O=[N+]([O-])C1=CC(Cl)=CC(C=NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1[O-]	REAL300019619205	0	31	-2.0	-102.01	311.01	6.80	-95.21
O=[N+]([O-])C1=CC(Cl)=CC(C=NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1[O-]	REAL300019619205	1	31	-2.0	-101.99	311.08	6.79	-95.20
O=[N+]([O-])C1=CC=C([O-])C(C=NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019619208	0	31	-2.0	-90.87	296.49	5.24	-85.63
O=[N+]([O-])C1=CC=C([O-])C(C=NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019619208	1	31	-2.0	-90.86	296.55	5.23	-85.63
[O-]C1=C(Cl)C=C(Cl)C=C1C=NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019619209	0	29	-2.0	-95.85	301.04	5.63	-90.22
[O-]C1=C(Cl)C=C(Cl)C=C1C=NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019619209	1	29	-2.0	-95.77	301.10	5.62	-90.15
O=[N+]([O-])C1=CC=C([O-])C(C=NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019619222	0	31	-2.0	-84.60	317.75	5.84	-78.76
O=[N+]([O-])C1=CC=C([O-])C(C=NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019619222	1	31	-2.0	-84.62	317.81	5.83	-78.79
CC(SC1=NN=N[N-]1)C(=O)[N-]C1=NC(C2=CC=C(F)C(F)=C2)=CS1	REAL300019619756	1	32	-2.0	-86.97	321.01	3.99	-82.98
CC(SC1=N[N-]N=N1)C(=O)[N-]C1=NC(C2=CC=C(F)C(F)=C2)=CS1	REAL300019619756	1	32	-2.0	-86.90	321.96	3.99	-82.91
CC(SC1=NN=N[N-]1)C(=O)[N-]C1=NC(C2=CC=CC([N+](=O)[O-])=C2)=CS1	REAL300019619828	1	34	-2.0	-94.53	336.57	4.54	-89.99
CC(SC1=N[N-]N=N1)C(=O)[N-]C1=NC(C2=CC=CC([N+](=O)[O-])=C2)=CS1	REAL300019619828	1	34	-2.0	-94.35	337.52	4.54	-89.81
O=C(CSC1=N[N-]N=N1)[N-]C(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300019619938	1	27	-2.0	-95.67	280.62	2.54	-93.13
O=C(CSC1=NN=N[N-]1)[N-]C(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300019619938	1	27	-2.0	-95.57	280.21	2.54	-93.03
COC1=CC=C(C2=CSC([N-]C(=O)C(C)SC3=NN=N[N-]3)=N2)C=C1	REAL300019620169	1	36	-2.0	-89.73	337.77	3.16	-86.57
COC1=CC=C(C2=CSC([N-]C(=O)C(C)SC3=N[N-]N=N3)=N2)C=C1	REAL300019620169	1	36	-2.0	-89.65	338.72	3.16	-86.49
CC(SC1=NN=N[N-]1)C(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1	REAL300019620196	1	32	-2.0	-85.92	314.72	3.93	-81.99
CC(SC1=N[N-]N=N1)C(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1	REAL300019620196	1	32	-2.0	-85.88	315.67	3.93	-81.95
CC(SC1=NN=N[N-]1)C(=O)[N-]C1=NC(C2=CC=CC=C2)=CS1	REAL300019620376	1	32	-2.0	-90.04	308.32	3.86	-86.18
CC(SC1=N[N-]N=N1)C(=O)[N-]C1=NC(C2=CC=CC=C2)=CS1	REAL300019620376	1	32	-2.0	-89.96	309.27	3.86	-86.10
CC(=O)NCC1=CC=C(S(=O)(=O)[N-]C(=O)CSC2=NN=N[N-]2)C=C1	REAL300019620398	0	36	-2.0	-99.63	353.93	-1.93	-101.56
CC(=O)NCC1=CC=C(S(=O)(=O)[N-]C(=O)CSC2=N[N-]N=N2)C=C1	REAL300019620398	1	36	-2.0	-99.68	354.34	-1.93	-101.61
CC(SC1=NN=N[N-]1)C(=O)[N-]C1=NC2=CC=C(F)C=C2S1	REAL300019620615	1	28	-2.0	-87.68	285.59	3.04	-84.64
CC(SC1=N[N-]N=N1)C(=O)[N-]C1=NC2=CC=C(F)C=C2S1	REAL300019620615	1	28	-2.0	-87.71	286.54	3.05	-84.66
CC(SC1=NN=N[N-]1)C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300019620657	1	28	-2.0	-94.84	279.17	2.98	-91.86
CC(SC1=N[N-]N=N1)C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300019620657	1	28	-2.0	-94.79	280.12	2.98	-91.81
CC1=C(C2=NN=C([N-]C(=O)CSC3=N[N-]N=N3)O2)SC=C1	REAL300019620845	0	28	-2.0	-96.25	290.03	-2.18	-98.43
CC1=C(C2=NN=C([N-]C(=O)CSC3=NN=N[N-]3)O2)SC=C1	REAL300019620845	1	28	-2.0	-96.30	289.62	-2.18	-98.48
CC1=CC=C(S(=O)(=O)[N-]C(=O)CSC2=NN=N[N-]2)C=C1	REAL300019621030	0	29	-2.0	-98.59	293.13	-0.27	-98.86
CC1=CC=C(S(=O)(=O)[N-]C(=O)CSC2=N[N-]N=N2)C=C1	REAL300019621030	1	29	-2.0	-98.56	293.54	-0.27	-98.83
CC1=C(C2=CC=CC=C2)N=C(SCCC2=NN=N[N-]2)[N-]C1=O	REAL300019621451	1	34	-2.0	-93.13	310.93	3.96	-89.17
CC1=C(C2=CC=CC=C2)N=C(SCCC2=N[N-]N=N2)[N-]C1=O	REAL300019621451	1	34	-2.0	-93.10	310.87	3.94	-89.16
O=C1C=C(C2=CC=CC=C2)N=C(SCCC2=NN=N[N-]2)[N-]1	REAL300019621513	1	31	-2.0	-92.67	292.88	3.57	-89.10
O=C1C=C(C2=CC=CC=C2)N=C(SCCC2=N[N-]N=N2)[N-]1	REAL300019621513	1	31	-2.0	-92.66	292.82	3.55	-89.11
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=O)[N-]C(SCCC1=N[N-]N=N1)=N2	REAL300019621532	1	45	-2.0	-89.07	381.17	3.04	-86.03
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=O)[N-]C(SCCC1=NN=N[N-]1)=N2	REAL300019621532	1	45	-2.0	-89.12	381.24	3.05	-86.07
O=C1[N-]C(SCCC2=N[N-]N=N2)=NC=C1CC1=CC=CC=C1	REAL300019621557	1	34	-2.0	-89.29	316.36	4.32	-84.97
O=C1[N-]C(SCCC2=NN=N[N-]2)=NC=C1CC1=CC=CC=C1	REAL300019621557	1	34	-2.0	-89.34	316.41	4.33	-85.01
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019623229	0	41	-2.0	-118.53	360.49	3.03	-115.50
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019623229	1	41	-2.0	-115.34	361.40	3.02	-112.32
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019623305	0	34	-2.0	-101.66	321.01	1.90	-99.76
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019623305	1	34	-2.0	-101.64	321.07	1.89	-99.75
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019624458	0	35	-2.0	-80.63	323.95	0.84	-79.79
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019624458	1	35	-2.0	-80.60	324.01	0.83	-79.77
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300019625778	0	36	-2.0	-91.38	340.25	1.12	-90.26
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300019625778	1	36	-2.0	-91.47	340.19	1.13	-90.34
O=C([N-]CC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1)C(F)(F)F	REAL300019625978	0	36	-2.0	-80.38	354.43	1.00	-79.38
O=C([N-]CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1)C(F)(F)F	REAL300019625978	1	36	-2.0	-80.36	354.50	0.99	-79.37
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019626223	0	30	-2.0	-89.20	304.14	-0.57	-89.77
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019626223	1	30	-2.0	-89.15	304.21	-0.57	-89.72
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019626318	0	32	-2.0	-116.54	302.61	5.70	-110.84
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019626318	1	32	-2.0	-116.47	302.68	5.69	-110.78
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(Cl)=C1[O-]	REAL300019626455	0	30	-2.0	-109.90	292.63	4.97	-104.93
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(Cl)=C1[O-]	REAL300019626455	1	30	-2.0	-109.85	292.69	4.96	-104.89
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019626509	0	30	-2.0	-110.17	298.96	5.01	-105.16
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019626509	1	30	-2.0	-110.13	299.03	5.00	-105.13
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)O2)[N-]1	REAL300019626628	1	36	-2.0	-85.99	340.20	3.27	-82.72
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)O2)[N-]1	REAL300019626628	1	36	-2.0	-85.98	340.26	3.26	-82.72
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(F)=C1[O-]	REAL300019626656	0	30	-2.0	-115.44	282.83	4.50	-110.94
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(F)=C1[O-]	REAL300019626656	1	30	-2.0	-115.41	282.89	4.50	-110.91
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019627333	0	33	-2.0	-110.32	314.05	5.47	-104.85
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019627333	1	33	-2.0	-110.27	314.11	5.47	-104.80
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019627503	0	35	-2.0	-92.15	322.41	2.46	-89.69
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019627503	1	35	-2.0	-92.11	322.47	2.44	-89.67
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019627539	0	35	-2.0	-100.21	328.02	2.69	-97.52
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019627539	1	35	-2.0	-100.13	328.08	2.68	-97.45
CN(C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300019628916	0	36	-2.0	-109.03	316.56	4.14	-104.89
CN(C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300019628916	1	36	-2.0	-108.95	316.71	4.14	-104.81
CSC1=NC(C)=C(CCC(=O)N(C)C2=N[N-]N=N2)C(=O)[N-]1	REAL300019629029	1	34	-2.0	-97.40	306.70	3.35	-94.05
CSC1=NC(C)=C(CCC(=O)N(C)C2=NN=N[N-]2)C(=O)[N-]1	REAL300019629029	1	34	-2.0	-97.40	306.56	3.39	-94.01
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C1=N[N-]N=N1	REAL300019629291	1	36	-2.0	-84.68	318.08	1.56	-83.12
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C1=NN=N[N-]1	REAL300019629291	1	36	-2.0	-84.69	317.93	1.58	-83.11
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL300019629827	0	34	-2.0	-109.16	293.25	3.18	-105.98
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL300019629827	1	34	-2.0	-109.26	293.11	3.21	-106.05
CN(C(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=N[N-]N=N1	REAL300019631400	0	29	-2.0	-80.48	285.50	1.37	-79.11
CN(C(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=NN=N[N-]1	REAL300019631400	1	29	-2.0	-80.54	285.35	1.39	-79.15
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL300019633219	0	33	-2.0	-105.27	301.20	3.12	-102.15
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL300019633219	1	33	-2.0	-105.34	301.10	3.14	-102.20
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL300019633557	1	33	-2.0	-84.30	301.26	0.12	-84.18
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL300019633557	1	33	-2.0	-84.29	301.37	0.10	-84.19
O=C(NC1=N[N-]N=N1)C([N-]S(=O)(=O)C1=CC=CC(Cl)=C1)C1=CC=CC=C1	REAL300019635867	1	37	-2.0	-102.61	355.25	4.17	-98.44
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636050	1	39	-2.0	-101.30	353.19	4.27	-97.03
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636050	1	39	-2.0	-101.32	353.21	4.27	-97.05
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636051	1	36	-2.0	-101.05	337.75	3.50	-97.55
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636051	1	36	-2.0	-101.10	337.78	3.50	-97.60
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2OCCC2=C1	REAL300019636052	1	35	-2.0	-96.46	318.91	2.69	-93.77
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=CC=C1F	REAL300019636054	0	30	-2.0	-104.92	291.47	3.12	-101.80
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=CC=C1F	REAL300019636054	1	30	-2.0	-105.01	291.49	3.12	-101.89
O=[N+]([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[O-]	REAL300019636055	0	33	-2.0	-88.70	319.18	2.52	-86.18
O=[N+]([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[O-]	REAL300019636055	1	33	-2.0	-88.66	319.15	2.52	-86.14
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[O-]	REAL300019636055	1	32	-3.0	-148.99	316.43	2.56	-146.43
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)N=C1	REAL300019636056	0	29	-2.0	-88.63	294.84	1.47	-87.16
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)N=C1	REAL300019636056	1	29	-2.0	-88.64	294.86	1.48	-87.16
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636057	1	31	-2.0	-95.00	303.81	3.23	-91.77
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636057	1	31	-2.0	-95.00	303.83	3.24	-91.76
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636058	1	31	-2.0	-90.96	303.79	3.23	-87.73
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636058	1	31	-2.0	-90.97	303.81	3.24	-87.73
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1F	REAL300019636059	0	30	-2.0	-94.32	305.20	3.42	-90.90
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1F	REAL300019636059	1	30	-2.0	-94.38	305.22	3.43	-90.95
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636060	0	31	-2.0	-104.97	301.07	3.14	-101.83
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636060	1	31	-2.0	-105.00	301.09	3.14	-101.86
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1Br	REAL300019636061	1	33	-2.0	-92.51	322.47	4.03	-88.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1Br	REAL300019636061	1	33	-2.0	-92.52	322.49	4.03	-88.49
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1Br	REAL300019636062	0	30	-2.0	-98.37	299.46	3.53	-94.84
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1Br	REAL300019636062	1	30	-2.0	-98.38	299.48	3.54	-94.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1NC(C)=O	REAL300019636063	1	41	-2.0	-110.37	367.04	1.17	-109.20
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019636064	1	34	-2.0	-90.53	328.95	2.64	-87.89
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1F	REAL300019636065	0	33	-2.0	-93.91	318.71	3.39	-90.52
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019636065	1	33	-2.0	-93.91	318.67	3.39	-90.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019636065	1	32	-3.0	-161.32	315.96	3.43	-157.89
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C([N+](=O)[O-])=C1	REAL300019636067	0	34	-2.0	-93.67	332.31	4.92	-88.75
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C([N+](=O)[O-])=C1	REAL300019636067	1	34	-2.0	-93.75	332.33	4.92	-88.83
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2OCCCOC2=C1	REAL300019636068	1	39	-2.0	-96.77	345.81	2.78	-93.99
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300019636069	0	35	-2.0	-95.44	329.87	4.13	-91.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[N+](=O)[O-]	REAL300019636069	1	35	-2.0	-95.45	329.89	4.14	-91.31
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636070	0	33	-2.0	-92.97	299.18	0.67	-92.30
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636070	1	33	-2.0	-92.96	299.20	0.67	-92.29
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Br)S1	REAL300019636071	0	27	-2.0	-90.59	296.57	2.56	-88.03
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Br)S1	REAL300019636071	1	27	-2.0	-90.62	296.59	2.57	-88.05
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019636072	0	36	-2.0	-94.51	342.70	5.35	-89.16
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019636072	1	36	-2.0	-94.49	342.72	5.35	-89.14
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2CCCCC2)C=C1	REAL300019636074	1	46	-2.0	-96.76	384.85	6.64	-90.12
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300019636075	1	33	-2.0	-90.25	321.72	3.84	-86.41
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300019636075	1	33	-2.0	-90.20	321.75	3.85	-86.35
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2CCCCC2=C1	REAL300019636076	1	40	-2.0	-99.40	345.71	5.33	-94.07
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636077	0	33	-2.0	-95.53	317.92	3.28	-92.25
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636077	1	33	-2.0	-95.60	317.89	3.29	-92.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636077	1	32	-3.0	-150.09	311.42	3.41	-146.68
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636078	0	38	-2.0	-106.00	340.71	1.92	-104.08
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636078	1	38	-2.0	-106.04	340.73	1.92	-104.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1OC	REAL300019636079	1	38	-2.0	-96.46	341.69	2.05	-94.41
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2CCCC2=C1	REAL300019636080	1	37	-2.0	-99.54	328.50	4.75	-94.79
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636081	0	32	-2.0	-88.35	296.05	1.79	-86.56
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636081	1	32	-2.0	-88.41	296.07	1.80	-86.61
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C(Cl)=C1	REAL300019636082	1	30	-2.0	-89.36	314.88	3.82	-85.54
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C(Cl)=C1	REAL300019636082	1	30	-2.0	-89.36	314.90	3.82	-85.54
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636083	0	33	-2.0	-91.72	317.93	3.27	-88.45
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636083	1	33	-2.0	-91.72	317.91	3.28	-88.44
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636083	1	32	-3.0	-164.32	311.45	3.40	-160.92
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636083	1	32	-3.0	-164.31	311.47	3.40	-160.91
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(F)=C1	REAL300019636084	1	30	-2.0	-88.61	295.67	2.96	-85.65
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(F)=C1	REAL300019636084	1	30	-2.0	-88.65	295.69	2.96	-85.69
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC=C1Cl	REAL300019636085	0	30	-2.0	-94.51	312.83	3.93	-90.58
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC=C1Cl	REAL300019636085	1	30	-2.0	-94.55	312.85	3.93	-90.62
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300019636086	1	33	-2.0	-94.24	321.70	3.83	-90.41
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300019636086	1	33	-2.0	-94.30	321.72	3.85	-90.45
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636087	1	33	-2.0	-98.73	304.37	3.50	-95.23
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636087	1	33	-2.0	-98.71	304.40	3.51	-95.20
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1C(F)(F)F	REAL300019636089	0	33	-2.0	-100.73	308.84	4.22	-96.51
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1C(F)(F)F	REAL300019636089	1	33	-2.0	-100.73	308.87	4.23	-96.50
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1	REAL300019636090	1	30	-2.0	-94.64	299.70	3.35	-91.29
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1	REAL300019636090	1	30	-2.0	-94.70	299.72	3.36	-91.34
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636091	0	35	-2.0	-96.84	325.72	3.33	-93.51
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636091	1	35	-2.0	-96.90	325.74	3.33	-93.57
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636092	1	36	-2.0	-98.85	319.87	4.29	-94.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019636093	1	36	-2.0	-99.48	321.40	4.05	-95.43
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(Cl)=C1	REAL300019636094	1	30	-2.0	-88.81	305.56	3.41	-85.40
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(Cl)=C1	REAL300019636094	1	30	-2.0	-88.83	305.58	3.41	-85.42
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636095	1	35	-2.0	-107.48	324.24	3.24	-104.24
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636095	1	35	-2.0	-107.47	324.26	3.25	-104.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1	REAL300019636096	1	36	-2.0	-98.56	319.46	4.29	-94.27
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636097	0	36	-2.0	-110.07	328.21	4.22	-105.85
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636097	1	36	-2.0	-110.09	328.23	4.23	-105.86
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636098	0	39	-2.0	-92.69	359.59	4.43	-88.26
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636098	1	39	-2.0	-92.72	359.62	4.43	-88.29
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1Cl	REAL300019636099	0	30	-2.0	-96.07	311.29	3.86	-92.21
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1Cl	REAL300019636099	1	30	-2.0	-96.08	311.31	3.86	-92.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300019636100	1	36	-2.0	-95.61	338.49	3.59	-92.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[N+](=O)[O-]	REAL300019636100	1	36	-2.0	-95.58	338.51	3.59	-91.99
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636101	1	42	-2.0	-97.26	359.19	5.17	-92.09
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636102	1	39	-2.0	-97.31	343.20	4.76	-92.55
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636103	1	42	-2.0	-97.16	361.65	5.42	-91.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636104	0	36	-3.0	-170.25	339.57	3.20	-167.05
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636104	1	36	-3.0	-170.24	339.60	3.20	-167.04
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636105	0	37	-2.0	-95.13	345.54	4.68	-90.45
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636105	1	37	-2.0	-95.17	345.51	4.69	-90.48
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636105	1	36	-3.0	-150.12	342.88	4.70	-145.42
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C=CC=C1Cl	REAL300019636106	0	30	-2.0	-98.89	306.57	4.16	-94.73
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C=CC=C1Cl	REAL300019636106	1	30	-2.0	-98.83	306.59	4.16	-94.67
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)S1	REAL300019636107	0	27	-2.0	-90.42	291.94	2.46	-87.96
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)S1	REAL300019636107	1	27	-2.0	-90.45	291.96	2.46	-87.99
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636108	1	39	-2.0	-97.22	347.36	5.06	-92.16
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636109	0	34	-2.0	-104.55	311.23	2.63	-101.92
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636109	1	34	-2.0	-104.56	311.25	2.63	-101.93
CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636110	0	36	-2.0	-110.87	337.77	3.91	-106.96
CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636110	1	36	-2.0	-110.95	337.75	3.92	-107.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636110	1	35	-3.0	-166.99	331.52	4.05	-162.94
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636111	0	41	-2.0	-104.52	367.31	1.52	-103.00
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636111	1	41	-2.0	-104.51	367.33	1.52	-102.99
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(F)=C1F	REAL300019636112	0	30	-2.0	-92.29	301.07	3.03	-89.26
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(F)=C1F	REAL300019636112	1	30	-2.0	-92.31	301.09	3.03	-89.28
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC(Cl)=C1	REAL300019636113	0	30	-2.0	-89.63	316.43	3.87	-85.76
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC(Cl)=C1	REAL300019636113	1	30	-2.0	-89.71	316.45	3.87	-85.84
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1Cl	REAL300019636114	0	30	-2.0	-98.97	296.10	3.40	-95.57
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1Cl	REAL300019636114	1	30	-2.0	-99.00	296.13	3.41	-95.59
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Br)=C1	REAL300019636115	1	30	-2.0	-94.58	304.26	3.46	-91.12
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Br)=C1	REAL300019636115	1	30	-2.0	-94.55	304.29	3.47	-91.08
O=[N+]([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636116	0	32	-2.0	-95.27	311.20	3.50	-91.77
O=[N+]([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636116	1	32	-2.0	-95.26	311.23	3.52	-91.74
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636117	0	35	-2.0	-95.41	326.68	4.28	-91.13
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636117	1	35	-2.0	-95.38	326.70	4.29	-91.09
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1Cl	REAL300019636118	0	32	-2.0	-89.58	323.64	3.89	-85.69
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1Cl	REAL300019636118	1	32	-2.0	-89.64	323.66	3.89	-85.75
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CS1	REAL300019636119	0	27	-2.0	-95.86	274.90	1.84	-94.02
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CS1	REAL300019636119	1	27	-2.0	-95.88	274.92	1.85	-94.03
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636120	1	34	-2.0	-95.90	312.45	2.14	-93.76
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636121	0	32	-2.0	-109.32	301.51	4.23	-105.09
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636121	1	32	-2.0	-109.38	301.54	4.23	-105.15
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636122	0	32	-3.0	-160.24	324.50	3.97	-156.27
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636122	1	32	-3.0	-160.24	324.52	3.98	-156.26
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1Cl	REAL300019636123	0	33	-2.0	-90.78	326.67	3.76	-87.02
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1Cl	REAL300019636123	1	33	-2.0	-90.79	326.65	3.76	-87.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1Cl	REAL300019636123	1	32	-3.0	-159.94	323.94	3.79	-156.15
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1Cl	REAL300019636123	1	32	-3.0	-159.96	323.96	3.80	-156.16
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636124	1	33	-2.0	-98.16	304.39	3.52	-94.64
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636125	1	37	-2.0	-95.46	334.32	3.07	-92.39
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1F	REAL300019636126	0	30	-2.0	-93.72	294.87	2.97	-90.75
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1F	REAL300019636126	1	30	-2.0	-93.75	294.90	2.97	-90.78
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1	REAL300019636127	0	30	-2.0	-94.78	289.37	2.90	-91.88
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(F)=C1	REAL300019636127	1	30	-2.0	-94.84	289.40	2.91	-91.93
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC(F)=C1	REAL300019636128	0	30	-2.0	-89.00	295.79	2.98	-86.02
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC(F)=C1	REAL300019636128	1	30	-2.0	-89.00	295.81	2.98	-86.02
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019636129	1	42	-2.0	-98.25	346.48	5.53	-92.72
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2OCCOC2=C1	REAL300019636130	1	36	-2.0	-98.12	327.46	2.00	-96.12
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636132	1	45	-2.0	-99.88	374.67	5.94	-93.94
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300019636133	1	30	-2.0	-91.71	299.69	3.36	-88.35
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300019636133	1	30	-2.0	-91.76	299.72	3.36	-88.40
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Br)C=C1	REAL300019636134	1	30	-2.0	-91.63	304.26	3.47	-88.16
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Br)C=C1	REAL300019636134	1	30	-2.0	-91.62	304.28	3.47	-88.15
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636135	0	32	-2.0	-86.93	311.20	3.50	-83.43
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636135	1	32	-2.0	-86.98	311.22	3.52	-83.46
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019636136	1	30	-2.0	-98.10	282.98	2.83	-95.27
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019636136	1	30	-2.0	-98.11	283.00	2.84	-95.27
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636137	1	37	-2.0	-103.40	339.31	1.73	-101.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636138	0	30	-2.0	-96.98	296.79	2.64	-94.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636138	1	30	-2.0	-97.07	296.81	2.64	-94.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300019636139	0	39	-2.0	-110.79	346.50	4.68	-106.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019636139	1	39	-2.0	-110.80	346.47	4.69	-106.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019636139	1	38	-3.0	-167.28	343.83	4.71	-162.57
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636140	0	34	-2.0	-97.77	327.96	3.15	-94.62
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636140	1	34	-2.0	-97.84	327.98	3.15	-94.69
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636141	1	33	-2.0	-94.81	319.75	4.24	-90.57
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636141	1	33	-2.0	-94.80	319.77	4.24	-90.56
O=[N+]([O-])C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636142	0	32	-2.0	-100.01	318.24	4.75	-95.26
O=[N+]([O-])C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636142	1	32	-2.0	-100.06	318.26	4.75	-95.31
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636143	0	32	-3.0	-161.55	316.91	3.46	-158.09
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636143	1	32	-3.0	-161.51	316.93	3.47	-158.04
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)SC(Cl)=C1	REAL300019636144	0	27	-2.0	-89.65	305.81	3.00	-86.65
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)SC(Cl)=C1	REAL300019636144	1	27	-2.0	-89.66	305.84	3.00	-86.66
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636145	1	45	-2.0	-97.13	386.42	6.35	-90.78
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636146	0	35	-2.0	-92.96	323.59	4.24	-88.72
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636146	1	35	-2.0	-93.00	323.61	4.24	-88.76
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC=C1F	REAL300019636147	0	30	-2.0	-97.07	294.87	2.97	-94.10
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC=C1F	REAL300019636147	1	30	-2.0	-97.10	294.89	2.97	-94.13
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636148	0	39	-2.0	-93.50	357.65	4.96	-88.54
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636148	1	39	-2.0	-93.57	357.63	4.97	-88.60
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636148	1	38	-3.0	-149.58	354.99	4.99	-144.59
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636148	1	38	-3.0	-149.64	355.02	4.99	-144.65
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636149	1	40	-2.0	-103.12	359.61	2.55	-100.57
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2N1	REAL300019636150	1	34	-2.0	-93.94	318.71	-0.34	-94.28
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2N1	REAL300019636150	1	34	-2.0	-93.97	318.73	-0.34	-94.31
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300019636151	1	37	-2.0	-95.27	353.89	3.53	-91.74
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636152	1	34	-2.0	-95.63	323.16	3.86	-91.77
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2N1	REAL300019636153	1	35	-2.0	-94.84	325.01	1.29	-93.55
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C2N1	REAL300019636153	1	35	-2.0	-94.84	325.03	1.30	-93.54
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2N1	REAL300019636154	1	38	-2.0	-95.87	342.79	2.03	-93.84
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1OCC	REAL300019636155	1	44	-2.0	-96.35	385.40	3.89	-92.46
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636157	0	29	-3.0	-157.15	304.62	2.42	-154.73
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636157	1	29	-3.0	-157.17	304.64	2.43	-154.74
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2O1	REAL300019636158	1	33	-2.0	-93.56	314.71	0.35	-93.21
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2O1	REAL300019636158	1	33	-2.0	-93.59	314.73	0.35	-93.24
COC(=O)CCS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636159	1	32	-2.0	-93.22	301.65	1.42	-91.80
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636160	0	36	-2.0	-109.13	326.37	3.75	-105.38
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636160	1	36	-2.0	-109.13	326.35	3.76	-105.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636160	1	35	-3.0	-165.48	326.87	4.19	-161.29
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636161	0	36	-2.0	-96.19	320.59	1.92	-94.27
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636161	1	36	-2.0	-96.23	320.61	1.92	-94.31
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636162	0	38	-2.0	-102.07	359.58	-1.00	-103.07
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636162	1	38	-2.0	-102.07	359.61	-0.99	-103.06
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019636163	0	38	-2.0	-94.92	343.68	4.82	-90.10
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300019636163	1	38	-2.0	-94.94	343.71	4.83	-90.11
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2CC1C	REAL300019636164	1	44	-2.0	-105.12	377.35	4.41	-100.71
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2CC1C	REAL300019636164	1	44	-2.0	-105.08	377.37	4.42	-100.66
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636165	0	36	-2.0	-93.07	337.73	3.51	-89.56
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636165	1	36	-2.0	-93.07	337.75	3.51	-89.56
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636166	0	37	-2.0	-97.23	339.40	1.12	-96.11
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636166	1	37	-2.0	-97.25	339.42	1.12	-96.13
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636167	0	35	-2.0	-98.24	337.20	-2.20	-100.44
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636167	1	35	-2.0	-98.20	337.23	-2.20	-100.40
O=C1CCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636168	1	41	-2.0	-104.24	360.78	3.96	-100.28
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019636169	1	44	-2.0	-107.98	374.54	4.41	-103.57
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019636169	1	44	-2.0	-108.03	374.57	4.41	-103.62
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636170	0	39	-2.0	-106.46	355.09	4.52	-101.94
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636170	1	39	-2.0	-106.47	355.12	4.53	-101.94
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636171	0	34	-2.0	-97.26	317.47	-0.38	-97.64
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636171	1	34	-2.0	-97.29	317.49	-0.38	-97.67
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019636172	1	41	-2.0	-105.81	363.55	3.97	-101.84
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019636172	1	41	-2.0	-105.84	363.58	3.97	-101.87
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636173	1	36	-2.0	-97.59	325.86	4.28	-93.31
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2C=C1	REAL300019636174	1	36	-2.0	-100.37	328.92	5.12	-95.25
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2C=C1	REAL300019636174	1	36	-2.0	-100.33	328.94	5.13	-95.20
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=CS1	REAL300019636175	0	33	-2.0	-106.68	322.55	3.14	-103.54
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=CS1	REAL300019636175	1	33	-2.0	-106.72	322.57	3.14	-103.58
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636176	1	40	-2.0	-96.65	359.53	3.35	-93.30
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636178	0	37	-2.0	-94.89	345.16	3.66	-91.23
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636178	1	37	-2.0	-94.88	345.13	3.67	-91.21
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636178	1	36	-3.0	-148.90	342.50	3.69	-145.21
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019636179	1	44	-2.0	-98.25	388.02	3.08	-95.17
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300019636180	1	41	-2.0	-99.00	367.18	6.96	-92.04
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300019636180	1	41	-2.0	-98.96	367.21	6.96	-92.00
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636181	1	42	-2.0	-97.47	364.13	5.52	-91.95
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1	REAL300019636182	1	30	-2.0	-91.11	289.37	2.91	-88.20
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1F	REAL300019636183	0	30	-2.0	-101.85	288.47	2.89	-98.96
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1F	REAL300019636183	1	30	-2.0	-101.93	288.49	2.91	-99.02
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=C(Cl)C=C2N1	REAL300019636185	0	35	-2.0	-94.85	338.09	1.85	-93.00
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=C(Cl)C=C2N1	REAL300019636185	1	35	-2.0	-94.87	338.11	1.85	-93.02
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C2=NC=CC=C12	REAL300019636186	0	35	-2.0	-94.12	325.35	3.35	-90.77
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C2=NC=CC=C12	REAL300019636186	1	35	-2.0	-94.15	325.37	3.35	-90.80
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636187	0	36	-2.0	-110.17	335.82	1.43	-108.74
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636187	1	36	-2.0	-110.17	335.84	1.43	-108.74
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=C2N=C1	REAL300019636188	0	38	-2.0	-112.97	344.31	4.11	-108.86
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=C2N=C1	REAL300019636188	1	38	-2.0	-112.97	344.33	4.11	-108.86
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636189	1	40	-2.0	-95.00	355.81	3.87	-91.13
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=C1	REAL300019636190	0	33	-2.0	-98.71	317.51	4.07	-94.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=C1	REAL300019636190	1	33	-2.0	-98.74	317.53	4.07	-94.67
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300019636191	0	34	-2.0	-99.97	327.71	3.11	-96.86
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300019636191	1	34	-2.0	-100.01	327.74	3.12	-96.89
O=C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2N1	REAL300019636192	1	36	-2.0	-94.55	333.71	0.08	-94.47
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636193	0	35	-2.0	-101.47	337.21	-2.21	-103.68
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636193	1	35	-2.0	-101.49	337.24	-2.20	-103.69
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019636194	1	38	-2.0	-94.99	346.27	3.29	-91.70
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019636194	1	38	-2.0	-94.99	346.29	3.29	-91.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C([N+](=O)[O-])=C1	REAL300019636195	0	36	-2.0	-104.65	330.98	3.54	-101.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C([N+](=O)[O-])=C1	REAL300019636195	1	36	-2.0	-104.71	331.01	3.53	-101.18
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2NC1=O	REAL300019636196	1	36	-2.0	-94.28	339.54	-0.16	-94.44
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2NC1=O	REAL300019636196	1	36	-2.0	-94.34	339.56	-0.16	-94.50
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C1=O	REAL300019636197	0	37	-2.0	-92.12	348.60	2.10	-90.02
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C1=O	REAL300019636197	1	37	-2.0	-92.11	348.63	2.10	-90.01
O=C1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2O1	REAL300019636198	1	35	-2.0	-92.02	330.65	4.34	-87.68
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019636199	1	36	-2.0	-94.96	337.08	2.80	-92.16
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019636199	1	36	-2.0	-94.92	337.10	2.80	-92.12
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019636200	1	34	-2.0	-92.41	328.96	2.64	-89.77
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019636200	1	34	-2.0	-92.49	328.98	2.64	-89.85
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636201	0	36	-2.0	-101.90	343.67	0.36	-101.54
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636201	1	36	-2.0	-101.91	343.69	0.37	-101.54
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636202	1	33	-2.0	-91.25	304.85	3.68	-87.57
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636203	0	38	-2.0	-97.54	359.57	-0.99	-98.53
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636203	1	38	-2.0	-97.59	359.60	-0.99	-98.58
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1C1=CC=CC=C1	REAL300019636204	0	40	-2.0	-100.46	352.85	6.72	-93.74
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1C1=CC=CC=C1	REAL300019636204	1	40	-2.0	-100.48	352.85	6.72	-93.76
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1Cl	REAL300019636205	0	30	-2.0	-91.39	302.50	3.47	-87.92
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1Cl	REAL300019636205	1	30	-2.0	-91.44	302.52	3.48	-87.96
O=C(C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CN1)N1CCCC1	REAL300019636206	0	42	-2.0	-104.29	368.90	2.17	-102.12
O=C(C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CN1)N1CCCC1	REAL300019636206	1	42	-2.0	-104.23	368.92	2.17	-102.06
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019636207	0	37	-2.0	-107.65	344.54	1.80	-105.85
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019636207	1	37	-2.0	-107.69	344.56	1.80	-105.89
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636208	0	36	-2.0	-104.99	343.67	0.36	-104.63
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636208	1	36	-2.0	-105.05	343.69	0.37	-104.68
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300019636209	1	39	-2.0	-98.32	357.17	5.54	-92.78
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300019636209	1	39	-2.0	-98.30	357.19	5.54	-92.76
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1OC	REAL300019636211	0	38	-2.0	-97.96	347.18	2.11	-95.85
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1OC	REAL300019636211	1	38	-2.0	-97.99	347.20	2.11	-95.88
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1OC	REAL300019636212	1	41	-2.0	-96.86	357.14	2.82	-94.04
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636213	0	33	-3.0	-162.03	318.08	2.76	-159.27
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636213	1	33	-3.0	-162.01	318.10	2.76	-159.25
CN1C=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636213	1	34	-2.0	-92.47	324.52	2.62	-89.85
CN1C=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636213	1	34	-2.0	-92.45	324.54	2.62	-89.83
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019636214	0	30	-2.0	-104.08	300.44	2.41	-101.67
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019636214	1	30	-2.0	-104.13	300.46	2.42	-101.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(Br)=C1	REAL300019636215	0	33	-2.0	-98.09	320.87	4.21	-93.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(Br)=C1	REAL300019636215	1	33	-2.0	-98.15	320.89	4.21	-93.94
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(N)=O	REAL300019636216	0	35	-2.0	-96.14	325.18	-1.00	-97.14
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(N)=O	REAL300019636216	1	35	-2.0	-96.12	325.20	-1.00	-97.12
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636217	0	37	-2.0	-110.34	337.53	2.22	-108.12
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636217	1	37	-2.0	-110.26	337.50	2.23	-108.03
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636218	0	36	-2.0	-100.24	350.83	4.06	-96.18
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636218	1	36	-2.0	-100.23	350.85	4.06	-96.17
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636219	1	41	-2.0	-97.58	367.93	2.34	-95.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019636220	1	34	-2.0	-94.33	328.49	2.70	-91.63
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636221	1	34	-2.0	-94.23	318.69	2.22	-92.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636221	1	34	-2.0	-94.27	318.71	2.22	-92.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019636222	1	37	-2.0	-96.78	332.54	2.89	-93.89
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019636223	1	40	-2.0	-96.38	354.40	3.81	-92.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(N)=O	REAL300019636224	1	37	-2.0	-93.08	333.57	0.30	-92.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(N)=O	REAL300019636224	1	37	-2.0	-93.12	333.59	0.31	-92.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(N)=O	REAL300019636225	1	38	-2.0	-94.83	344.79	0.22	-94.61
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636226	0	30	-2.0	-94.94	287.52	0.55	-94.39
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636226	1	30	-2.0	-94.95	287.54	0.56	-94.39
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636227	0	35	-2.0	-86.98	326.68	4.29	-82.69
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636227	1	35	-2.0	-86.96	326.70	4.29	-82.67
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CN1C	REAL300019636229	0	38	-2.0	-96.56	347.16	0.49	-96.07
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CN1C	REAL300019636229	1	38	-2.0	-96.56	347.18	0.49	-96.07
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636230	1	33	-2.0	-94.93	315.18	4.14	-90.79
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636230	1	33	-2.0	-94.93	315.20	4.14	-90.79
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636231	1	43	-2.0	-95.09	375.91	4.56	-90.53
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=N2)C=C1	REAL300019636232	0	40	-2.0	-95.61	364.94	4.63	-90.98
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=N2)C=C1	REAL300019636232	1	40	-2.0	-95.64	364.96	4.64	-91.00
O=S(=O)(CCOC1=CC=C(F)C=C1)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636233	1	37	-2.0	-91.04	342.48	3.26	-87.78
O=C1CCCC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2N1	REAL300019636234	1	41	-2.0	-96.86	358.54	2.97	-93.89
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019636235	1	40	-2.0	-96.44	356.55	3.73	-92.71
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C3=CC=CC1=C23	REAL300019636236	0	38	-2.0	-96.97	346.51	2.70	-94.27
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C3=CC=CC1=C23	REAL300019636236	1	38	-2.0	-96.98	346.53	2.70	-94.28
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636237	0	32	-3.0	-152.95	320.56	3.09	-149.86
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636237	1	32	-3.0	-153.01	320.59	3.09	-149.92
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019636238	0	31	-2.0	-88.07	319.19	3.65	-84.42
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019636238	1	31	-2.0	-88.11	319.21	3.65	-84.46
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1Cl	REAL300019636239	1	31	-2.0	-88.73	319.19	3.65	-85.08
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1Cl	REAL300019636239	1	31	-2.0	-88.78	319.22	3.65	-85.13
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636240	0	39	-2.0	-110.43	345.87	4.37	-106.06
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636240	1	39	-2.0	-110.41	345.84	4.37	-106.04
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636240	1	38	-3.0	-166.95	342.89	4.73	-162.22
O=C1OCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019636241	1	34	-2.0	-102.57	321.34	3.21	-99.36
O=C1OCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019636241	1	34	-2.0	-102.57	321.36	3.21	-99.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CN=C12	REAL300019636242	1	39	-2.0	-99.84	348.28	2.63	-97.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CN=C12	REAL300019636242	1	39	-2.0	-99.92	348.30	2.63	-97.29
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019636243	1	33	-2.0	-95.26	318.45	3.94	-91.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019636243	1	33	-2.0	-95.26	318.47	3.95	-91.31
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1F	REAL300019636244	0	30	-2.0	-98.77	304.63	3.41	-95.36
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1F	REAL300019636244	1	30	-2.0	-98.69	304.65	3.41	-95.28
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1Br	REAL300019636245	0	30	-2.0	-90.88	305.85	3.62	-87.26
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1Br	REAL300019636245	1	30	-2.0	-90.90	305.88	3.62	-87.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1OC(C)C	REAL300019636246	1	43	-2.0	-96.48	372.33	4.44	-92.04
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636247	0	36	-2.0	-92.36	339.44	3.29	-89.07
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636247	1	36	-2.0	-92.40	339.46	3.31	-89.09
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CC=C12	REAL300019636248	1	40	-2.0	-102.94	352.34	4.50	-98.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C12	REAL300019636248	1	40	-2.0	-102.93	352.36	4.50	-98.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636249	1	33	-2.0	-95.11	309.70	3.55	-91.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636249	1	33	-2.0	-95.11	309.72	3.55	-91.56
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636250	1	33	-2.0	-91.87	315.18	4.13	-87.74
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636251	0	33	-2.0	-102.07	309.88	3.56	-98.51
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636251	1	33	-2.0	-102.09	309.90	3.57	-98.52
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636252	1	33	-2.0	-95.15	304.85	3.68	-91.47
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636252	1	33	-2.0	-95.14	304.87	3.68	-91.46
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(CCCl)C=C1	REAL300019636253	1	36	-2.0	-96.51	343.01	4.91	-91.60
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636254	0	35	-2.0	-109.64	316.41	5.14	-104.50
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636254	1	35	-2.0	-109.70	316.43	5.14	-104.56
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=C(F)C=C2N1	REAL300019636255	0	38	-2.0	-98.48	348.27	2.09	-96.39
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=C(F)C=C2N1	REAL300019636255	1	38	-2.0	-98.45	348.30	2.09	-96.36
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C(F)(F)F)=C1	REAL300019636256	0	34	-2.0	-92.62	329.56	4.62	-88.00
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C(F)(F)F)=C1	REAL300019636256	1	34	-2.0	-92.73	329.59	4.63	-88.10
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636257	1	40	-2.0	-107.58	355.12	2.70	-104.88
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636257	1	40	-2.0	-107.60	355.14	2.70	-104.90
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OC2CCCC2)C=C1	REAL300019636258	1	44	-2.0	-95.12	377.62	5.06	-90.06
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636259	0	38	-2.0	-113.27	344.23	4.12	-109.15
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636259	1	38	-2.0	-113.25	344.26	4.13	-109.12
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636260	1	46	-2.0	-94.73	394.87	5.17	-89.56
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636261	1	40	-2.0	-99.27	368.81	3.77	-95.50
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300019636262	0	29	-3.0	-159.03	303.08	2.43	-156.60
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300019636262	1	29	-3.0	-159.04	303.10	2.44	-156.60
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300019636262	1	30	-2.0	-107.08	305.78	2.41	-104.67
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300019636262	1	30	-2.0	-107.09	305.80	2.41	-104.68
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019636263	0	33	-2.0	-99.48	325.34	4.73	-94.75
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019636263	1	33	-2.0	-99.53	325.36	4.74	-94.79
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636264	1	39	-2.0	-104.41	359.17	1.14	-103.27
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636264	1	39	-2.0	-104.42	359.19	1.14	-103.28
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=C1	REAL300019636265	0	32	-2.0	-86.94	324.32	4.08	-82.86
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=C1	REAL300019636265	1	32	-2.0	-86.97	324.35	4.08	-82.89
COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636266	0	37	-2.0	-116.01	345.21	3.34	-112.67
COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636266	1	37	-2.0	-116.10	345.18	3.35	-112.75
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636266	1	36	-3.0	-170.33	338.72	3.47	-166.86
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CN=C2C=C1	REAL300019636267	0	38	-2.0	-98.52	333.05	4.22	-94.30
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CN=C2C=C1	REAL300019636267	1	38	-2.0	-98.58	333.07	4.22	-94.36
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Br)C=CS1	REAL300019636268	0	27	-2.0	-95.90	295.28	2.40	-93.50
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Br)C=CS1	REAL300019636268	1	27	-2.0	-95.90	295.30	2.41	-93.49
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1O	REAL300019636269	1	37	-2.0	-94.56	346.58	1.53	-93.03
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636270	1	43	-2.0	-105.97	386.65	2.64	-103.33
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636270	1	43	-2.0	-106.04	386.67	2.64	-103.40
O=[N+]([O-])C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636271	0	32	-2.0	-102.83	307.91	4.30	-98.53
O=[N+]([O-])C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636271	1	32	-2.0	-102.85	307.93	4.30	-98.55
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636272	0	43	-2.0	-109.87	367.69	5.58	-104.29
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636272	1	43	-2.0	-109.84	367.67	5.58	-104.26
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636272	1	42	-3.0	-169.73	366.66	6.03	-163.70
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636272	1	42	-3.0	-169.68	366.68	6.03	-163.65
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636273	0	42	-2.0	-107.95	365.73	4.99	-102.96
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636273	1	42	-2.0	-108.03	365.71	4.99	-103.04
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636273	1	41	-3.0	-168.32	365.33	5.42	-162.90
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636273	1	41	-3.0	-168.27	365.35	5.42	-162.85
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019636274	1	40	-2.0	-98.02	357.16	6.26	-91.76
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019636274	1	40	-2.0	-98.05	357.18	6.26	-91.79
O=[N+]([O-])C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636275	0	32	-2.0	-104.88	316.30	4.21	-100.67
O=[N+]([O-])C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636275	1	32	-2.0	-104.94	316.33	4.22	-100.72
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636276	0	39	-2.0	-106.17	362.99	1.36	-104.81
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636276	1	39	-2.0	-106.20	363.02	1.36	-104.84
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636277	1	41	-2.0	-106.84	373.72	2.51	-104.33
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636277	1	41	-2.0	-106.89	373.75	2.51	-104.38
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636280	1	41	-2.0	-107.50	371.03	2.82	-104.68
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636280	1	41	-2.0	-107.52	371.05	2.82	-104.70
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636281	0	34	-2.0	-100.77	314.16	1.21	-99.56
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636281	1	34	-2.0	-100.78	314.18	1.21	-99.57
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636282	0	39	-2.0	-108.54	343.82	4.60	-103.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636282	1	39	-2.0	-108.51	343.81	4.61	-103.90
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636282	1	38	-3.0	-164.46	341.58	5.13	-159.33
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)N=C2C=CC=CN21	REAL300019636283	0	33	-2.0	-100.71	322.49	3.74	-96.97
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)N=C2C=CC=CN21	REAL300019636283	1	33	-2.0	-100.74	322.51	3.75	-96.99
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636284	0	39	-3.0	-171.87	361.87	3.96	-167.91
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636284	1	39	-3.0	-171.86	361.89	3.97	-167.89
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(=O)[O-])=C1	REAL300019636285	0	35	-3.0	-171.77	342.57	3.93	-167.84
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1	REAL300019636285	1	35	-3.0	-171.78	342.55	3.92	-167.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1	REAL300019636285	1	34	-4.0	-245.26	339.84	3.97	-241.29
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(=O)[O-])=C1	REAL300019636285	1	34	-4.0	-245.23	339.86	3.97	-241.26
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636286	0	33	-2.0	-91.18	330.84	2.60	-88.58
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636286	1	33	-2.0	-91.18	330.86	2.60	-88.58
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636287	0	40	-2.0	-111.13	358.42	5.28	-105.85
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636287	1	40	-2.0	-111.13	358.39	5.28	-105.85
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636287	1	39	-3.0	-169.70	355.68	5.31	-164.39
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636287	1	39	-3.0	-169.70	355.71	5.31	-164.39
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019636288	1	36	-2.0	-100.13	348.06	0.39	-99.74
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1F	REAL300019636288	1	36	-2.0	-100.13	348.08	0.39	-99.74
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019636289	0	38	-2.0	-108.65	339.93	5.43	-103.22
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL300019636289	1	38	-2.0	-108.70	339.95	5.43	-103.27
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636290	0	34	-2.0	-90.63	320.78	3.21	-87.42
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636290	1	34	-2.0	-90.70	320.81	3.22	-87.48
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=C(F)C=C1F	REAL300019636291	0	30	-2.0	-95.14	297.88	3.19	-91.95
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=C(F)C=C1F	REAL300019636291	1	30	-2.0	-95.16	297.90	3.19	-91.97
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636292	0	40	-2.0	-104.75	378.78	1.78	-102.97
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636292	1	40	-2.0	-104.77	378.81	1.78	-102.99
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636293	0	40	-2.0	-95.89	376.49	1.82	-94.07
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636293	1	40	-2.0	-95.97	376.51	1.82	-94.15
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C(=O)[O-])O1	REAL300019636294	0	32	-3.0	-156.58	314.47	2.55	-154.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C(=O)[O-])O1	REAL300019636294	1	32	-3.0	-156.53	314.49	2.55	-153.98
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2NC=CC=C12	REAL300019636295	0	33	-2.0	-117.58	311.17	2.04	-115.54
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2NC=CC=C12	REAL300019636295	1	33	-2.0	-117.56	311.19	2.04	-115.52
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636296	0	36	-2.0	-102.49	343.23	3.55	-98.94
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636296	1	36	-2.0	-102.48	343.25	3.55	-98.93
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636297	0	40	-2.0	-106.14	354.49	4.22	-101.92
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636297	1	40	-2.0	-106.16	354.52	4.22	-101.94
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300019636298	1	33	-2.0	-88.35	327.29	3.90	-84.45
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300019636298	1	33	-2.0	-88.37	327.32	3.90	-84.47
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636299	1	46	-2.0	-94.77	398.80	5.43	-89.34
O=[N+]([O-])C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636300	0	32	-2.0	-109.24	313.03	4.92	-104.32
O=[N+]([O-])C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636300	1	32	-2.0	-109.23	313.06	4.92	-104.31
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(N2C=NN=N2)=C1	REAL300019636301	1	35	-2.0	-107.84	331.26	3.02	-104.82
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(N2C=NN=N2)=C1	REAL300019636301	1	35	-2.0	-107.88	331.29	3.02	-104.86
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CC=C12	REAL300019636302	1	43	-2.0	-102.33	374.19	5.43	-96.90
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C12	REAL300019636302	1	43	-2.0	-102.29	374.21	5.43	-96.86
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(Br)=C1	REAL300019636303	0	29	-2.0	-88.98	299.29	1.64	-87.34
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(Br)=C1	REAL300019636303	1	29	-2.0	-88.97	299.32	1.65	-87.32
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636305	1	44	-2.0	-97.54	389.79	3.30	-94.24
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636306	0	36	-2.0	-106.38	349.18	0.43	-105.95
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636306	1	36	-2.0	-106.43	349.20	0.43	-106.00
O=[N+]([O-])C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636307	0	32	-2.0	-112.86	305.67	4.37	-108.49
O=[N+]([O-])C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636307	1	32	-2.0	-112.86	305.69	4.37	-108.49
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636308	0	36	-3.0	-165.98	340.40	2.49	-163.49
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636308	1	36	-3.0	-165.99	340.42	2.49	-163.50
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2=CC=CC=C2)N=C1	REAL300019636309	0	37	-2.0	-96.01	343.54	3.95	-92.06
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2=CC=CC=C2)N=C1	REAL300019636309	1	37	-2.0	-96.04	343.56	3.95	-92.09
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300019636310	0	40	-2.0	-95.72	368.94	4.41	-91.31
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300019636310	1	40	-2.0	-95.73	368.97	4.41	-91.32
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(Cl)C=C1F	REAL300019636311	0	32	-3.0	-156.45	329.02	3.98	-152.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(Cl)C=C1F	REAL300019636311	1	32	-3.0	-156.41	329.04	3.99	-152.42
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(Cl)C=C1F	REAL300019636311	1	33	-2.0	-100.68	331.67	3.98	-96.70
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(F)=C1	REAL300019636312	0	29	-2.0	-88.80	284.38	1.12	-87.68
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(F)=C1	REAL300019636312	1	29	-2.0	-88.87	284.40	1.13	-87.74
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Br)=CC=C1F	REAL300019636313	0	30	-2.0	-96.78	309.76	3.53	-93.25
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Br)=CC=C1F	REAL300019636313	1	30	-2.0	-96.85	309.79	3.53	-93.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(F)(F)F	REAL300019636314	1	36	-2.0	-94.65	337.41	4.37	-90.28
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019636315	1	40	-2.0	-95.36	363.22	3.76	-91.60
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019636315	1	40	-2.0	-95.32	363.24	3.76	-91.56
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636316	0	33	-2.0	-96.34	331.02	2.50	-93.84
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636316	1	33	-2.0	-96.44	331.05	2.50	-93.94
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636317	0	38	-2.0	-94.40	341.43	5.23	-89.17
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636317	1	38	-2.0	-94.46	341.45	5.23	-89.23
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=NC=CC=C12	REAL300019636318	0	35	-2.0	-98.99	319.12	3.27	-95.72
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=NC=CC=C12	REAL300019636318	1	35	-2.0	-99.02	319.14	3.27	-95.75
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)N=C1Cl	REAL300019636319	0	29	-2.0	-89.79	308.11	1.98	-87.81
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)N=C1Cl	REAL300019636319	1	29	-2.0	-89.88	308.14	1.98	-87.90
CC1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1OCC(=O)[O-]	REAL300019636320	0	40	-2.0	-94.71	369.08	4.26	-90.45
CC1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1OCC(=O)[O-]	REAL300019636320	1	40	-2.0	-94.73	369.05	4.27	-90.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1OCC(=O)[O-]	REAL300019636320	1	39	-3.0	-149.33	362.59	4.39	-144.94
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636321	0	30	-2.0	-105.10	286.98	1.94	-103.16
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636321	1	30	-2.0	-105.12	287.01	1.94	-103.18
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C12	REAL300019636323	0	38	-2.0	-92.42	349.29	2.57	-89.85
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C12	REAL300019636323	1	38	-2.0	-92.51	349.31	2.58	-89.93
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C12	REAL300019636324	0	34	-2.0	-88.73	322.72	-0.18	-88.91
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C12	REAL300019636324	1	34	-2.0	-88.79	322.74	-0.18	-88.97
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636325	0	30	-2.0	-87.70	298.92	1.37	-86.33
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636325	1	30	-2.0	-87.75	298.94	1.37	-86.38
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(CCCCl)C=C1	REAL300019636326	1	39	-2.0	-99.21	364.51	5.69	-93.52
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1F	REAL300019636327	0	30	-2.0	-99.53	294.74	2.97	-96.56
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(F)=C1F	REAL300019636327	1	30	-2.0	-99.55	294.76	2.97	-96.58
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019636328	0	34	-2.0	-100.23	320.96	2.42	-97.81
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019636328	1	34	-2.0	-100.23	320.98	2.42	-97.81
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636329	0	36	-2.0	-104.94	344.92	4.75	-100.19
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636329	1	36	-2.0	-104.99	344.95	4.76	-100.23
O=[N+]([O-])C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636330	0	32	-2.0	-102.77	318.24	4.75	-98.02
O=[N+]([O-])C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636330	1	32	-2.0	-102.81	318.27	4.75	-98.06
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636331	0	36	-2.0	-102.28	331.78	3.78	-98.50
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636331	1	36	-2.0	-102.30	331.76	3.79	-98.51
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636331	1	35	-3.0	-155.38	332.14	4.23	-151.15
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636331	1	35	-3.0	-155.39	332.16	4.23	-151.16
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1OCCO2	REAL300019636332	0	36	-2.0	-103.26	326.10	2.49	-100.77
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OCCO2	REAL300019636332	1	36	-2.0	-103.27	326.12	2.50	-100.77
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CN1C	REAL300019636333	0	33	-2.0	-106.43	306.50	1.74	-104.69
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CN1C	REAL300019636333	1	33	-2.0	-106.46	306.52	1.74	-104.72
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636334	0	37	-2.0	-94.89	355.22	3.62	-91.27
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636334	1	37	-2.0	-94.91	355.20	3.63	-91.28
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636334	1	36	-3.0	-148.03	348.72	3.75	-144.28
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636334	1	36	-3.0	-148.05	348.75	3.75	-144.30
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1OC(F)F	REAL300019636335	0	34	-2.0	-100.18	320.98	2.88	-97.30
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1OC(F)F	REAL300019636335	1	34	-2.0	-100.23	321.01	2.89	-97.34
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636336	1	39	-2.0	-100.64	359.63	4.42	-96.22
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636336	1	39	-2.0	-100.70	359.65	4.42	-96.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636337	0	33	-2.0	-95.07	309.05	1.41	-93.66
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636337	1	33	-2.0	-95.06	309.07	1.41	-93.65
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636338	0	42	-2.0	-92.28	381.09	5.22	-87.06
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636338	1	42	-2.0	-92.29	381.12	5.23	-87.06
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636339	1	37	-2.0	-99.74	338.04	2.55	-97.19
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636339	1	37	-2.0	-99.74	338.06	2.57	-97.17
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636340	0	36	-2.0	-105.00	334.59	4.30	-100.70
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636340	1	36	-2.0	-105.06	334.62	4.30	-100.76
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C(F)(F)F)=CC=C1F	REAL300019636341	0	33	-2.0	-96.25	327.21	3.90	-92.35
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C(F)(F)F)=CC=C1F	REAL300019636341	1	33	-2.0	-96.25	327.23	3.91	-92.34
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1C(F)(F)F	REAL300019636342	0	33	-2.0	-92.77	315.23	4.30	-88.47
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1C(F)(F)F	REAL300019636342	1	33	-2.0	-92.75	315.26	4.30	-88.45
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)N=C2SC=CN21	REAL300019636343	0	30	-2.0	-96.64	315.08	2.94	-93.70
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636344	0	40	-2.0	-118.23	363.30	4.35	-113.88
CCOC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636344	1	40	-2.0	-118.20	363.27	4.34	-113.86
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636344	1	39	-3.0	-170.98	360.57	4.38	-166.60
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2COCC2=C1	REAL300019636345	1	35	-2.0	-96.27	318.94	2.14	-94.13
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2COCC2=C1	REAL300019636345	1	35	-2.0	-96.25	318.96	2.14	-94.11
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019636346	1	39	-2.0	-90.98	364.18	4.45	-86.53
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1F	REAL300019636346	1	39	-2.0	-90.94	364.20	4.45	-86.49
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC=C1Cl	REAL300019636347	0	30	-2.0	-94.57	302.50	3.47	-91.10
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC=C1Cl	REAL300019636347	1	30	-2.0	-94.63	302.52	3.48	-91.15
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)=CO1	REAL300019636348	1	39	-2.0	-100.34	359.36	1.90	-98.44
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)=CO1	REAL300019636348	1	39	-2.0	-100.37	359.38	1.90	-98.47
O=S(=O)(CCOCC(F)(F)F)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636349	1	33	-2.0	-91.12	321.29	1.09	-90.03
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2O1	REAL300019636350	1	38	-2.0	-96.53	339.89	3.42	-93.11
O=C1NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C12	REAL300019636351	0	34	-2.0	-91.73	327.28	-0.31	-92.04
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636352	0	30	-2.0	-93.09	283.38	-0.11	-93.20
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636352	1	30	-2.0	-93.13	283.40	-0.11	-93.24
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636353	1	34	-2.0	-99.76	312.47	2.14	-97.62
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636353	1	34	-2.0	-99.77	312.50	2.14	-97.63
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636354	1	33	-2.0	-98.50	298.03	3.63	-94.87
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636355	0	36	-2.0	-101.43	345.57	1.01	-100.42
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636355	1	36	-2.0	-101.46	345.59	1.01	-100.45
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019636356	0	30	-2.0	-102.94	287.81	0.38	-102.56
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019636356	1	30	-2.0	-102.94	287.84	0.39	-102.55
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636357	0	30	-2.0	-89.89	283.21	0.48	-89.41
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636357	1	30	-2.0	-89.89	283.23	0.48	-89.41
O=S(=O)(CC1CCCO1)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636359	1	34	-2.0	-100.41	301.79	1.22	-99.19
O=S(=O)(CC1CCCCO1)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636360	1	37	-2.0	-98.74	320.27	1.91	-96.83
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(F)C=C1F	REAL300019636363	0	36	-2.0	-91.18	347.77	3.58	-87.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(F)C=C1F	REAL300019636363	1	36	-2.0	-91.18	347.79	3.58	-87.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019636364	0	33	-2.0	-101.40	309.88	3.58	-97.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019636364	1	33	-2.0	-101.48	309.90	3.58	-97.90
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019636365	1	33	-2.0	-91.60	309.69	3.54	-88.06
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019636366	0	33	-2.0	-91.62	322.51	1.63	-89.99
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019636366	1	33	-2.0	-91.67	322.53	1.63	-90.04
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=CC=CN=C21	REAL300019636367	0	35	-2.0	-113.06	322.90	3.47	-109.59
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=CC=CN=C21	REAL300019636367	1	35	-2.0	-113.16	322.92	3.47	-109.69
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(C2=CC=CC=C2)=N1	REAL300019636368	0	36	-2.0	-101.74	349.40	3.53	-98.21
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(C2=CC=CC=C2)=N1	REAL300019636368	1	36	-2.0	-101.75	349.43	3.53	-98.22
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=C(F)C=C1F	REAL300019636369	0	30	-2.0	-89.40	301.17	3.03	-86.37
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=C(F)C=C1F	REAL300019636369	1	30	-2.0	-89.44	301.19	3.03	-86.41
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C(=O)[O-])S1	REAL300019636370	0	32	-3.0	-161.12	320.04	3.29	-157.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C(=O)[O-])S1	REAL300019636370	1	32	-3.0	-161.12	320.07	3.30	-157.82
CC1=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C(=O)[O-])S1	REAL300019636370	1	33	-2.0	-107.38	322.80	3.26	-104.12
CC1=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C(=O)[O-])S1	REAL300019636370	1	33	-2.0	-107.38	322.83	3.26	-104.12
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019636371	1	39	-2.0	-99.33	347.82	4.14	-95.19
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300019636371	1	39	-2.0	-99.30	347.85	4.14	-95.16
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636372	0	34	-2.0	-99.68	325.57	2.71	-96.97
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636372	1	34	-2.0	-99.66	325.59	2.71	-96.95
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CN=C1Cl	REAL300019636373	0	32	-2.0	-89.52	313.62	2.06	-87.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CN=C1Cl	REAL300019636373	1	32	-2.0	-89.53	313.64	2.06	-87.47
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636374	0	36	-2.0	-105.34	341.13	0.43	-104.91
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636374	1	36	-2.0	-105.33	341.15	0.44	-104.89
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636376	1	39	-2.0	-103.12	359.92	4.29	-98.83
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636376	1	39	-2.0	-103.14	359.94	4.29	-98.85
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019636378	1	41	-2.0	-118.52	363.48	3.96	-114.56
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019636378	1	41	-2.0	-118.51	363.50	3.96	-114.55
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636379	0	42	-2.0	-96.79	362.14	3.45	-93.34
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636379	1	42	-2.0	-96.77	362.16	3.45	-93.32
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)SC=C1	REAL300019636380	0	30	-2.0	-98.56	293.70	2.47	-96.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)SC=C1	REAL300019636380	1	30	-2.0	-98.57	293.73	2.47	-96.10
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636381	0	36	-2.0	-94.70	354.48	4.01	-90.69
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636381	1	36	-2.0	-94.71	354.50	4.01	-90.70
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019636382	0	39	-2.0	-96.38	341.47	2.74	-93.64
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300019636382	1	39	-2.0	-96.46	341.50	2.74	-93.72
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019636383	0	39	-2.0	-93.26	353.78	4.03	-89.23
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL300019636383	1	39	-2.0	-93.23	353.81	4.04	-89.19
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019636384	0	35	-2.0	-87.40	327.18	4.02	-83.38
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019636384	1	35	-2.0	-87.39	327.20	4.03	-83.36
O=C1NCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019636386	1	38	-2.0	-109.29	342.55	1.29	-108.00
O=C1NCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019636386	1	38	-2.0	-109.35	342.57	1.30	-108.05
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636387	1	39	-2.0	-111.05	367.99	1.06	-109.99
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636387	1	39	-2.0	-111.07	368.02	1.04	-110.03
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636388	1	34	-2.0	-95.12	319.23	4.01	-91.11
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636388	1	34	-2.0	-95.15	319.25	4.01	-91.14
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019636389	1	37	-2.0	-104.66	344.17	1.86	-102.80
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1F	REAL300019636389	1	37	-2.0	-104.66	344.19	1.86	-102.80
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300019636390	0	35	-2.0	-96.55	332.65	4.10	-92.45
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[N+](=O)[O-]	REAL300019636390	1	35	-2.0	-96.60	332.67	4.10	-92.50
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636391	1	42	-2.0	-96.73	335.12	5.52	-91.21
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636391	1	42	-2.0	-96.70	335.14	5.51	-91.19
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC(Cl)=C2O1	REAL300019636392	1	38	-2.0	-93.95	356.74	3.96	-89.99
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C	REAL300019636393	1	40	-2.0	-114.43	357.85	2.64	-111.79
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019636394	1	44	-2.0	-118.82	375.44	4.46	-114.36
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019636394	1	44	-2.0	-118.80	375.46	4.46	-114.34
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636395	0	34	-2.0	-99.27	320.63	3.31	-95.96
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636395	1	34	-2.0	-99.25	320.65	3.31	-95.94
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636396	1	34	-2.0	-90.96	319.22	4.01	-86.95
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636396	1	34	-2.0	-90.97	319.24	4.01	-86.96
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636397	1	42	-2.0	-99.11	347.70	6.07	-93.04
O=C1OCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636399	1	39	-2.0	-104.23	351.64	2.91	-101.32
O=C1OCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636399	1	39	-2.0	-104.18	351.66	2.91	-101.27
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1OC	REAL300019636400	1	40	-2.0	-96.26	365.05	3.54	-92.72
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019636401	0	31	-2.0	-93.56	309.29	3.30	-90.26
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019636401	1	31	-2.0	-93.56	309.31	3.30	-90.26
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2O1	REAL300019636402	0	35	-2.0	-95.53	326.62	0.50	-95.03
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2O1	REAL300019636402	1	35	-2.0	-95.53	326.64	0.50	-95.03
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636403	0	36	-2.0	-95.07	327.74	1.92	-93.15
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636403	1	36	-2.0	-95.04	327.76	1.93	-93.11
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636404	0	35	-2.0	-99.41	322.05	-0.84	-100.25
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636404	1	35	-2.0	-99.51	322.07	-0.83	-100.34
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CN=C2C=C1	REAL300019636405	1	35	-2.0	-98.26	323.94	3.23	-95.03
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=CN=C2C=C1	REAL300019636405	1	35	-2.0	-98.27	323.95	3.23	-95.04
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636406	0	36	-2.0	-100.59	342.32	1.61	-98.98
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636406	1	36	-2.0	-100.68	342.34	1.61	-99.07
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CN1	REAL300019636407	0	36	-2.0	-103.48	326.77	1.29	-102.19
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CN1	REAL300019636407	1	36	-2.0	-103.50	326.79	1.29	-102.21
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C([N+](=O)[O-])=C1	REAL300019636408	0	33	-2.0	-99.64	322.24	4.62	-95.02
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C([N+](=O)[O-])=C1	REAL300019636408	1	33	-2.0	-99.66	322.26	4.63	-95.03
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1C1=CC=CC=N1	REAL300019636410	0	39	-2.0	-99.96	355.16	4.22	-95.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C1=CC=CC=N1	REAL300019636410	1	39	-2.0	-99.99	355.19	4.22	-95.77
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636411	1	41	-2.0	-93.02	365.57	2.48	-90.54
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636412	0	34	-2.0	-95.09	339.77	4.13	-90.96
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636412	1	34	-2.0	-95.14	339.80	4.13	-91.01
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=C(F)C(F)=C1	REAL300019636413	0	30	-2.0	-83.72	301.96	3.03	-80.69
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=C(F)C(F)=C1	REAL300019636413	1	30	-2.0	-83.77	301.98	3.03	-80.74
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636414	0	41	-2.0	-95.29	365.43	4.67	-90.62
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636414	1	41	-2.0	-95.33	365.46	4.67	-90.66
CC(C)OCCS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636415	1	36	-2.0	-92.06	321.99	1.37	-90.69
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CN1C	REAL300019636416	0	37	-2.0	-100.38	344.12	2.94	-97.44
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CN1C	REAL300019636416	1	37	-2.0	-100.41	344.14	2.94	-97.47
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636417	1	45	-2.0	-97.11	373.40	5.63	-91.48
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=C1	REAL300019636418	0	32	-3.0	-148.29	324.48	3.96	-144.33
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=C1	REAL300019636418	1	32	-3.0	-148.28	324.51	3.96	-144.32
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=C1	REAL300019636418	1	33	-2.0	-91.72	327.14	3.94	-87.78
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=C1	REAL300019636418	1	33	-2.0	-91.64	327.16	3.95	-87.69
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636419	0	33	-2.0	-98.95	322.45	3.31	-95.64
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636419	1	33	-2.0	-98.99	322.43	3.32	-95.67
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636419	1	32	-3.0	-149.35	315.97	3.44	-145.91
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636419	1	32	-3.0	-149.38	315.99	3.44	-145.94
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636420	1	38	-2.0	-106.47	349.45	2.25	-104.22
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636420	1	38	-2.0	-106.51	349.47	2.26	-104.25
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2=CC=CC=C2F)N=C1	REAL300019636421	0	37	-2.0	-99.06	347.93	4.11	-94.95
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2=CC=CC=C2F)N=C1	REAL300019636421	1	37	-2.0	-99.10	347.95	4.11	-94.99
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Br)C(F)=C1	REAL300019636422	0	30	-2.0	-88.97	309.97	3.51	-85.46
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Br)C(F)=C1	REAL300019636422	1	30	-2.0	-89.02	309.99	3.51	-85.51
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636423	1	40	-2.0	-103.30	361.20	3.50	-99.80
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C)=C1F	REAL300019636424	1	36	-2.0	-92.28	330.00	4.18	-88.10
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(Br)=C1	REAL300019636425	1	30	-2.0	-88.84	309.97	3.51	-85.33
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(Br)=C1	REAL300019636425	1	30	-2.0	-88.94	309.99	3.51	-85.43
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636426	0	41	-2.0	-100.47	370.71	3.59	-96.88
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636426	1	41	-2.0	-100.48	370.73	3.60	-96.88
O=C1NC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2O1	REAL300019636427	0	33	-2.0	-92.05	327.78	0.91	-91.14
O=C1NC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2O1	REAL300019636427	1	33	-2.0	-92.05	327.80	0.91	-91.14
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636428	0	29	-3.0	-151.50	303.69	2.53	-148.97
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636428	1	29	-3.0	-151.46	303.71	2.53	-148.93
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636429	0	39	-2.0	-104.37	347.51	3.81	-100.56
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636429	1	39	-2.0	-104.37	347.53	3.82	-100.55
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636430	0	32	-3.0	-154.66	317.84	3.47	-151.19
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636430	1	33	-2.0	-88.06	324.38	3.35	-84.71
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636430	1	33	-2.0	-88.00	324.40	3.34	-84.66
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636430	1	32	-3.0	-154.60	317.86	3.47	-151.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL300019636431	0	35	-3.0	-162.95	337.20	4.10	-158.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL300019636431	1	35	-3.0	-162.96	337.23	4.11	-158.85
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636432	0	44	-2.0	-94.77	375.77	4.90	-89.87
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636432	1	44	-2.0	-94.75	375.79	4.90	-89.85
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CN1	REAL300019636433	0	34	-2.0	-98.01	326.37	1.19	-96.82
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CN1	REAL300019636433	1	34	-2.0	-98.04	326.39	1.19	-96.85
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019636434	0	32	-3.0	-149.69	316.89	3.47	-146.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019636434	1	32	-3.0	-149.71	316.92	3.47	-146.24
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019636435	0	33	-2.0	-94.84	330.42	3.67	-91.17
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019636435	1	33	-2.0	-94.90	330.40	3.68	-91.22
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019636435	1	32	-3.0	-147.72	323.94	3.80	-143.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019636435	1	32	-3.0	-147.69	323.96	3.81	-143.88
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636436	1	33	-2.0	-94.12	303.77	3.65	-90.47
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636436	1	33	-2.0	-94.16	303.79	3.65	-90.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Br	REAL300019636437	1	33	-2.0	-95.29	322.48	4.04	-91.25
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C	REAL300019636438	1	39	-2.0	-95.25	353.80	4.03	-91.22
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C	REAL300019636438	1	39	-2.0	-95.27	353.83	4.03	-91.24
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300019636439	0	33	-2.0	-96.78	330.25	2.53	-94.25
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300019636439	1	33	-2.0	-96.80	330.27	2.53	-94.27
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019636440	1	36	-2.0	-90.85	342.30	3.52	-87.33
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1F	REAL300019636440	1	36	-2.0	-90.80	342.32	3.52	-87.28
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636441	0	32	-2.0	-94.48	308.20	1.41	-93.07
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636441	1	32	-2.0	-94.48	308.22	1.41	-93.07
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636442	1	34	-2.0	-103.33	325.22	4.01	-99.32
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636442	1	34	-2.0	-103.33	325.25	4.02	-99.31
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636443	0	38	-2.0	-85.96	340.97	5.17	-80.79
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636443	1	38	-2.0	-85.93	340.99	5.17	-80.76
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636447	0	36	-2.0	-103.04	340.56	4.18	-98.86
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636447	1	36	-2.0	-103.05	340.53	4.19	-98.86
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636447	1	35	-3.0	-157.31	340.87	4.61	-152.70
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636447	1	35	-3.0	-157.24	340.90	4.61	-152.63
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636448	1	36	-2.0	-94.46	337.52	4.64	-89.82
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636448	1	36	-2.0	-94.47	337.54	4.63	-89.84
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636449	1	36	-2.0	-98.95	325.87	4.26	-94.69
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636449	1	36	-2.0	-98.95	325.90	4.28	-94.67
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC(Cl)=CC=C2S1	REAL300019636450	0	33	-2.0	-94.38	338.61	4.78	-89.60
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC(Cl)=CC=C2S1	REAL300019636450	1	33	-2.0	-94.38	338.63	4.78	-89.60
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636451	0	33	-2.0	-94.76	310.78	3.58	-91.18
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636451	1	33	-2.0	-94.78	310.80	3.58	-91.20
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636453	0	36	-2.0	-92.61	340.86	2.29	-90.32
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636453	1	36	-2.0	-92.65	340.88	2.30	-90.35
O=C1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2N1	REAL300019636454	1	36	-2.0	-94.23	334.37	1.90	-92.33
O=C1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C2N1	REAL300019636454	1	36	-2.0	-94.28	334.39	1.91	-92.37
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(F)=C1F	REAL300019636455	0	33	-2.0	-90.13	328.97	3.36	-86.77
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(F)=C1F	REAL300019636455	1	33	-2.0	-90.26	328.96	3.36	-86.90
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(F)=C1F	REAL300019636455	1	32	-3.0	-152.35	322.26	3.49	-148.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC(F)=C1F	REAL300019636455	1	32	-3.0	-152.38	322.28	3.50	-148.88
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636456	0	34	-3.0	-148.63	339.62	4.07	-144.56
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636456	1	34	-3.0	-148.61	339.64	4.07	-144.54
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636456	1	35	-2.0	-87.00	346.17	3.95	-83.05
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636456	1	35	-2.0	-87.00	346.19	3.94	-83.06
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC2=CC=C(Cl)C=C12	REAL300019636457	0	33	-2.0	-98.74	336.31	4.71	-94.03
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC2=CC=C(Cl)C=C12	REAL300019636457	1	33	-2.0	-98.73	336.33	4.71	-94.02
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636458	0	40	-2.0	-107.04	365.91	3.30	-103.74
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636458	1	40	-2.0	-107.00	365.93	3.30	-103.70
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636459	1	42	-2.0	-101.51	370.16	4.81	-96.70
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636459	1	42	-2.0	-101.52	370.18	4.81	-96.71
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2O1	REAL300019636460	1	41	-2.0	-96.42	360.42	4.09	-92.33
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(F)C=C1F	REAL300019636461	0	33	-2.0	-93.84	315.16	3.60	-90.24
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(F)C=C1F	REAL300019636461	1	33	-2.0	-93.84	315.18	3.61	-90.23
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C=CC2=CC=CC=C21	REAL300019636462	0	36	-2.0	-105.14	334.75	5.90	-99.24
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C=CC2=CC=CC=C21	REAL300019636462	1	36	-2.0	-105.12	334.77	5.90	-99.22
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300019636463	0	36	-2.0	-105.56	324.01	5.15	-100.41
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300019636463	1	36	-2.0	-105.57	324.03	5.16	-100.41
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2C=CSC2=C1	REAL300019636464	0	32	-2.0	-95.07	314.97	2.32	-92.75
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2C=CSC2=C1	REAL300019636464	1	32	-2.0	-95.11	314.99	2.32	-92.79
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300019636465	0	35	-2.0	-94.62	340.32	4.59	-90.03
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[N+](=O)[O-]	REAL300019636465	1	35	-2.0	-94.61	340.34	4.59	-90.02
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(F)(F)F	REAL300019636466	1	34	-2.0	-87.80	339.61	4.02	-83.78
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(F)(F)F	REAL300019636466	1	34	-2.0	-87.82	339.63	4.03	-83.79
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636467	0	37	-2.0	-98.90	360.82	1.93	-96.97
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636467	1	37	-2.0	-98.92	360.84	1.94	-96.98
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636468	1	33	-2.0	-94.06	316.55	4.13	-89.93
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636468	1	33	-2.0	-94.07	316.57	4.13	-89.94
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636469	0	33	-3.0	-164.35	321.15	1.11	-163.24
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636469	1	33	-3.0	-164.34	321.17	1.12	-163.22
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1CCCC2	REAL300019636470	1	40	-2.0	-101.46	338.29	5.47	-95.99
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636471	0	35	-2.0	-98.96	340.92	2.86	-96.10
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636471	1	35	-2.0	-98.98	340.94	2.86	-96.12
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636472	0	36	-2.0	-93.56	336.26	4.16	-89.40
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636472	1	36	-2.0	-93.59	336.23	4.17	-89.42
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636472	1	35	-3.0	-154.48	333.60	4.19	-150.29
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636472	1	35	-3.0	-154.44	333.62	4.19	-150.25
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019636473	1	37	-2.0	-98.11	352.85	2.36	-95.75
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019636473	1	37	-2.0	-98.15	352.87	2.36	-95.79
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019636474	0	36	-2.0	-91.72	344.38	2.56	-89.16
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019636474	1	36	-2.0	-91.69	344.40	2.56	-89.13
O=[N+]([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636475	0	32	-2.0	-87.47	317.59	3.58	-83.89
O=[N+]([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636475	1	32	-2.0	-87.48	317.61	3.58	-83.90
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636476	0	35	-2.0	-107.12	337.29	3.82	-103.30
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636476	1	35	-2.0	-107.11	337.32	3.82	-103.29
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019636477	1	42	-2.0	-96.73	373.69	4.37	-92.36
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019636477	1	42	-2.0	-96.73	373.72	4.37	-92.36
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636478	0	35	-2.0	-89.75	339.12	4.66	-85.09
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636478	1	35	-2.0	-89.74	339.15	4.66	-85.08
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636479	0	33	-2.0	-104.95	325.70	3.55	-101.40
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636479	1	33	-2.0	-104.99	325.73	3.55	-101.44
COC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)SC=C1	REAL300019636480	0	31	-2.0	-105.68	305.14	1.13	-104.55
COC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)SC=C1	REAL300019636480	1	31	-2.0	-105.67	305.16	1.12	-104.55
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636481	0	39	-2.0	-104.05	365.14	1.25	-102.80
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636481	1	39	-2.0	-104.09	365.16	1.26	-102.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)OC2=CC=C(F)C=C21	REAL300019636482	0	36	-2.0	-95.10	336.72	4.13	-90.97
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)OC2=CC=C(F)C=C21	REAL300019636482	1	36	-2.0	-95.19	336.74	4.13	-91.06
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2O1	REAL300019636483	0	33	-2.0	-99.08	312.73	3.23	-95.85
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2O1	REAL300019636483	1	33	-2.0	-99.15	312.76	3.24	-95.91
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C2C=C1	REAL300019636484	0	38	-2.0	-114.67	344.48	4.08	-110.59
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C2C=C1	REAL300019636484	1	38	-2.0	-114.63	344.50	4.08	-110.55
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019636485	1	41	-2.0	-93.74	366.29	2.34	-91.40
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019636485	1	41	-2.0	-93.77	366.31	2.34	-91.43
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C2=CC=CC=C21	REAL300019636486	0	36	-2.0	-97.54	338.38	5.58	-91.96
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C2=CC=CC=C21	REAL300019636486	1	36	-2.0	-97.53	338.41	5.58	-91.95
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(F)=C1F	REAL300019636487	0	36	-2.0	-86.20	348.58	3.58	-82.62
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC(F)=C1F	REAL300019636487	1	36	-2.0	-86.22	348.60	3.58	-82.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)SC2=CC=CC(F)=C21	REAL300019636488	0	36	-2.0	-101.09	342.93	4.87	-96.22
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)SC2=CC=CC(F)=C21	REAL300019636488	1	36	-2.0	-101.08	342.96	4.87	-96.21
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL300019636489	0	35	-2.0	-95.70	337.01	4.21	-91.49
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL300019636489	1	35	-2.0	-95.69	337.03	4.22	-91.47
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636490	0	32	-2.0	-101.81	316.22	1.59	-100.22
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636490	1	32	-2.0	-101.84	316.24	1.59	-100.25
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=NC2=C1Cl	REAL300019636492	0	35	-2.0	-87.78	343.96	2.80	-84.98
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=NC2=C1Cl	REAL300019636492	1	35	-2.0	-87.71	343.98	2.80	-84.91
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=CC=C1Br	REAL300019636493	0	30	-2.0	-101.43	302.62	3.77	-97.66
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=CC=C1Br	REAL300019636493	1	30	-2.0	-101.36	302.65	3.77	-97.59
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2N=C(Cl)SC2=C1	REAL300019636494	1	32	-2.0	-90.20	331.24	2.75	-87.45
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2N=C(Cl)SC2=C1	REAL300019636494	1	32	-2.0	-90.27	331.26	2.75	-87.52
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636495	0	30	-2.0	-87.66	297.94	1.79	-85.87
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636495	1	30	-2.0	-87.71	297.96	1.79	-85.92
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)N=C1Cl	REAL300019636496	0	30	-2.0	-100.34	303.15	1.67	-98.67
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)N=C1Cl	REAL300019636496	1	30	-2.0	-100.35	303.17	1.68	-98.67
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(OC)=C1	REAL300019636497	0	38	-2.0	-100.43	341.95	1.45	-98.98
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC(OC)=C1	REAL300019636497	1	38	-2.0	-100.46	341.97	1.45	-99.01
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(Cl)=C1F	REAL300019636498	0	33	-2.0	-89.70	338.86	3.80	-85.90
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(Cl)=C1F	REAL300019636498	1	33	-2.0	-89.82	338.85	3.80	-86.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(Cl)=C1F	REAL300019636498	1	32	-3.0	-154.04	332.15	3.93	-150.11
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC(Cl)=C1F	REAL300019636498	1	32	-3.0	-154.04	332.17	3.93	-150.11
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=NON=C21	REAL300019636499	0	31	-2.0	-101.75	298.80	1.58	-100.17
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=NON=C21	REAL300019636499	1	31	-2.0	-101.78	298.82	1.58	-100.20
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019636500	0	38	-2.0	-109.41	333.26	5.67	-103.74
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1C	REAL300019636500	1	38	-2.0	-109.41	333.28	5.67	-103.74
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636501	0	31	-2.0	-89.33	305.19	0.68	-88.65
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636501	1	31	-2.0	-89.27	305.21	0.68	-88.59
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636502	0	29	-2.0	-93.64	291.49	0.67	-92.97
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636502	1	29	-2.0	-93.60	291.52	0.67	-92.93
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1Cl	REAL300019636503	1	36	-2.0	-90.77	350.28	3.88	-86.89
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1Cl	REAL300019636503	1	36	-2.0	-90.77	350.30	3.88	-86.89
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636504	0	35	-2.0	-88.96	331.18	4.31	-84.65
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636504	1	35	-2.0	-89.01	331.20	4.31	-84.70
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636505	0	36	-2.0	-92.65	324.14	4.02	-88.63
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636505	1	36	-2.0	-92.69	324.10	4.03	-88.66
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636505	1	35	-3.0	-161.95	325.25	4.14	-157.81
COCCOCCS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636506	1	37	-2.0	-94.18	335.34	-0.11	-94.29
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300019636507	0	37	-2.0	-115.09	347.62	0.71	-114.38
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300019636507	1	37	-2.0	-115.04	347.64	0.72	-114.32
CC1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(=O)[O-])=C1F	REAL300019636508	0	36	-2.0	-112.47	342.84	3.93	-108.54
CC1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1F	REAL300019636508	1	36	-2.0	-112.52	342.80	3.93	-108.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1F	REAL300019636508	1	35	-3.0	-162.64	336.27	4.05	-158.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636509	0	36	-2.0	-98.55	329.64	4.14	-94.41
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636509	1	36	-2.0	-98.51	329.61	4.15	-94.36
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636509	1	35	-3.0	-150.65	326.84	4.17	-146.48
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636510	0	36	-2.0	-103.10	341.94	3.96	-99.14
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636510	1	36	-2.0	-103.10	341.96	3.96	-99.14
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2F)N=C1	REAL300019636511	1	40	-2.0	-92.66	366.57	4.70	-87.96
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019636512	0	31	-2.0	-94.82	312.27	3.52	-91.30
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019636512	1	31	-2.0	-94.89	312.29	3.52	-91.37
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)N1	REAL300019636513	0	43	-2.0	-96.95	378.95	3.53	-93.42
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)N1	REAL300019636513	1	43	-2.0	-96.95	378.97	3.53	-93.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636514	0	33	-2.0	-96.87	315.16	3.61	-93.26
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636514	1	33	-2.0	-96.86	315.18	3.62	-93.24
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019636515	0	36	-2.0	-87.59	338.51	3.59	-84.00
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019636515	1	36	-2.0	-87.58	338.53	3.59	-83.99
CC1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(=O)[O-])=C1C	REAL300019636516	0	39	-2.0	-90.79	351.01	4.33	-86.46
CC1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1C	REAL300019636516	1	39	-2.0	-90.79	350.98	4.33	-86.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1C	REAL300019636516	1	38	-3.0	-167.76	344.31	4.47	-163.29
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=CC=C(Cl)C=C21	REAL300019636517	0	36	-2.0	-106.45	340.70	5.66	-100.79
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=CC=C(Cl)C=C21	REAL300019636517	1	36	-2.0	-106.48	340.72	5.66	-100.82
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636518	0	36	-2.0	-96.60	348.08	0.39	-96.21
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636518	1	36	-2.0	-96.67	348.10	0.39	-96.28
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019636519	0	34	-3.0	-161.46	338.01	4.49	-156.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019636519	1	34	-3.0	-161.50	338.03	4.49	-157.01
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019636519	1	35	-2.0	-118.75	344.48	4.37	-114.38
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300019636519	1	35	-2.0	-118.77	344.51	4.36	-114.41
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC(F)=CC=C2S1	REAL300019636520	0	33	-2.0	-94.38	328.30	4.34	-90.04
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC(F)=CC=C2S1	REAL300019636520	1	33	-2.0	-94.40	328.32	4.34	-90.06
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1CC	REAL300019636521	1	42	-2.0	-99.26	360.02	5.41	-93.85
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636522	0	32	-3.0	-152.62	323.18	3.53	-149.09
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636522	1	32	-3.0	-152.66	323.20	3.53	-149.13
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1F	REAL300019636523	0	35	-2.0	-88.38	336.01	4.16	-84.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1F	REAL300019636523	1	35	-2.0	-88.40	336.03	4.17	-84.23
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636524	0	36	-2.0	-101.95	344.93	4.74	-97.21
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636524	1	36	-2.0	-101.96	344.95	4.74	-97.22
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C=CN=C1Cl	REAL300019636525	0	29	-2.0	-94.86	301.93	2.29	-92.57
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C=CN=C1Cl	REAL300019636525	1	29	-2.0	-94.88	301.95	2.29	-92.59
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636526	0	36	-2.0	-104.18	328.41	3.23	-100.95
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636526	1	36	-2.0	-104.27	328.43	3.23	-101.04
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636527	0	35	-2.0	-89.48	333.71	1.68	-87.80
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636527	1	35	-2.0	-89.51	333.73	1.68	-87.83
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(Cl)C=C1Cl	REAL300019636528	0	29	-2.0	-87.46	308.39	2.03	-85.43
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(Cl)C=C1Cl	REAL300019636528	1	29	-2.0	-87.49	308.42	2.03	-85.46
CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=C1C(=O)[O-]	REAL300019636529	0	39	-2.0	-96.38	347.36	4.78	-91.60
CC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1C(=O)[O-]	REAL300019636529	1	39	-2.0	-96.42	347.33	4.79	-91.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1C(=O)[O-]	REAL300019636529	1	38	-3.0	-165.46	344.82	4.81	-160.65
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636530	0	35	-3.0	-162.82	332.91	4.00	-158.82
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636530	1	35	-3.0	-162.84	332.93	4.00	-158.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019636531	0	35	-3.0	-162.12	343.18	4.54	-157.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019636531	1	35	-3.0	-162.10	343.20	4.54	-157.56
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636532	0	35	-3.0	-169.56	336.44	4.09	-165.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636532	1	35	-3.0	-169.52	336.47	4.09	-165.43
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300019636533	0	30	-2.0	-86.11	310.21	3.32	-82.79
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300019636533	1	30	-2.0	-86.07	310.23	3.33	-82.74
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636534	1	38	-2.0	-107.47	346.06	4.11	-103.36
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636534	1	38	-2.0	-107.48	346.08	4.11	-103.37
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636535	0	37	-2.0	-93.45	342.72	0.46	-92.99
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636535	1	37	-2.0	-93.40	342.74	0.46	-92.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C([N+](=O)[O-])=N1	REAL300019636536	0	35	-2.0	-102.00	333.29	3.68	-98.32
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C([N+](=O)[O-])=N1	REAL300019636536	1	35	-2.0	-102.01	333.31	3.69	-98.32
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC=C1Br	REAL300019636537	0	30	-2.0	-93.92	305.85	3.61	-90.31
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC=C1Br	REAL300019636537	1	30	-2.0	-93.97	305.87	3.61	-90.36
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1Br	REAL300019636538	0	33	-2.0	-99.27	317.67	4.12	-95.15
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1Br	REAL300019636538	1	33	-2.0	-99.27	317.70	4.12	-95.15
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636539	0	39	-2.0	-91.68	348.59	4.56	-87.12
CCC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636539	1	39	-2.0	-91.65	348.56	4.56	-87.09
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636539	1	38	-3.0	-166.57	345.66	4.59	-161.98
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CCOCC2)N=C1	REAL300019636540	0	41	-2.0	-95.02	360.13	1.38	-93.64
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CCOCC2)N=C1	REAL300019636540	1	41	-2.0	-95.11	360.15	1.38	-93.73
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1C#N	REAL300019636543	0	34	-2.0	-105.76	320.22	3.64	-102.12
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1C#N	REAL300019636543	1	34	-2.0	-105.72	320.24	3.65	-102.07
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636544	0	36	-2.0	-96.16	334.71	3.30	-92.86
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636544	1	36	-2.0	-96.17	334.68	3.31	-92.86
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636545	0	39	-2.0	-97.18	355.96	4.49	-92.69
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636545	1	39	-2.0	-97.21	355.99	4.49	-92.72
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636546	0	36	-2.0	-104.23	330.29	3.60	-100.63
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636546	1	36	-2.0	-104.22	330.32	3.60	-100.62
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CCOC2)N=C1	REAL300019636547	0	38	-2.0	-93.56	341.03	0.60	-92.96
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CCOC2)N=C1	REAL300019636547	1	38	-2.0	-93.54	341.05	0.60	-92.94
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OCC(F)F)C=C1	REAL300019636548	1	37	-2.0	-99.12	347.32	3.39	-95.73
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL300019636549	0	33	-2.0	-102.74	308.77	3.56	-99.18
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL300019636549	1	33	-2.0	-102.74	308.79	3.56	-99.18
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636550	0	36	-2.0	-91.18	332.00	0.47	-90.71
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636550	1	36	-2.0	-91.17	332.02	0.47	-90.70
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2CCCCC2=N1	REAL300019636551	0	37	-2.0	-106.88	328.76	2.88	-104.00
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2CCCCC2=N1	REAL300019636551	1	37	-2.0	-106.94	328.79	2.88	-104.06
COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1CC(=O)[O-]	REAL300019636552	0	40	-2.0	-96.07	368.38	3.41	-92.66
COC1=CC=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1CC(=O)[O-]	REAL300019636552	1	40	-2.0	-96.08	368.39	3.40	-92.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1CC(=O)[O-]	REAL300019636552	1	39	-3.0	-167.48	361.91	3.53	-163.95
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636553	1	37	-2.0	-97.58	338.05	2.57	-95.01
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636553	1	37	-2.0	-97.62	338.07	2.58	-95.04
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636554	0	35	-2.0	-101.50	322.24	-0.17	-101.67
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636554	1	35	-2.0	-101.56	322.26	-0.17	-101.73
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019636555	0	33	-2.0	-99.80	314.85	3.98	-95.82
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019636555	1	33	-2.0	-99.82	314.87	3.98	-95.84
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)O1	REAL300019636557	0	33	-2.0	-95.95	305.95	2.42	-93.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)O1	REAL300019636557	1	33	-2.0	-95.99	305.97	2.42	-93.57
O=C1COC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=C2N1	REAL300019636558	0	36	-2.0	-102.31	329.22	0.50	-101.81
O=C1COC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=C2N1	REAL300019636558	1	36	-2.0	-102.30	329.25	0.50	-101.80
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2OCCCC2=C1	REAL300019636559	1	38	-2.0	-97.51	336.66	3.46	-94.05
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)CC1	REAL300019636560	1	43	-2.0	-98.14	381.30	5.47	-92.67
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)CC1	REAL300019636560	1	43	-2.0	-98.14	381.32	5.47	-92.67
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636561	0	39	-2.0	-93.89	366.02	4.49	-89.40
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636561	1	39	-2.0	-93.92	366.04	4.49	-89.43
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636562	0	37	-2.0	-96.65	329.57	2.89	-93.76
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636562	1	37	-2.0	-96.66	329.59	2.89	-93.77
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C(=O)OC)O1	REAL300019636563	0	39	-2.0	-92.56	359.97	3.26	-89.30
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C(=O)OC)O1	REAL300019636563	1	39	-2.0	-92.59	359.99	3.26	-89.33
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636564	1	40	-2.0	-95.64	352.24	3.69	-91.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019636565	0	30	-2.0	-96.81	287.57	1.66	-95.15
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019636565	1	30	-2.0	-96.83	287.59	1.66	-95.17
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636566	0	33	-2.0	-97.96	316.62	3.26	-94.70
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636566	1	33	-2.0	-97.93	316.64	3.26	-94.67
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2OCOC2=C1	REAL300019636567	1	33	-2.0	-94.48	309.02	1.50	-92.98
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C2=NC=CC=C2C=C1	REAL300019636568	0	38	-2.0	-112.82	336.78	4.65	-108.17
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C2=NC=CC=C2C=C1	REAL300019636568	1	38	-2.0	-112.79	336.80	4.65	-108.14
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1C1=CC=NO1	REAL300019636569	0	36	-2.0	-107.27	332.23	4.87	-102.40
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1C1=CC=NO1	REAL300019636569	1	36	-2.0	-107.31	332.26	4.87	-102.44
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636570	0	36	-2.0	-101.38	334.60	4.30	-97.08
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636570	1	36	-2.0	-101.36	334.63	4.30	-97.06
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636571	0	32	-2.0	-85.33	315.72	3.54	-81.79
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636571	1	32	-2.0	-85.37	315.75	3.54	-81.83
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636572	0	36	-2.0	-88.97	340.00	4.55	-84.42
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636572	1	36	-2.0	-88.99	339.97	4.56	-84.43
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636572	1	35	-3.0	-153.83	337.69	4.59	-149.24
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636572	1	35	-3.0	-153.78	337.72	4.59	-149.19
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC(Cl)=C1	REAL300019636573	0	30	-2.0	-89.31	306.11	3.43	-85.88
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC(Cl)=C1	REAL300019636573	1	30	-2.0	-89.35	306.13	3.43	-85.92
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)O1	REAL300019636574	0	36	-2.0	-92.63	340.80	2.40	-90.23
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)O1	REAL300019636574	1	36	-2.0	-92.65	340.83	2.40	-90.25
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(Cl)=C1	REAL300019636575	0	29	-2.0	-89.00	294.72	1.54	-87.46
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(Cl)=C1	REAL300019636575	1	29	-2.0	-89.04	294.75	1.55	-87.49
CC1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300019636576	0	36	-2.0	-108.93	349.23	4.23	-104.70
CC1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300019636576	1	36	-2.0	-108.98	349.20	4.24	-104.74
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300019636576	1	35	-3.0	-161.74	342.65	4.37	-157.37
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C(=O)[O-])=C1Cl	REAL300019636576	1	35	-3.0	-161.71	342.67	4.37	-157.34
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)N=C1C	REAL300019636577	0	36	-2.0	-106.24	328.51	2.65	-103.59
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)N=C1C	REAL300019636577	1	36	-2.0	-106.23	328.54	2.65	-103.58
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636578	0	33	-2.0	-98.68	320.87	4.20	-94.48
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636578	1	33	-2.0	-98.72	320.89	4.21	-94.51
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636579	0	33	-2.0	-99.27	317.51	4.06	-95.21
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636579	1	33	-2.0	-99.33	317.54	4.07	-95.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636580	0	36	-3.0	-163.37	339.45	3.62	-159.75
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636580	1	36	-3.0	-163.38	339.47	3.62	-159.76
CCN1C=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636580	1	37	-2.0	-92.96	345.88	3.48	-89.48
CCN1C=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636580	1	37	-2.0	-92.95	345.92	3.47	-89.48
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636581	0	33	-2.0	-95.76	322.85	1.59	-94.17
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636581	1	33	-2.0	-95.80	322.88	1.59	-94.21
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636582	0	42	-2.0	-97.42	359.11	3.42	-94.00
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636582	1	42	-2.0	-97.45	359.14	3.42	-94.03
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CN1C	REAL300019636583	0	40	-2.0	-100.00	366.01	3.87	-96.13
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CN1C	REAL300019636583	1	40	-2.0	-100.05	366.03	3.87	-96.18
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636584	0	38	-2.0	-92.34	345.02	4.90	-87.44
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636584	1	38	-2.0	-92.34	345.04	4.90	-87.44
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=CC=C1Cl	REAL300019636585	0	30	-2.0	-101.99	299.04	3.63	-98.36
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=CC=C1Cl	REAL300019636585	1	30	-2.0	-102.00	299.07	3.63	-98.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=N1	REAL300019636586	0	32	-2.0	-96.66	312.86	2.15	-94.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=N1	REAL300019636586	1	32	-2.0	-96.71	312.88	2.17	-94.54
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636587	0	35	-2.0	-96.56	332.02	3.04	-93.52
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636587	1	35	-2.0	-96.58	332.04	3.04	-93.54
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C2=NC=CC=C12	REAL300019636588	0	37	-2.0	-98.00	348.01	4.03	-93.97
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C2=NC=CC=C12	REAL300019636588	1	37	-2.0	-98.10	348.03	4.03	-94.07
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019636589	1	34	-2.0	-94.09	338.18	4.32	-89.77
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019636589	1	34	-2.0	-94.13	338.21	4.32	-89.81
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636590	0	32	-2.0	-93.46	312.98	1.42	-92.04
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636590	1	32	-2.0	-93.41	313.00	1.42	-91.99
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C12	REAL300019636591	0	37	-2.0	-88.10	344.21	0.55	-87.55
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C12	REAL300019636591	1	37	-2.0	-88.08	344.24	0.55	-87.53
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636592	0	32	-2.0	-92.28	321.10	3.17	-89.11
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636592	1	32	-2.0	-92.28	321.12	3.17	-89.11
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CN=C1Cl	REAL300019636594	0	33	-2.0	-87.69	323.82	0.79	-86.90
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CN=C1Cl	REAL300019636594	1	33	-2.0	-87.71	323.84	0.81	-86.90
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019636595	1	39	-2.0	-94.77	358.89	3.80	-90.97
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019636595	1	39	-2.0	-94.77	358.92	3.81	-90.96
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC3=C2N1CCC3	REAL300019636596	1	42	-2.0	-96.36	367.33	4.29	-92.07
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC3=C2N1CCC3	REAL300019636596	1	42	-2.0	-96.35	367.35	4.28	-92.07
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300019636597	0	32	-2.0	-87.49	317.70	2.06	-85.43
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300019636597	1	32	-2.0	-87.53	317.73	2.08	-85.45
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636598	0	36	-2.0	-94.31	344.16	3.56	-90.75
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636598	1	36	-2.0	-94.30	344.18	3.57	-90.73
O=S(=O)(F)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636599	0	33	-2.0	-96.11	329.56	-0.06	-96.17
O=S(=O)(F)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636599	1	33	-2.0	-96.11	329.58	-0.06	-96.17
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636600	0	45	-2.0	-96.53	375.74	3.86	-92.67
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636600	1	45	-2.0	-96.56	375.77	3.86	-92.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1F	REAL300019636601	1	37	-2.0	-93.76	333.06	2.95	-90.81
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=C1	REAL300019636602	0	31	-2.0	-91.20	316.85	3.80	-87.40
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=C1	REAL300019636602	1	31	-2.0	-91.22	316.87	3.80	-87.42
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2OC=CC2=CC=C1	REAL300019636603	0	33	-2.0	-105.91	310.90	3.16	-102.75
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2OC=CC2=CC=C1	REAL300019636603	1	33	-2.0	-105.93	310.92	3.17	-102.76
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636604	0	35	-2.0	-93.91	332.93	1.70	-92.21
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636604	1	35	-2.0	-93.93	332.95	1.70	-92.23
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636605	0	41	-2.0	-106.24	373.11	2.94	-103.30
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636605	1	41	-2.0	-106.25	373.13	2.94	-103.31
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Br)O1	REAL300019636606	0	27	-2.0	-91.12	287.35	1.57	-89.55
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Br)O1	REAL300019636606	1	27	-2.0	-91.16	287.37	1.57	-89.59
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(C2=CC=CC=C2)S1	REAL300019636607	0	39	-2.0	-104.22	364.19	4.41	-99.81
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(C2=CC=CC=C2)S1	REAL300019636607	1	39	-2.0	-104.30	364.21	4.41	-99.89
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(C2=CC=CC=C2)O1	REAL300019636608	0	39	-2.0	-103.82	357.39	1.93	-101.89
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(C2=CC=CC=C2)O1	REAL300019636608	1	39	-2.0	-103.78	357.42	1.94	-101.84
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300019636609	1	38	-2.0	-96.29	342.66	4.80	-91.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[N+](=O)[O-]	REAL300019636609	1	38	-2.0	-96.27	342.68	4.80	-91.47
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636610	0	40	-2.0	-104.39	346.53	4.60	-99.79
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636610	1	40	-2.0	-104.42	346.55	4.60	-99.82
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C(F)=CC(F)=C1F	REAL300019636611	0	30	-2.0	-94.40	304.04	3.24	-91.16
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C(F)=CC(F)=C1F	REAL300019636611	1	30	-2.0	-94.43	304.07	3.24	-91.19
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636615	1	42	-2.0	-100.99	375.05	5.20	-95.79
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636615	1	42	-2.0	-100.95	375.07	5.20	-95.75
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C(F)=C1Cl	REAL300019636616	0	30	-2.0	-90.24	318.13	3.96	-86.28
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C(F)=C1Cl	REAL300019636616	1	30	-2.0	-90.28	318.15	3.96	-86.32
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636617	0	30	-2.0	-91.15	311.95	3.06	-88.09
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636617	1	30	-2.0	-91.21	311.97	3.06	-88.15
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(OC)=C1	REAL300019636618	0	40	-2.0	-98.70	365.96	3.30	-95.40
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(OC)=C1	REAL300019636618	1	40	-2.0	-98.72	365.98	3.30	-95.42
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C(F)F)=C1	REAL300019636619	1	33	-2.0	-103.34	317.14	3.76	-99.58
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C(F)F)=C1	REAL300019636619	1	33	-2.0	-103.35	317.17	3.78	-99.57
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(F)(F)F)C=C1F	REAL300019636620	0	33	-2.0	-92.69	327.20	3.91	-88.78
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)C=C1F	REAL300019636620	1	33	-2.0	-92.70	327.22	3.91	-88.79
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636621	1	33	-2.0	-94.76	325.67	4.12	-90.64
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636621	1	33	-2.0	-94.78	325.69	4.12	-90.66
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(CC(F)F)N=C1	REAL300019636622	0	33	-2.0	-94.16	322.04	1.70	-92.46
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(CC(F)F)N=C1	REAL300019636622	1	33	-2.0	-94.16	322.06	1.70	-92.46
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636623	0	34	-2.0	-104.16	319.05	3.90	-100.26
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636623	1	34	-2.0	-104.21	319.07	3.91	-100.30
O=S(=O)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636624	0	33	-2.0	-96.94	329.57	-0.07	-97.01
O=S(=O)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636624	1	33	-2.0	-96.95	329.59	-0.05	-97.00
COC(=O)C(CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019636625	1	42	-2.0	-102.37	373.36	5.62	-96.75
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300019636626	0	38	-2.0	-92.00	352.42	4.13	-87.87
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300019636626	1	38	-2.0	-92.00	352.44	4.13	-87.87
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636627	1	39	-2.0	-100.54	336.97	4.84	-95.70
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636627	1	39	-2.0	-100.61	336.99	4.85	-95.76
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=CS1	REAL300019636628	0	36	-2.0	-106.55	338.19	4.01	-102.54
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=CS1	REAL300019636628	1	36	-2.0	-106.61	338.21	4.02	-102.59
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019636629	1	34	-2.0	-90.91	318.68	2.22	-88.69
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1F	REAL300019636629	1	34	-2.0	-90.97	318.71	2.22	-88.75
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=CS1	REAL300019636630	0	29	-2.0	-102.91	295.66	3.24	-99.67
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=CS1	REAL300019636630	1	29	-2.0	-102.99	295.69	3.24	-99.75
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636631	0	29	-2.0	-86.48	278.84	-0.82	-87.30
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636631	1	29	-2.0	-86.50	278.86	-0.82	-87.32
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CN=C21	REAL300019636632	0	35	-2.0	-92.67	327.32	1.97	-90.70
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CN=C21	REAL300019636632	1	35	-2.0	-92.66	327.34	1.97	-90.69
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300019636633	0	29	-2.0	-88.89	304.14	2.60	-86.29
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300019636633	1	29	-2.0	-88.88	304.16	2.61	-86.27
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636635	1	38	-2.0	-99.01	350.14	1.06	-97.95
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636635	1	38	-2.0	-98.95	350.17	1.06	-97.89
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300019636636	0	36	-2.0	-86.45	346.45	3.67	-82.78
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[N+](=O)[O-]	REAL300019636636	1	36	-2.0	-86.49	346.47	3.67	-82.82
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2CCCN12	REAL300019636637	0	34	-2.0	-99.12	310.95	2.28	-96.84
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2CCCN12	REAL300019636637	1	34	-2.0	-99.15	310.97	2.29	-96.86
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636638	0	31	-2.0	-94.75	316.88	3.80	-90.95
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636638	1	31	-2.0	-94.82	316.91	3.80	-91.02
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(CC(F)(F)F)N=C1	REAL300019636639	0	33	-2.0	-95.03	326.93	1.90	-93.13
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(CC(F)(F)F)N=C1	REAL300019636639	1	33	-2.0	-95.11	326.95	1.91	-93.20
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636640	1	36	-2.0	-97.11	313.22	4.55	-92.56
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636641	0	38	-2.0	-110.73	336.95	3.35	-107.38
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636641	1	38	-2.0	-110.73	336.97	3.35	-107.38
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636643	0	33	-2.0	-102.21	302.56	3.82	-98.39
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636643	1	33	-2.0	-102.22	302.59	3.82	-98.40
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636644	1	33	-2.0	-91.81	319.75	4.23	-87.58
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC2=CC=CC(F)=C12	REAL300019636645	0	34	-2.0	-110.05	321.36	2.92	-107.13
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC2=CC=CC(F)=C12	REAL300019636645	1	34	-2.0	-110.06	321.38	2.92	-107.14
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636646	0	43	-2.0	-96.14	374.07	4.34	-91.80
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636646	1	43	-2.0	-96.11	374.10	4.34	-91.77
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Br)C=C1F	REAL300019636647	0	30	-2.0	-94.22	309.76	3.53	-90.69
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Br)C=C1F	REAL300019636647	1	30	-2.0	-94.27	309.79	3.53	-90.74
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C12	REAL300019636648	0	38	-2.0	-112.93	340.86	4.02	-108.91
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C12	REAL300019636648	1	38	-2.0	-112.99	340.88	4.02	-108.97
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636650	0	34	-2.0	-100.80	334.23	0.13	-100.67
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636650	1	34	-2.0	-100.85	334.25	0.13	-100.72
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=NSN=C21	REAL300019636651	0	31	-2.0	-103.86	307.74	1.14	-102.72
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=NSN=C21	REAL300019636651	1	31	-2.0	-103.92	307.76	1.14	-102.78
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636652	0	33	-2.0	-94.41	307.55	0.32	-94.09
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636652	1	33	-2.0	-94.44	307.57	0.32	-94.12
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Br)=C1F	REAL300019636653	0	30	-2.0	-98.43	309.04	3.50	-94.93
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Br)=C1F	REAL300019636653	1	30	-2.0	-98.42	309.07	3.52	-94.90
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1OC	REAL300019636654	0	40	-2.0	-93.90	365.04	3.55	-90.35
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1OC	REAL300019636654	1	40	-2.0	-93.93	365.06	3.56	-90.37
COCCOCCOCCS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636655	1	44	-2.0	-96.42	390.82	0.22	-96.20
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(C3=N[N-]N=N3)C=C1)OCO2	REAL300019636656	1	36	-2.0	-94.78	324.46	2.29	-92.49
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636658	0	36	-2.0	-96.20	333.22	4.06	-92.14
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636658	1	36	-2.0	-96.30	333.25	4.06	-92.24
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636659	0	36	-2.0	-104.99	351.74	4.34	-100.65
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636659	1	36	-2.0	-104.95	351.71	4.35	-100.60
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636659	1	35	-3.0	-158.71	345.21	4.47	-154.24
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636659	1	35	-3.0	-158.77	345.24	4.47	-154.30
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636660	0	40	-2.0	-97.16	353.98	2.69	-94.47
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636660	1	40	-2.0	-97.14	354.00	2.69	-94.45
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636661	0	39	-2.0	-110.66	350.07	5.16	-105.50
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636661	1	39	-2.0	-110.70	350.10	5.16	-105.54
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636662	0	38	-2.0	-100.24	340.02	1.16	-99.08
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636662	1	38	-2.0	-100.19	340.03	1.15	-99.04
O=C1CCC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C12	REAL300019636663	0	36	-2.0	-105.61	344.16	4.39	-101.22
O=C1CCC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C12	REAL300019636663	1	36	-2.0	-105.64	344.18	4.39	-101.25
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636665	0	33	-2.0	-100.96	327.92	0.33	-100.63
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636665	1	33	-2.0	-100.97	327.94	0.34	-100.63
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636666	1	37	-2.0	-97.67	344.15	1.86	-95.81
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636666	1	37	-2.0	-97.73	344.18	1.86	-95.87
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1OC	REAL300019636667	0	38	-2.0	-95.78	354.78	2.61	-93.17
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1OC	REAL300019636667	1	38	-2.0	-95.81	354.80	2.61	-93.20
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OC(F)F)C(F)=C1	REAL300019636668	1	34	-2.0	-93.50	328.44	2.49	-91.01
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(OC(F)F)C(F)=C1	REAL300019636668	1	34	-2.0	-93.53	328.46	2.49	-91.04
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300019636669	0	33	-2.0	-87.62	327.30	3.90	-83.72
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300019636669	1	33	-2.0	-87.59	327.32	3.90	-83.69
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636670	0	35	-2.0	-99.45	339.74	-1.55	-101.00
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636670	1	35	-2.0	-99.51	339.76	-1.55	-101.06
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636671	1	34	-2.0	-100.73	315.82	4.11	-96.62
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636671	1	34	-2.0	-100.77	315.84	4.11	-96.66
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636672	1	34	-2.0	-103.34	325.22	4.00	-99.34
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636672	1	34	-2.0	-103.33	325.25	4.01	-99.32
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1Cl	REAL300019636673	0	30	-2.0	-92.02	312.83	3.92	-88.10
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1Cl	REAL300019636673	1	30	-2.0	-92.00	312.85	3.92	-88.08
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(N)=NO1	REAL300019636675	0	31	-2.0	-88.21	290.50	0.21	-88.00
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(N)=NO1	REAL300019636675	1	31	-2.0	-88.20	290.53	0.21	-87.99
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C=C(F)C=C1Cl	REAL300019636676	0	30	-2.0	-90.40	312.97	4.22	-86.18
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C=C(F)C=C1Cl	REAL300019636676	1	30	-2.0	-90.45	312.99	4.23	-86.22
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636677	0	34	-2.0	-100.90	327.96	3.14	-97.76
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636677	1	34	-2.0	-100.86	327.99	3.15	-97.71
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC(C(F)(F)F)=C1	REAL300019636678	0	31	-2.0	-93.25	310.47	1.61	-91.64
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC(C(F)(F)F)=C1	REAL300019636678	1	31	-2.0	-93.29	310.49	1.61	-91.68
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL300019636680	0	41	-2.0	-98.28	364.22	3.63	-94.65
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636681	1	37	-2.0	-100.03	327.93	2.91	-97.12
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636681	1	37	-2.0	-100.03	327.95	2.92	-97.11
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019636682	1	37	-2.0	-94.66	343.95	3.46	-91.20
O=[N+]([O-])C1=CC(Cl)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636683	0	32	-2.0	-89.23	332.85	4.07	-85.16
O=[N+]([O-])C1=CC(Cl)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636683	1	32	-2.0	-89.26	332.88	4.08	-85.18
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636685	0	28	-2.0	-88.93	295.47	2.39	-86.54
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636685	1	28	-2.0	-88.91	295.50	2.40	-86.51
O=[N+]([O-])C1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019636686	0	32	-2.0	-85.64	329.13	3.96	-81.68
O=[N+]([O-])C1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019636686	1	32	-2.0	-85.66	329.15	3.96	-81.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636687	0	32	-2.0	-95.00	299.58	1.66	-93.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636687	1	32	-2.0	-95.05	299.61	1.67	-93.38
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2N=C1	REAL300019636688	0	35	-2.0	-97.29	324.17	3.20	-94.09
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2N=C1	REAL300019636688	1	35	-2.0	-97.33	324.19	3.20	-94.13
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019636689	0	36	-2.0	-95.89	343.22	3.57	-92.32
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019636689	1	36	-2.0	-95.90	343.24	3.57	-92.33
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636690	0	36	-2.0	-92.09	342.28	3.53	-88.56
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636690	1	36	-2.0	-92.04	342.30	3.53	-88.51
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636691	0	38	-2.0	-107.07	359.11	4.68	-102.39
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636691	1	38	-2.0	-107.10	359.13	4.69	-102.41
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C#N	REAL300019636692	1	34	-2.0	-90.62	322.94	3.73	-86.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C#N	REAL300019636692	1	34	-2.0	-90.60	322.96	3.73	-86.87
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(Cl)C(F)=C1	REAL300019636693	0	29	-2.0	-83.96	300.71	1.52	-82.44
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(Cl)C(F)=C1	REAL300019636693	1	29	-2.0	-84.00	300.73	1.52	-82.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019636694	0	34	-2.0	-98.94	317.95	2.20	-96.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019636694	1	34	-2.0	-98.91	317.97	2.20	-96.71
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1[N+](=O)[O-]	REAL300019636695	0	38	-2.0	-108.89	343.75	6.03	-102.86
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1[N+](=O)[O-]	REAL300019636695	1	38	-2.0	-108.90	343.77	6.03	-102.87
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(CC(F)(F)F)C=C1	REAL300019636696	1	36	-2.0	-97.84	343.96	4.63	-93.21
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(CC(F)(F)F)C=C1	REAL300019636696	1	36	-2.0	-97.85	343.98	4.63	-93.22
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2OC1	REAL300019636697	1	36	-2.0	-96.86	328.66	3.36	-93.50
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(F)F)C=C1	REAL300019636698	1	33	-2.0	-95.14	315.15	3.71	-91.43
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)F)C=C1	REAL300019636698	1	33	-2.0	-95.19	315.17	3.71	-91.48
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300019636699	1	40	-2.0	-101.80	357.19	6.26	-95.54
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300019636699	1	40	-2.0	-101.83	357.21	6.26	-95.57
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)N(C)N=C1	REAL300019636701	0	33	-2.0	-90.31	298.83	1.36	-88.95
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)N(C)N=C1	REAL300019636701	1	33	-2.0	-90.32	298.85	1.36	-88.96
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636702	0	39	-2.0	-101.95	365.09	4.48	-97.47
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636702	1	39	-2.0	-101.97	365.12	4.48	-97.49
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019636704	0	28	-2.0	-89.51	286.90	1.38	-88.13
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019636704	1	28	-2.0	-89.46	286.92	1.38	-88.08
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC=C1	REAL300019636705	0	27	-2.0	-93.96	274.07	1.75	-92.21
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC=C1	REAL300019636705	1	27	-2.0	-93.96	274.09	1.75	-92.21
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636706	0	41	-2.0	-106.34	366.30	2.35	-103.99
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636706	1	41	-2.0	-106.36	366.32	2.36	-104.00
CC1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C(=O)[O-]	REAL300019636707	0	36	-2.0	-95.38	333.89	3.83	-91.55
CC1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C(=O)[O-]	REAL300019636707	1	36	-2.0	-95.34	333.87	3.83	-91.51
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C(=O)[O-]	REAL300019636707	1	35	-3.0	-150.23	327.44	3.95	-146.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636708	0	33	-2.0	-91.25	310.14	-0.47	-91.72
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636708	1	33	-2.0	-91.29	310.16	-0.46	-91.75
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC=C1F	REAL300019636709	0	30	-2.0	-96.95	305.20	3.43	-93.52
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC=C1F	REAL300019636709	1	30	-2.0	-97.02	305.22	3.43	-93.59
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636711	0	41	-2.0	-98.49	361.10	3.97	-94.52
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636712	0	39	-2.0	-99.39	360.49	5.62	-93.77
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636712	1	39	-2.0	-99.44	360.52	5.62	-93.82
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636713	0	39	-2.0	-99.07	356.32	5.33	-93.74
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636713	1	39	-2.0	-99.13	356.34	5.33	-93.80
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC2=CC=CC=C12	REAL300019636714	0	33	-2.0	-99.09	319.54	4.20	-94.89
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC2=CC=CC=C12	REAL300019636714	1	33	-2.0	-99.08	319.56	4.20	-94.88
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636715	1	42	-2.0	-103.90	381.79	5.21	-98.69
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636715	1	42	-2.0	-103.92	381.81	5.21	-98.71
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636716	0	36	-2.0	-109.57	343.67	4.88	-104.69
COC(=O)C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636716	1	36	-2.0	-109.57	343.69	4.88	-104.69
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)N(C)N=C1	REAL300019636717	0	39	-2.0	-97.48	354.03	2.85	-94.63
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)N(C)N=C1	REAL300019636717	1	39	-2.0	-97.51	354.06	2.85	-94.66
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C	REAL300019636718	1	42	-2.0	-95.44	375.67	4.95	-90.49
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C	REAL300019636718	1	42	-2.0	-95.45	375.69	4.95	-90.50
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=C2O1	REAL300019636719	0	41	-2.0	-109.25	360.83	4.05	-105.20
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=C2O1	REAL300019636719	1	41	-2.0	-109.20	360.86	4.05	-105.15
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C(F)(F)F	REAL300019636720	1	34	-2.0	-87.41	339.64	4.03	-83.38
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C(F)(F)F	REAL300019636720	1	34	-2.0	-87.48	339.66	4.03	-83.45
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1OCO2	REAL300019636721	0	33	-2.0	-102.10	309.58	1.48	-100.62
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OCO2	REAL300019636721	1	33	-2.0	-102.13	309.60	1.48	-100.65
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636722	1	36	-2.0	-90.69	337.11	4.64	-86.05
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636723	1	37	-2.0	-99.73	334.33	3.07	-96.66
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636723	1	37	-2.0	-99.77	334.35	3.07	-96.70
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C=CC(F)=C1F	REAL300019636724	0	30	-2.0	-98.45	305.31	3.70	-94.75
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C=CC(F)=C1F	REAL300019636724	1	30	-2.0	-98.44	305.33	3.70	-94.74
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636725	0	36	-2.0	-121.15	327.38	0.43	-120.72
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300019636726	1	39	-2.0	-99.93	350.27	5.78	-94.15
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300019636726	1	39	-2.0	-99.91	350.29	5.79	-94.12
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C=CS1	REAL300019636727	0	27	-2.0	-96.87	290.95	2.29	-94.58
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C=CS1	REAL300019636727	1	27	-2.0	-96.86	290.97	2.30	-94.56
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636728	0	30	-2.0	-96.12	296.54	2.50	-93.62
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636728	1	30	-2.0	-96.09	296.57	2.51	-93.58
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636729	1	43	-2.0	-102.45	379.42	3.20	-99.25
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNN=C1Cl	REAL300019636730	0	27	-2.0	-93.05	281.25	-0.35	-93.40
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNN=C1Cl	REAL300019636730	1	27	-2.0	-93.13	281.28	-0.34	-93.47
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C(Cl)C=CN=C12	REAL300019636731	0	35	-2.0	-104.73	337.48	3.90	-100.83
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C(Cl)C=CN=C12	REAL300019636731	1	35	-2.0	-104.73	337.51	3.90	-100.83
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)N=C1F	REAL300019636732	0	29	-2.0	-91.63	289.89	0.96	-90.67
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)N=C1F	REAL300019636732	1	29	-2.0	-91.64	289.91	0.96	-90.68
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636733	0	37	-2.0	-93.69	351.19	3.14	-90.55
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636733	1	37	-2.0	-93.72	351.21	3.15	-90.57
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636734	0	39	-2.0	-92.18	347.50	1.91	-90.27
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636734	1	39	-2.0	-92.22	347.52	1.91	-90.31
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636735	0	39	-2.0	-91.61	352.14	1.39	-90.22
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636735	1	39	-2.0	-91.58	352.17	1.39	-90.19
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OC2CC2)C=C1	REAL300019636737	1	38	-2.0	-95.74	343.51	3.81	-91.93
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC(F)=CC=C2O1	REAL300019636738	0	33	-2.0	-93.58	319.15	3.30	-90.28
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC(F)=CC=C2O1	REAL300019636738	1	33	-2.0	-93.55	319.17	3.31	-90.24
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C2=CC=CC=C2S1	REAL300019636739	0	33	-2.0	-99.29	334.26	4.91	-94.38
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C2=CC=CC=C2S1	REAL300019636739	1	33	-2.0	-99.28	334.28	4.91	-94.37
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636740	0	35	-2.0	-103.66	330.04	1.82	-101.84
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636740	1	35	-2.0	-103.67	330.06	1.83	-101.84
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636741	0	29	-2.0	-90.34	291.46	1.14	-89.20
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636741	1	29	-2.0	-90.41	291.48	1.14	-89.27
O=[N+]([O-])C1=CC(F)=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636742	0	32	-2.0	-93.46	326.66	4.83	-88.63
O=[N+]([O-])C1=CC(F)=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636742	1	32	-2.0	-93.52	326.68	4.83	-88.69
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C(F)(F)F)=CC=C1O	REAL300019636744	0	34	-2.0	-95.78	331.80	1.55	-94.23
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSN=C1C1=CC=CC=C1	REAL300019636745	0	36	-2.0	-92.12	338.88	4.24	-87.88
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSN=C1C1=CC=CC=C1	REAL300019636745	1	36	-2.0	-92.13	338.90	4.24	-87.89
O=S(=O)(N=S1(=O)CCCC1)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636746	0	34	-2.0	-122.06	314.15	0.13	-121.93
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2CC2)C=C1	REAL300019636747	1	37	-2.0	-97.31	332.19	4.95	-92.36
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=CS1	REAL300019636748	0	27	-2.0	-99.31	281.25	1.88	-97.43
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=CS1	REAL300019636748	1	27	-2.0	-99.37	281.27	1.89	-97.48
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2NC1=O	REAL300019636749	1	39	-2.0	-94.10	354.03	2.58	-91.52
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C2NC1=O	REAL300019636749	1	39	-2.0	-94.12	354.05	2.58	-91.54
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN=C1OCC(F)F	REAL300019636750	0	36	-2.0	-109.40	343.79	1.27	-108.13
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN=C1OCC(F)F	REAL300019636750	1	36	-2.0	-109.37	343.81	1.28	-108.09
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C(F)(F)F)=N1	REAL300019636751	0	33	-2.0	-96.68	322.95	1.69	-94.99
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C(F)(F)F)=N1	REAL300019636751	1	33	-2.0	-96.74	322.97	1.69	-95.05
O=C1CCCC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C12	REAL300019636752	0	39	-2.0	-97.19	347.80	4.44	-92.75
O=C1CCCC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C12	REAL300019636752	1	39	-2.0	-97.13	347.82	4.44	-92.69
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636753	0	31	-2.0	-88.23	309.68	3.28	-84.95
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636753	1	31	-2.0	-88.23	309.71	3.28	-84.95
COC(CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019636754	0	40	-2.0	-97.69	358.84	3.53	-94.16
COC(=O)C1(CS(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL300019636755	1	45	-2.0	-102.47	368.53	4.38	-98.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(F)C=C1[N+](=O)[O-]	REAL300019636756	0	35	-2.0	-89.44	335.33	4.20	-85.24
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(F)C=C1[N+](=O)[O-]	REAL300019636756	1	35	-2.0	-89.45	335.36	4.21	-85.24
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636757	0	36	-2.0	-110.94	334.18	4.16	-106.78
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636757	1	36	-2.0	-110.94	334.15	4.18	-106.76
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636757	1	35	-3.0	-162.26	331.38	4.22	-158.04
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C2=NON=C21	REAL300019636758	0	31	-2.0	-95.12	315.86	2.13	-92.99
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C2=NON=C21	REAL300019636758	1	31	-2.0	-95.17	315.88	2.14	-93.03
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1[N+](=O)[O-]	REAL300019636759	0	34	-3.0	-172.72	335.16	5.26	-167.46
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1[N+](=O)[O-]	REAL300019636759	1	34	-3.0	-172.68	335.18	5.26	-167.42
COCC1(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019636760	1	34	-2.0	-100.72	304.51	1.88	-98.84
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636761	0	30	-2.0	-120.17	288.32	-1.21	-121.38
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(F)C=C1C	REAL300019636762	0	39	-2.0	-96.59	359.24	4.10	-92.49
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(F)C=C1C	REAL300019636762	1	39	-2.0	-96.60	359.26	4.10	-92.50
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(F)(F)F)S1	REAL300019636763	0	30	-2.0	-89.13	315.54	3.03	-86.10
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)S1	REAL300019636763	1	30	-2.0	-89.17	315.56	3.04	-86.13
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2OCCCN2N=C1	REAL300019636764	0	35	-2.0	-102.64	319.96	-0.24	-102.88
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2OCCCN2N=C1	REAL300019636764	1	35	-2.0	-102.64	319.98	-0.24	-102.88
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636765	0	33	-2.0	-99.13	314.41	3.38	-95.75
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636765	1	33	-2.0	-99.14	314.44	3.38	-95.76
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CN=C1C	REAL300019636766	0	38	-2.0	-90.00	349.21	2.18	-87.82
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CN=C1C	REAL300019636766	1	38	-2.0	-89.98	349.23	2.18	-87.80
O=[N+]([O-])C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636767	0	31	-2.0	-87.22	306.35	1.70	-85.52
O=[N+]([O-])C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636767	1	31	-2.0	-87.19	306.37	1.71	-85.48
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636768	0	32	-2.0	-88.71	310.52	2.23	-86.48
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636768	1	32	-2.0	-88.70	310.54	2.23	-86.47
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(Br)N1C	REAL300019636769	0	33	-2.0	-104.72	323.58	2.29	-102.43
CC1=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(Br)N1C	REAL300019636769	1	33	-2.0	-104.72	323.60	2.29	-102.43
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C(F)(F)F	REAL300019636770	1	36	-2.0	-90.65	337.40	4.36	-86.29
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C(F)(F)F	REAL300019636770	1	36	-2.0	-90.62	337.43	4.36	-86.26
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636771	1	39	-2.0	-104.03	359.93	4.27	-99.76
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636771	1	39	-2.0	-104.07	359.95	4.28	-99.79
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2ON=C(Cl)C2=C1	REAL300019636772	1	32	-2.0	-88.31	322.73	2.71	-85.60
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2ON=C(Cl)C2=C1	REAL300019636772	1	32	-2.0	-88.36	322.75	2.72	-85.64
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1C	REAL300019636776	0	33	-2.0	-96.24	305.88	1.05	-95.19
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C	REAL300019636776	1	33	-2.0	-96.29	305.90	1.05	-95.24
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636777	1	34	-2.0	-97.94	314.05	3.93	-94.01
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636778	1	43	-2.0	-108.32	376.92	3.70	-104.62
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636778	1	43	-2.0	-108.33	376.95	3.70	-104.63
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636779	0	33	-2.0	-95.82	308.17	1.15	-94.67
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636779	1	33	-2.0	-95.81	308.19	1.15	-94.66
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636780	1	37	-2.0	-95.24	354.77	3.07	-92.17
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636780	1	37	-2.0	-95.25	354.79	3.08	-92.17
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636781	0	30	-2.0	-88.85	298.84	1.44	-87.41
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636781	1	30	-2.0	-88.85	298.86	1.45	-87.40
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636782	1	38	-2.0	-93.30	331.25	2.81	-90.49
O=C1C=NC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2N1	REAL300019636783	1	35	-2.0	-95.19	329.40	0.03	-95.16
O=C1C=NC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C2N1	REAL300019636783	1	35	-2.0	-95.19	329.42	0.03	-95.16
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNN=C1C(F)(F)F	REAL300019636784	0	30	-2.0	-93.94	298.64	0.37	-93.57
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNN=C1C(F)(F)F	REAL300019636784	1	30	-2.0	-93.94	298.66	0.37	-93.57
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=NN1C1=CC=CC=C1	REAL300019636785	0	36	-2.0	-90.98	329.27	2.76	-88.22
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=NN1C1=CC=CC=C1	REAL300019636785	1	36	-2.0	-90.93	329.29	2.76	-88.17
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C12	REAL300019636786	0	44	-2.0	-101.70	377.43	5.00	-96.70
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C12	REAL300019636786	1	44	-2.0	-101.70	377.45	5.00	-96.70
COC(=O)C1(CS(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300019636787	1	42	-2.0	-102.08	356.34	4.01	-98.07
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2SC(Cl)=NC2=C1	REAL300019636788	1	32	-2.0	-94.66	331.13	2.76	-91.90
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2SC(Cl)=NC2=C1	REAL300019636788	1	32	-2.0	-94.69	331.15	2.77	-91.92
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019636789	0	38	-2.0	-100.49	356.72	2.50	-97.99
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019636789	1	38	-2.0	-100.51	356.74	2.51	-98.00
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300019636790	0	38	-2.0	-88.34	354.12	1.41	-86.93
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300019636790	1	38	-2.0	-88.38	354.14	1.41	-86.97
O=C1CCOC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C12	REAL300019636791	1	37	-2.0	-102.81	338.95	2.59	-100.22
O=C1NC2=CC(F)=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2O1	REAL300019636792	0	33	-2.0	-94.02	320.20	0.41	-93.61
O=C1NC2=CC(F)=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2O1	REAL300019636792	1	33	-2.0	-94.04	320.22	0.41	-93.63
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1Cl	REAL300019636793	1	34	-2.0	-91.50	328.49	2.69	-88.81
COC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1Cl	REAL300019636793	1	34	-2.0	-91.51	328.51	2.70	-88.81
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636794	0	34	-2.0	-106.16	334.56	-0.52	-106.68
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636794	1	34	-2.0	-106.18	334.58	-0.52	-106.70
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL300019636795	0	32	-3.0	-168.79	315.05	3.43	-165.36
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL300019636795	1	32	-3.0	-168.82	315.07	3.43	-165.39
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Br)NC=N1	REAL300019636796	0	27	-2.0	-100.66	282.33	0.84	-99.82
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Br)NC=N1	REAL300019636796	1	27	-2.0	-100.67	282.35	0.85	-99.82
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2N=CSC2=CC=C1	REAL300019636797	0	32	-2.0	-107.80	314.17	2.26	-105.54
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2N=CSC2=CC=C1	REAL300019636797	1	32	-2.0	-107.78	314.19	2.26	-105.52
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2CCOC2=C1	REAL300019636798	1	35	-2.0	-100.08	318.77	2.68	-97.40
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2CCOC2=C1	REAL300019636798	1	35	-2.0	-100.11	318.79	2.68	-97.43
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C2=CC=CC=C2C=C1	REAL300019636800	0	36	-2.0	-104.80	333.49	5.15	-99.65
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C2=CC=CC=C2C=C1	REAL300019636800	1	36	-2.0	-104.76	333.51	5.15	-99.61
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1OC(F)(F)O2	REAL300019636801	0	33	-2.0	-100.61	323.13	1.91	-98.70
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OC(F)(F)O2	REAL300019636801	1	33	-2.0	-100.64	323.15	1.91	-98.73
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636802	0	36	-2.0	-102.18	351.39	4.36	-97.82
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636802	1	36	-2.0	-102.27	351.42	4.38	-97.89
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636804	0	33	-2.0	-98.88	310.09	4.35	-94.53
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636804	1	33	-2.0	-98.91	310.11	4.35	-94.56
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC=C1OC(F)F	REAL300019636805	0	34	-2.0	-95.68	327.39	2.96	-92.72
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC=C1OC(F)F	REAL300019636805	1	34	-2.0	-95.75	327.41	2.97	-92.78
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1OCC2	REAL300019636806	0	35	-2.0	-106.97	319.28	2.66	-104.31
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OCC2	REAL300019636806	1	35	-2.0	-107.04	319.30	2.66	-104.38
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636807	0	39	-2.0	-100.07	365.38	4.32	-95.75
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636807	1	39	-2.0	-100.09	365.41	4.33	-95.76
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CC(C)=C2S1	REAL300019636808	0	39	-2.0	-99.91	354.03	5.84	-94.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC(C)=C2S1	REAL300019636808	1	39	-2.0	-99.97	354.06	5.84	-94.13
CCC(CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1)OC	REAL300019636809	1	36	-2.0	-96.17	316.47	1.55	-94.62
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636810	1	43	-2.0	-96.59	380.53	4.31	-92.28
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636811	1	42	-2.0	-96.00	356.83	2.91	-93.09
O=S(=O)(CCOCC1CC1)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636812	1	37	-2.0	-91.79	333.39	2.20	-89.59
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019636814	0	33	-2.0	-103.88	312.88	3.80	-100.08
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019636814	1	33	-2.0	-103.90	312.90	3.80	-100.10
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CN=C1Cl	REAL300019636815	0	29	-2.0	-89.84	308.01	2.03	-87.81
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CN=C1Cl	REAL300019636815	1	29	-2.0	-89.85	308.03	2.04	-87.81
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1Br	REAL300019636816	0	30	-2.0	-92.43	306.56	0.99	-91.44
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1Br	REAL300019636816	1	30	-2.0	-92.42	306.58	1.00	-91.42
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019636817	0	35	-2.0	-96.92	326.82	1.29	-95.63
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019636817	1	35	-2.0	-96.98	326.84	1.29	-95.69
CS(=O)(=NS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019636818	0	37	-2.0	-117.28	345.18	1.56	-115.72
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636819	0	36	-2.0	-104.20	342.89	3.95	-100.25
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636819	1	36	-2.0	-104.16	342.87	3.96	-100.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300019636819	1	35	-3.0	-156.68	336.39	4.08	-152.60
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300019636819	1	35	-3.0	-156.66	336.42	4.08	-152.58
COC(CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL300019636820	1	37	-2.0	-96.97	325.77	2.23	-94.74
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636821	0	34	-2.0	-101.12	317.63	2.69	-98.43
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636821	1	34	-2.0	-101.11	317.66	2.69	-98.42
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2OC(F)(F)OC2=C1	REAL300019636822	1	33	-2.0	-88.20	322.55	1.94	-86.26
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2OC(F)(F)OC2=C1	REAL300019636822	1	33	-2.0	-88.25	322.57	1.94	-86.31
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300019636823	0	38	-2.0	-95.90	345.38	4.67	-91.23
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[N+](=O)[O-]	REAL300019636823	1	38	-2.0	-95.90	345.40	4.67	-91.23
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636824	0	46	-2.0	-106.05	387.40	4.95	-101.10
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636824	1	46	-2.0	-106.01	387.42	4.96	-101.05
COC(CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOCC1	REAL300019636825	1	44	-2.0	-96.98	368.01	1.35	-95.63
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1Cl	REAL300019636826	0	33	-2.0	-88.30	326.22	0.08	-88.22
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1Cl	REAL300019636826	1	33	-2.0	-88.34	326.25	0.08	-88.26
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636827	0	29	-2.0	-88.24	279.92	0.80	-87.44
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636827	1	29	-2.0	-88.30	279.94	0.80	-87.50
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300019636828	0	34	-2.0	-92.91	332.71	0.99	-91.92
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1Cl	REAL300019636829	1	33	-2.0	-92.44	318.43	3.95	-88.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1Cl	REAL300019636829	1	33	-2.0	-92.44	318.45	3.95	-88.49
O=C1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C12	REAL300019636830	1	36	-2.0	-106.25	331.06	3.83	-102.42
O=C1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C12	REAL300019636830	1	36	-2.0	-106.27	331.08	3.83	-102.44
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)=N1	REAL300019636831	1	39	-2.0	-96.08	369.20	4.31	-91.77
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)=N1	REAL300019636831	1	39	-2.0	-96.08	369.22	4.31	-91.77
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636832	0	39	-2.0	-102.75	363.52	4.19	-98.56
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636832	1	39	-2.0	-102.81	363.54	4.19	-98.62
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C([N+](=O)[O-])S1	REAL300019636833	0	32	-2.0	-103.05	317.55	4.04	-99.01
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C([N+](=O)[O-])S1	REAL300019636833	1	32	-2.0	-103.03	317.57	4.04	-98.99
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636834	0	35	-2.0	-110.58	325.08	-1.19	-111.77
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2S1	REAL300019636835	1	33	-2.0	-92.48	324.97	1.03	-91.45
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2S1	REAL300019636835	1	33	-2.0	-92.48	324.99	1.04	-91.44
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN=C1F	REAL300019636836	0	29	-2.0	-99.12	283.47	1.03	-98.09
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN=C1F	REAL300019636836	1	29	-2.0	-99.13	283.49	1.03	-98.10
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)N=C1	REAL300019636839	0	29	-2.0	-87.95	284.38	1.00	-86.95
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)N=C1	REAL300019636839	1	29	-2.0	-87.99	284.40	1.00	-86.99
O=S(=O)(CCOCC1CCC1)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636840	1	40	-2.0	-91.83	349.95	2.74	-89.09
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=NC(Cl)=CC=C2S1	REAL300019636841	0	32	-2.0	-95.44	333.56	2.82	-92.62
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=NC(Cl)=CC=C2S1	REAL300019636841	1	32	-2.0	-95.48	333.58	2.82	-92.66
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=CS1	REAL300019636842	0	28	-2.0	-100.19	293.37	2.23	-97.96
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=CS1	REAL300019636842	1	28	-2.0	-100.23	293.40	2.23	-98.00
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636843	0	37	-2.0	-100.65	350.78	4.59	-96.06
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636843	1	37	-2.0	-100.63	350.81	4.59	-96.04
COC(CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C(C)C	REAL300019636845	1	39	-2.0	-97.31	332.47	2.06	-95.25
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C(F)=C1	REAL300019636846	1	30	-2.0	-89.09	305.56	3.41	-85.68
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C(F)=C1	REAL300019636846	1	30	-2.0	-89.12	305.58	3.41	-85.71
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1OCCCO2	REAL300019636847	0	39	-2.0	-103.37	344.65	3.19	-100.18
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OCCCO2	REAL300019636847	1	39	-2.0	-103.36	344.68	3.20	-100.16
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300019636848	1	37	-2.0	-102.34	348.08	0.70	-101.64
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300019636848	1	37	-2.0	-102.41	348.11	0.70	-101.71
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1OCCC2	REAL300019636849	0	38	-2.0	-106.87	335.16	4.05	-102.82
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OCCC2	REAL300019636849	1	38	-2.0	-106.86	335.19	4.06	-102.80
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636850	0	40	-2.0	-96.95	358.76	1.76	-95.19
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636850	1	40	-2.0	-97.05	358.78	1.76	-95.29
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300019636851	0	39	-2.0	-95.39	365.08	4.50	-90.89
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300019636851	1	39	-2.0	-95.38	365.10	4.50	-90.88
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636857	1	37	-2.0	-107.79	338.89	0.28	-107.51
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636857	1	37	-2.0	-107.79	338.91	0.28	-107.51
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)NC1=O	REAL300019636858	0	33	-2.0	-100.39	311.37	-0.45	-100.84
CC(C)OC1(CS(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)CCOC1	REAL300019636859	0	44	-2.0	-98.66	358.84	1.88	-96.78
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC3=C2N1CC3	REAL300019636860	1	42	-2.0	-96.82	367.22	4.27	-92.55
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC3=C2N1CC3	REAL300019636860	1	42	-2.0	-96.81	367.24	4.28	-92.53
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=C2)=N1	REAL300019636861	1	42	-2.0	-100.03	376.03	2.75	-97.28
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=C2)=N1	REAL300019636861	1	42	-2.0	-100.04	376.05	2.75	-97.29
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)N(C)N=C1	REAL300019636862	0	36	-2.0	-97.25	332.17	1.92	-95.33
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)N(C)N=C1	REAL300019636862	1	36	-2.0	-97.26	332.19	1.92	-95.34
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019636863	1	41	-2.0	-100.01	367.70	1.93	-98.08
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL300019636863	1	41	-2.0	-100.00	367.72	1.94	-98.06
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636864	0	35	-2.0	-85.50	338.71	4.68	-80.82
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636864	1	35	-2.0	-85.55	338.73	4.69	-80.86
COC(CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1	REAL300019636865	0	40	-2.0	-95.14	364.15	4.00	-91.14
CCOC(CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL300019636866	1	40	-2.0	-97.37	346.42	3.21	-94.16
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=CC2=NC=CC=C21	REAL300019636867	0	37	-2.0	-104.24	349.44	4.64	-99.60
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=CC2=NC=CC=C21	REAL300019636867	1	37	-2.0	-104.24	349.46	4.64	-99.60
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300019636868	0	33	-2.0	-96.64	304.56	1.77	-94.87
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300019636868	1	33	-2.0	-96.70	304.58	1.77	-94.93
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL300019636869	0	36	-2.0	-97.95	347.79	3.58	-94.37
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL300019636869	1	36	-2.0	-97.97	347.81	3.58	-94.39
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636870	1	43	-2.0	-100.15	373.00	4.50	-95.65
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636870	1	43	-2.0	-100.17	373.02	4.50	-95.67
COC(CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1	REAL300019636871	1	43	-2.0	-95.42	355.20	3.27	-92.15
COC(CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1	REAL300019636872	1	46	-2.0	-96.72	375.09	3.65	-93.07
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019636873	0	43	-2.0	-94.04	383.94	5.18	-88.86
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300019636873	1	43	-2.0	-94.03	383.97	5.18	-88.85
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636874	0	35	-2.0	-101.80	328.21	4.94	-96.86
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636874	1	35	-2.0	-101.85	328.24	4.94	-96.91
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CN1CC1CC1	REAL300019636875	0	43	-2.0	-106.52	381.67	4.78	-101.74
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CN1CC1CC1	REAL300019636875	1	43	-2.0	-106.50	381.70	4.79	-101.71
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019636876	0	36	-2.0	-92.18	340.41	2.22	-89.96
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019636876	1	36	-2.0	-92.22	340.43	2.22	-90.00
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C1	REAL300019636877	1	41	-2.0	-103.39	366.75	3.35	-100.04
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C1	REAL300019636877	1	41	-2.0	-103.35	366.77	3.35	-100.00
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(C2CC2)S1	REAL300019636878	0	33	-2.0	-94.11	322.72	2.35	-91.76
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(C2CC2)S1	REAL300019636878	1	33	-2.0	-94.13	322.74	2.35	-91.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1[N+](=O)[O-]	REAL300019636879	1	38	-2.0	-93.18	347.05	5.15	-88.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=C1[N+](=O)[O-]	REAL300019636879	1	38	-2.0	-93.18	347.07	5.17	-88.01
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC2=CC=CC=C21	REAL300019636880	0	39	-2.0	-119.96	354.76	5.47	-114.49
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC2=CC=CC=C21	REAL300019636880	1	39	-2.0	-119.94	354.74	5.47	-114.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC2=CC=CC=C21	REAL300019636880	1	38	-3.0	-173.35	352.48	5.52	-167.83
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC2=CC=CC=C21	REAL300019636880	1	38	-3.0	-173.35	352.50	5.52	-167.83
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636881	0	33	-2.0	-85.56	324.54	1.46	-84.10
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636881	1	33	-2.0	-85.62	324.56	1.47	-84.15
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)N=C1F	REAL300019636882	0	29	-2.0	-92.24	300.34	1.45	-90.79
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)N=C1F	REAL300019636882	1	29	-2.0	-92.19	300.36	1.45	-90.74
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2CCC3=C2C1=CC=C3	REAL300019636883	1	40	-2.0	-108.01	349.07	6.24	-101.77
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2CCC3=C2C1=CC=C3	REAL300019636883	1	40	-2.0	-108.07	349.09	6.25	-101.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1F	REAL300019636885	0	33	-2.0	-99.46	315.05	3.62	-95.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1F	REAL300019636885	1	33	-2.0	-99.53	315.07	3.62	-95.91
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Br)N=C1F	REAL300019636886	0	29	-2.0	-92.34	304.94	1.52	-90.82
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Br)N=C1F	REAL300019636886	1	29	-2.0	-92.39	304.96	1.52	-90.87
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)OC=C1	REAL300019636887	0	33	-2.0	-106.37	319.23	1.86	-104.51
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)OC=C1	REAL300019636887	1	33	-2.0	-106.38	319.26	1.86	-104.52
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019636889	0	32	-2.0	-108.66	310.06	1.82	-106.84
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019636889	1	32	-2.0	-108.63	310.08	1.82	-106.81
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=N1	REAL300019636890	0	42	-2.0	-95.43	372.72	3.56	-91.87
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=N1	REAL300019636890	1	42	-2.0	-95.41	372.74	3.56	-91.85
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636891	1	43	-2.0	-97.16	378.06	4.35	-92.81
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636892	0	31	-3.0	-161.79	307.64	1.52	-160.27
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636892	1	31	-3.0	-161.82	307.66	1.54	-160.28
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636893	0	34	-2.0	-97.55	315.76	2.98	-94.57
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636893	1	34	-2.0	-97.58	315.79	3.00	-94.58
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(C)C	REAL300019636894	1	46	-2.0	-97.08	392.92	5.09	-91.99
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636895	1	42	-2.0	-94.59	361.20	5.11	-89.48
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636895	1	42	-2.0	-94.65	361.22	5.11	-89.54
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636896	0	31	-2.0	-89.18	310.21	3.30	-85.88
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636896	1	31	-2.0	-89.20	310.23	3.30	-85.90
CS(=O)(=NS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1F	REAL300019636897	0	37	-2.0	-118.93	351.60	1.70	-117.23
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1C(F)(F)F	REAL300019636898	0	33	-2.0	-92.48	316.13	1.47	-91.01
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1C(F)(F)F	REAL300019636898	1	33	-2.0	-92.49	316.15	1.47	-91.02
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC2=NC=NC=C12	REAL300019636899	0	32	-2.0	-95.70	306.24	1.89	-93.81
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2NC=NC=C12	REAL300019636899	1	32	-2.0	-108.73	306.14	2.03	-106.70
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC2=NC=NC=C12	REAL300019636899	1	32	-2.0	-95.75	306.26	1.89	-93.86
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC2=CC=CC=C12	REAL300019636900	0	34	-2.0	-104.23	316.71	2.81	-101.42
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC2=CC=CC=C12	REAL300019636900	1	34	-2.0	-104.20	316.73	2.81	-101.39
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636901	0	40	-2.0	-94.03	343.95	2.96	-91.07
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636901	1	40	-2.0	-94.05	343.97	2.96	-91.09
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C(C)(C)C)=N1	REAL300019636902	0	42	-2.0	-94.86	351.27	3.43	-91.43
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C(C)(C)C)=N1	REAL300019636902	1	42	-2.0	-94.87	351.29	3.43	-91.44
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CCCC2)N=C1	REAL300019636904	0	40	-2.0	-94.86	350.38	3.19	-91.67
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CCCC2)N=C1	REAL300019636904	1	40	-2.0	-94.90	350.40	3.20	-91.70
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636905	0	33	-2.0	-88.86	317.29	1.74	-87.12
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636905	1	33	-2.0	-88.89	317.31	1.74	-87.15
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(Br)=N1	REAL300019636906	0	30	-2.0	-95.47	308.21	1.05	-94.42
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(Br)=N1	REAL300019636906	1	30	-2.0	-95.43	308.23	1.05	-94.38
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1(COCC2=CC=CC=C2)CC1	REAL300019636908	1	44	-2.0	-102.39	383.91	5.79	-96.60
CS(=O)(=NS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1	REAL300019636909	0	43	-2.0	-119.65	369.32	2.21	-117.44
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636911	1	40	-2.0	-97.15	360.17	5.63	-91.52
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636912	0	33	-2.0	-110.00	313.96	0.50	-109.50
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636912	1	33	-2.0	-110.03	313.98	0.50	-109.53
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636913	0	36	-2.0	-95.81	325.78	2.00	-93.81
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636913	1	36	-2.0	-95.80	325.80	2.00	-93.80
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636914	0	35	-2.0	-96.90	327.98	3.31	-93.59
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636914	1	35	-2.0	-96.95	328.00	3.31	-93.64
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019636915	0	30	-2.0	-90.43	288.17	0.20	-90.23
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019636915	1	30	-2.0	-90.44	288.19	0.21	-90.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C#N)=C1	REAL300019636916	0	34	-2.0	-103.69	322.47	3.79	-99.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C#N)=C1	REAL300019636916	1	34	-2.0	-103.71	322.49	3.80	-99.91
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636917	0	34	-2.0	-105.10	314.68	4.08	-101.02
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636917	1	34	-2.0	-105.06	314.70	4.08	-100.98
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(C(F)F)=C1	REAL300019636918	1	33	-2.0	-93.21	322.19	3.80	-89.41
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(C(F)F)=C1	REAL300019636918	1	33	-2.0	-93.25	322.21	3.80	-89.45
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1CC	REAL300019636920	1	46	-2.0	-96.07	397.52	5.36	-90.71
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636921	1	37	-2.0	-101.11	346.71	4.80	-96.31
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636921	1	37	-2.0	-101.16	346.73	4.80	-96.36
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636922	1	36	-2.0	-91.96	330.13	5.04	-86.92
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636923	0	30	-2.0	-87.82	302.21	-1.36	-89.18
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636923	1	30	-2.0	-87.82	302.24	-1.36	-89.18
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019636924	1	43	-2.0	-100.98	355.01	3.06	-97.92
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NS1	REAL300019636925	0	26	-2.0	-90.17	269.71	0.54	-89.63
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NS1	REAL300019636925	1	26	-2.0	-90.19	269.73	0.55	-89.64
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636928	0	36	-3.0	-154.90	339.63	3.21	-151.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636928	1	36	-3.0	-154.88	339.66	3.21	-151.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636928	1	37	-2.0	-95.59	342.36	3.16	-92.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C(N)=O)O1	REAL300019636929	0	34	-2.0	-96.54	322.48	-1.55	-98.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C(N)=O)O1	REAL300019636929	1	34	-2.0	-96.57	322.50	-1.55	-98.12
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636930	1	39	-2.0	-97.59	334.62	5.34	-92.25
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC=C1C(F)F	REAL300019636931	0	30	-2.0	-94.97	298.34	2.89	-92.08
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC=C1C(F)F	REAL300019636931	1	30	-2.0	-95.01	298.37	2.89	-92.12
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C(Cl)O1	REAL300019636933	0	29	-3.0	-150.13	311.58	2.38	-147.75
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C(Cl)O1	REAL300019636933	1	29	-3.0	-150.14	311.60	2.38	-147.76
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=CC=NC=C21	REAL300019636934	0	35	-2.0	-105.56	319.21	3.36	-102.20
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=CC=NC=C21	REAL300019636934	1	35	-2.0	-105.56	319.24	3.36	-102.20
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636935	0	37	-2.0	-99.53	344.35	3.05	-96.48
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636935	1	37	-2.0	-99.52	344.37	3.06	-96.46
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1F	REAL300019636936	0	31	-2.0	-99.59	308.80	3.26	-96.33
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1F	REAL300019636936	1	31	-2.0	-99.61	308.82	3.26	-96.35
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300019636937	0	29	-2.0	-98.81	281.77	-0.84	-99.65
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300019636937	1	29	-2.0	-98.84	281.79	-0.84	-99.68
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636938	0	33	-2.0	-88.16	337.53	2.12	-86.04
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636938	1	33	-2.0	-88.10	337.55	2.12	-85.98
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019636939	1	44	-2.0	-95.89	378.50	2.92	-92.97
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019636939	1	44	-2.0	-95.91	378.52	2.92	-92.99
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019636940	1	44	-2.0	-118.63	383.80	4.78	-113.85
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019636940	1	44	-2.0	-118.69	383.82	4.78	-113.91
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CCC2)N=C1	REAL300019636941	0	37	-2.0	-95.13	332.87	2.51	-92.62
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CCC2)N=C1	REAL300019636941	1	37	-2.0	-95.15	332.89	2.52	-92.63
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1C1CCC1	REAL300019636942	0	37	-2.0	-93.55	331.43	2.68	-90.87
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1C1CCC1	REAL300019636942	1	37	-2.0	-93.54	331.45	2.68	-90.86
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1CC1CCC1	REAL300019636943	0	40	-2.0	-94.38	354.24	3.37	-91.01
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1CC1CCC1	REAL300019636943	1	40	-2.0	-94.34	354.26	3.37	-90.97
O=S(=O)(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019636944	0	31	-2.0	-80.16	324.67	2.42	-77.74
O=S(=O)(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019636944	1	31	-2.0	-80.16	324.65	2.43	-77.73
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019636944	1	30	-3.0	-171.52	321.92	2.46	-169.06
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=NN2C1	REAL300019636945	0	41	-2.0	-102.67	358.02	0.86	-101.81
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=NN2C1	REAL300019636945	1	41	-2.0	-102.69	358.04	0.86	-101.83
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(C2=CC=CC=C2)S1	REAL300019636946	0	36	-2.0	-96.13	349.81	3.75	-92.38
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(C2=CC=CC=C2)S1	REAL300019636946	1	36	-2.0	-96.15	349.83	3.75	-92.40
O=C1COC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C2N1	REAL300019636947	1	36	-2.0	-95.27	333.69	0.08	-95.19
O=C1COC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C2N1	REAL300019636947	1	36	-2.0	-95.27	333.72	0.08	-95.19
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Br)C=CO1	REAL300019636948	0	27	-2.0	-95.46	287.07	1.44	-94.02
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Br)C=CO1	REAL300019636948	1	27	-2.0	-95.43	287.10	1.44	-93.99
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636949	0	34	-2.0	-87.47	328.85	2.39	-85.08
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636949	1	34	-2.0	-87.54	328.87	2.39	-85.15
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2CCCCN12	REAL300019636950	0	37	-2.0	-96.97	325.88	2.91	-94.06
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2CCCCN12	REAL300019636950	1	37	-2.0	-96.98	325.90	2.91	-94.07
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300019636951	0	34	-2.0	-95.11	324.17	2.28	-92.83
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300019636951	1	34	-2.0	-95.14	324.19	2.28	-92.86
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019636952	1	46	-2.0	-99.42	386.51	4.89	-94.53
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636953	0	40	-2.0	-102.63	357.40	4.23	-98.40
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636953	1	40	-2.0	-102.58	357.43	4.24	-98.34
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636954	0	33	-2.0	-93.85	306.38	3.54	-90.31
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636954	1	33	-2.0	-93.84	306.40	3.54	-90.30
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=C2O1	REAL300019636955	0	38	-2.0	-107.98	340.13	3.42	-104.56
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=C2O1	REAL300019636955	1	38	-2.0	-108.01	340.16	3.42	-104.59
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019636956	0	38	-2.0	-94.30	351.64	2.51	-91.79
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019636956	1	38	-2.0	-94.33	351.66	2.51	-91.82
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)CC1	REAL300019636957	1	38	-2.0	-99.67	351.21	5.05	-94.62
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)CC1	REAL300019636957	1	38	-2.0	-99.74	351.23	5.05	-94.69
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636958	0	34	-2.0	-99.98	322.96	3.46	-96.52
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636958	1	34	-2.0	-100.04	322.97	3.46	-96.58
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)C=CC2=C1OCCO2	REAL300019636959	0	36	-2.0	-102.93	336.66	3.46	-99.47
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)C=CC2=C1OCCO2	REAL300019636959	1	36	-2.0	-102.90	336.68	3.46	-99.44
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019636960	1	44	-2.0	-117.18	382.53	4.47	-112.71
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019636960	1	44	-2.0	-117.18	382.55	4.48	-112.70
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC=C1Cl	REAL300019636961	0	27	-2.0	-94.72	288.39	2.27	-92.45
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC=C1Cl	REAL300019636961	1	27	-2.0	-94.73	288.41	2.28	-92.45
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636962	0	30	-2.0	-86.12	304.92	0.96	-85.16
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636962	1	30	-2.0	-86.16	304.94	0.97	-85.19
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(C(F)(F)F)=C1	REAL300019636963	0	32	-2.0	-88.19	317.11	2.03	-86.16
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(C(F)(F)F)=C1	REAL300019636963	1	32	-2.0	-88.23	317.13	2.04	-86.19
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636964	0	35	-2.0	-111.14	324.71	2.43	-108.71
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636964	1	35	-2.0	-111.14	324.73	2.43	-108.71
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636965	0	32	-2.0	-87.33	299.18	0.14	-87.19
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636965	1	32	-2.0	-87.33	299.21	0.14	-87.19
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=NON=C2C=C1	REAL300019636967	0	31	-2.0	-87.13	297.85	1.62	-85.51
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=NON=C2C=C1	REAL300019636967	1	31	-2.0	-87.16	297.87	1.63	-85.53
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2S1	REAL300019636968	0	33	-2.0	-98.99	321.82	4.27	-94.72
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2S1	REAL300019636968	1	33	-2.0	-99.10	321.85	4.28	-94.82
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2NC=C(Cl)C=C12	REAL300019636969	0	33	-2.0	-110.93	327.87	2.54	-108.39
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2NC=C(Cl)C=C12	REAL300019636969	1	33	-2.0	-110.91	327.90	2.54	-108.37
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636970	0	37	-2.0	-90.93	333.90	2.60	-88.33
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636970	1	37	-2.0	-90.97	333.92	2.61	-88.36
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=C1F	REAL300019636971	1	39	-2.0	-93.99	338.18	5.19	-88.80
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1OC	REAL300019636972	0	38	-2.0	-102.20	338.75	2.76	-99.44
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1OC	REAL300019636972	1	38	-2.0	-102.22	338.77	2.78	-99.44
O=C1NCCOC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019636973	1	39	-2.0	-103.55	351.29	0.06	-103.49
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC2=CC=CC=C12	REAL300019636974	0	33	-2.0	-99.32	312.74	3.13	-96.19
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC2=CC=CC=C12	REAL300019636974	1	33	-2.0	-99.36	312.76	3.13	-96.23
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1OC	REAL300019636975	0	38	-2.0	-104.64	342.40	3.16	-101.48
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1OC	REAL300019636975	1	38	-2.0	-104.69	342.42	3.16	-101.53
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C2CCCC2)=N1	REAL300019636976	0	43	-2.0	-98.88	371.80	3.74	-95.14
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C2CCCC2)=N1	REAL300019636976	1	43	-2.0	-98.90	371.82	3.74	-95.16
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CC=C2S1	REAL300019636977	0	34	-2.0	-101.49	333.82	4.77	-96.72
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C2S1	REAL300019636977	1	34	-2.0	-101.54	333.85	4.79	-96.75
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C2CC2)=N1	REAL300019636978	0	37	-2.0	-98.32	340.10	2.73	-95.59
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C2CC2)=N1	REAL300019636978	1	37	-2.0	-98.32	340.13	2.73	-95.59
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OC(F)F)C=C1	REAL300019636979	1	34	-2.0	-97.06	322.23	2.42	-94.64
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=CC2=C1OCO2	REAL300019636980	0	33	-2.0	-104.30	312.40	2.04	-102.26
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=CC2=C1OCO2	REAL300019636980	1	33	-2.0	-104.32	312.42	2.05	-102.27
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C21	REAL300019636981	0	35	-2.0	-113.93	327.51	1.24	-112.69
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C21	REAL300019636981	1	35	-2.0	-113.96	327.54	1.25	-112.71
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=C21	REAL300019636982	0	37	-2.0	-98.85	323.91	4.76	-94.09
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=C21	REAL300019636982	1	37	-2.0	-98.85	323.93	4.76	-94.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CN=C1N	REAL300019636983	1	34	-2.0	-97.00	310.98	0.55	-96.45
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CN=C1N	REAL300019636983	1	34	-2.0	-97.00	311.00	0.55	-96.45
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636984	0	30	-2.0	-94.75	300.26	-1.29	-96.04
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636984	1	30	-2.0	-94.75	300.29	-1.29	-96.04
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)N=CN1	REAL300019636985	0	30	-2.0	-104.42	282.08	0.95	-103.47
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)N=CN1	REAL300019636985	1	30	-2.0	-104.41	282.10	0.95	-103.46
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2C=COC2=C(F)C=C1	REAL300019636987	0	33	-2.0	-95.76	316.67	3.22	-92.54
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C=COC2=C(F)C=C1	REAL300019636987	1	33	-2.0	-95.76	316.70	3.23	-92.53
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C2CCC2)=N1	REAL300019636988	0	40	-2.0	-98.33	354.49	3.25	-95.08
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C2CCC2)=N1	REAL300019636988	1	40	-2.0	-98.34	354.51	3.25	-95.09
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636989	1	48	-2.0	-101.65	397.20	6.75	-94.90
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636989	1	48	-2.0	-101.73	397.22	6.77	-94.96
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)SC=C1	REAL300019636990	0	27	-2.0	-94.39	288.81	2.38	-92.01
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)SC=C1	REAL300019636990	1	27	-2.0	-94.41	288.83	2.38	-92.03
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(CC2CCC2)N=C1	REAL300019636991	0	40	-2.0	-95.36	356.96	3.50	-91.86
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(CC2CCC2)N=C1	REAL300019636991	1	40	-2.0	-95.39	356.99	3.50	-91.89
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C2CC2)C=CS1	REAL300019636992	0	34	-2.0	-100.62	319.71	4.04	-96.58
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2CC2)C=CS1	REAL300019636992	1	34	-2.0	-100.60	319.74	4.04	-96.56
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019636993	1	43	-2.0	-106.43	372.76	1.25	-105.18
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019636993	1	43	-2.0	-106.48	372.79	1.25	-105.23
COC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C2=NC=CC=C2C=C1	REAL300019636994	0	39	-2.0	-121.38	348.41	4.05	-117.33
COC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C2=NC=CC=C2C=C1	REAL300019636994	1	39	-2.0	-121.40	348.43	4.05	-117.35
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636995	1	39	-2.0	-98.97	347.36	5.04	-93.93
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636995	1	39	-2.0	-98.94	347.39	5.05	-93.89
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019636996	0	36	-2.0	-89.43	339.25	1.18	-88.25
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019636996	1	36	-2.0	-89.41	339.27	1.18	-88.23
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636997	0	31	-2.0	-99.75	307.48	3.20	-96.55
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636997	1	31	-2.0	-99.81	307.50	3.20	-96.61
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019636998	0	37	-2.0	-94.82	328.68	2.37	-92.45
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019636998	1	37	-2.0	-94.86	328.71	2.38	-92.48
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1	REAL300019636999	0	34	-2.0	-84.69	339.41	4.19	-80.50
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1	REAL300019636999	1	34	-2.0	-84.70	339.43	4.19	-80.51
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637001	1	36	-2.0	-96.66	312.63	4.47	-92.19
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637002	0	39	-2.0	-93.50	332.42	2.55	-90.95
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637002	1	39	-2.0	-93.52	332.45	2.56	-90.96
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019637003	0	39	-2.0	-95.82	347.46	2.55	-93.27
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019637003	1	39	-2.0	-95.84	347.49	2.56	-93.28
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNN=C1C1CCC1	REAL300019637004	0	37	-2.0	-95.55	331.47	1.95	-93.60
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNN=C1C1CCC1	REAL300019637004	1	37	-2.0	-95.54	331.50	1.95	-93.59
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CN=C1C(F)(F)F	REAL300019637005	0	35	-2.0	-87.93	333.89	2.66	-85.27
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CN=C1C(F)(F)F	REAL300019637005	1	35	-2.0	-87.98	333.91	2.66	-85.32
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019637006	0	41	-2.0	-94.65	357.24	3.66	-90.99
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019637006	1	41	-2.0	-94.75	357.26	3.65	-91.10
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=CC(F)=C1F	REAL300019637007	0	32	-2.0	-82.44	322.00	3.59	-78.85
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=CC(F)=C1F	REAL300019637007	1	32	-2.0	-82.54	322.02	3.59	-78.95
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300019637008	0	33	-2.0	-88.50	328.11	3.91	-84.59
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300019637008	1	33	-2.0	-88.49	328.13	3.91	-84.58
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(CF)C=C1	REAL300019637009	1	33	-2.0	-97.28	310.95	3.66	-93.62
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(CF)C=C1	REAL300019637009	1	33	-2.0	-97.30	310.97	3.66	-93.64
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C(F)(F)F)SC=C1	REAL300019637010	0	30	-2.0	-96.00	304.53	3.22	-92.78
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C(F)(F)F)SC=C1	REAL300019637010	1	30	-2.0	-96.02	304.55	3.22	-92.80
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(C(F)(F)F)=C1	REAL300019637011	0	30	-2.0	-89.58	314.71	2.95	-86.63
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(C(F)(F)F)=C1	REAL300019637011	1	30	-2.0	-89.57	314.73	2.95	-86.62
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637012	0	33	-2.0	-91.46	305.11	1.06	-90.40
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637012	1	33	-2.0	-91.52	305.13	1.07	-90.45
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1C	REAL300019637014	1	36	-2.0	-98.74	316.17	4.17	-94.57
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1C(F)F	REAL300019637015	0	33	-2.0	-96.02	310.76	3.85	-92.17
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1C(F)F	REAL300019637015	1	33	-2.0	-96.07	310.78	3.88	-92.19
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637016	1	41	-2.0	-107.00	367.55	4.88	-102.12
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637016	1	41	-2.0	-107.02	367.57	4.88	-102.14
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019637018	1	40	-2.0	-100.79	363.21	4.54	-96.25
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019637018	1	40	-2.0	-100.92	363.24	4.54	-96.38
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC(Cl)=CC=C2OC1	REAL300019637019	1	36	-2.0	-92.96	345.43	3.88	-89.08
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637020	0	35	-2.0	-95.34	341.75	3.32	-92.02
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637020	1	35	-2.0	-95.38	341.77	3.32	-92.06
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019637021	1	39	-2.0	-97.95	361.40	4.49	-93.46
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019637021	1	39	-2.0	-97.96	361.43	4.50	-93.46
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019637022	0	31	-2.0	-96.92	315.58	3.69	-93.23
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019637022	1	31	-2.0	-96.95	315.60	3.69	-93.26
O=C1CCC(=O)N1C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019637023	0	39	-2.0	-104.28	357.11	2.81	-101.47
O=C1CCC(=O)N1C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019637023	1	39	-2.0	-104.33	357.14	2.81	-101.52
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC=C1C(F)(F)F	REAL300019637024	0	30	-2.0	-97.02	302.99	3.07	-93.95
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC=C1C(F)(F)F	REAL300019637024	1	30	-2.0	-97.04	303.01	3.08	-93.96
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C2CC2)=C1	REAL300019637025	1	37	-2.0	-98.99	332.19	4.94	-94.05
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C2CC2)=C1	REAL300019637025	1	37	-2.0	-98.97	332.22	4.95	-94.02
COC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=CS1	REAL300019637026	0	31	-2.0	-101.18	305.23	1.28	-99.90
COC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=CS1	REAL300019637026	1	31	-2.0	-101.17	305.25	1.29	-99.88
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC=C1C(F)(F)F	REAL300019637027	0	33	-2.0	-95.73	315.23	4.30	-91.43
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC=C1C(F)(F)F	REAL300019637027	1	33	-2.0	-95.75	315.26	4.30	-91.45
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637028	0	36	-2.0	-92.71	349.15	3.18	-89.53
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637028	1	36	-2.0	-92.77	349.17	3.19	-89.58
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2CC2)C=C1F	REAL300019637029	0	37	-2.0	-100.11	337.68	5.00	-95.11
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2CC2)C=C1F	REAL300019637029	1	37	-2.0	-100.14	337.71	5.01	-95.13
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1C1CCCC1	REAL300019637030	0	40	-2.0	-94.01	348.96	3.39	-90.62
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1C1CCCC1	REAL300019637030	1	40	-2.0	-93.97	348.98	3.39	-90.58
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637031	0	39	-2.0	-93.31	344.11	2.66	-90.65
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637031	1	39	-2.0	-93.39	344.13	2.69	-90.70
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019637032	1	39	-2.0	-103.60	354.18	0.36	-103.24
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637034	0	33	-2.0	-103.11	336.91	-0.66	-103.77
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637034	1	33	-2.0	-103.11	336.93	-0.66	-103.77
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C2=N1	REAL300019637035	0	35	-2.0	-106.57	326.57	1.20	-105.37
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C2=N1	REAL300019637035	1	35	-2.0	-106.61	326.59	1.21	-105.40
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019637036	0	33	-2.0	-96.74	309.05	2.44	-94.30
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019637036	1	33	-2.0	-96.80	309.07	2.45	-94.35
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(F)(F)F)O1	REAL300019637037	0	30	-2.0	-90.14	306.83	2.06	-88.08
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)O1	REAL300019637037	1	30	-2.0	-90.12	306.85	2.06	-88.06
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637038	0	34	-2.0	-94.02	323.89	2.76	-91.26
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637038	1	34	-2.0	-94.02	323.92	2.76	-91.26
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C2CCOCC2)=N1	REAL300019637039	0	44	-2.0	-97.32	381.29	1.98	-95.34
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C2CCOCC2)=N1	REAL300019637039	1	44	-2.0	-97.33	381.31	1.98	-95.35
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637040	1	36	-2.0	-97.19	336.19	4.36	-92.83
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637040	1	36	-2.0	-97.21	336.21	4.38	-92.83
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(OC(F)F)=C1	REAL300019637041	1	34	-2.0	-97.08	322.22	2.41	-94.67
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(OC(F)F)=C1	REAL300019637041	1	34	-2.0	-97.08	322.25	2.42	-94.66
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019637043	0	31	-2.0	-94.25	306.76	1.29	-92.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019637043	1	31	-2.0	-94.29	306.79	1.29	-93.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C2=NC=CC=C12	REAL300019637044	0	41	-2.0	-113.18	354.43	5.18	-108.00
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C2=NC=CC=C12	REAL300019637044	1	41	-2.0	-113.20	354.46	5.18	-108.02
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(CCF)N=C1	REAL300019637046	0	33	-2.0	-92.76	315.64	1.53	-91.23
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(CCF)N=C1	REAL300019637046	1	33	-2.0	-92.80	315.66	1.55	-91.25
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637047	1	40	-2.0	-99.89	359.90	3.52	-96.37
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637047	1	40	-2.0	-99.93	359.92	3.53	-96.40
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019637048	0	33	-2.0	-92.56	334.65	2.31	-90.25
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019637048	1	33	-2.0	-92.55	334.67	2.31	-90.24
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637049	0	40	-2.0	-93.78	364.00	3.96	-89.82
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637049	1	40	-2.0	-93.84	364.02	3.97	-89.87
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CCCCC2)N=C1	REAL300019637050	0	43	-2.0	-94.52	369.36	3.79	-90.73
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CCCCC2)N=C1	REAL300019637050	1	43	-2.0	-94.49	369.39	3.79	-90.70
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300019637051	1	41	-2.0	-94.53	371.64	5.69	-88.84
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1CF	REAL300019637052	0	33	-2.0	-100.50	303.54	3.80	-96.70
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1CF	REAL300019637052	1	33	-2.0	-100.47	303.56	3.81	-96.66
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637053	1	42	-2.0	-102.22	369.48	5.43	-96.79
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637053	1	42	-2.0	-102.25	369.50	5.43	-96.82
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C2C=CC=CN12	REAL300019637054	0	33	-2.0	-99.78	308.46	3.24	-96.54
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C2C=CC=CN12	REAL300019637054	1	33	-2.0	-99.85	308.49	3.24	-96.61
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2SC=NC2=C1	REAL300019637055	1	32	-2.0	-98.70	313.91	2.23	-96.47
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2SC=NC2=C1	REAL300019637055	1	32	-2.0	-98.68	313.93	2.24	-96.44
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019637056	0	32	-2.0	-94.82	303.68	-0.29	-95.11
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019637056	1	32	-2.0	-94.85	303.70	-0.29	-95.14
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019637057	0	33	-2.0	-93.00	324.66	1.76	-91.24
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019637057	1	33	-2.0	-93.04	324.68	1.76	-91.28
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(F)(F)F)N=C1F	REAL300019637058	0	32	-2.0	-91.21	323.98	2.11	-89.10
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)N=C1F	REAL300019637058	1	32	-2.0	-91.16	324.00	2.12	-89.04
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)O1	REAL300019637059	0	27	-2.0	-90.86	282.72	1.45	-89.41
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)O1	REAL300019637059	1	27	-2.0	-90.83	282.74	1.46	-89.37
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=CN=C(Cl)C=C21	REAL300019637060	0	35	-2.0	-105.63	336.17	3.81	-101.82
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=CN=C(Cl)C=C21	REAL300019637060	1	35	-2.0	-105.69	336.19	3.81	-101.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CC=C12	REAL300019637061	1	39	-2.0	-106.28	341.74	5.68	-100.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C12	REAL300019637061	1	39	-2.0	-106.28	341.76	5.69	-100.59
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(OCCF)C=C1	REAL300019637062	1	37	-2.0	-97.55	340.89	3.21	-94.34
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019637063	1	44	-2.0	-94.22	387.55	4.35	-89.87
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(Cl)=C1F	REAL300019637064	0	30	-2.0	-91.97	310.53	3.45	-88.52
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(Cl)=C1F	REAL300019637064	1	30	-2.0	-92.04	310.55	3.46	-88.58
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019637065	0	36	-2.0	-106.63	346.59	-0.87	-107.50
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019637065	1	36	-2.0	-106.66	346.61	-0.86	-107.52
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C2=CC=CC=C2)=N1	REAL300019637066	0	40	-2.0	-100.09	360.39	4.26	-95.83
CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C2=CC=CC=C2)=N1	REAL300019637066	1	40	-2.0	-100.12	360.42	4.26	-95.86
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2CC2)S1	REAL300019637068	0	34	-2.0	-97.30	326.79	4.16	-93.14
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2CC2)S1	REAL300019637068	1	34	-2.0	-97.29	326.81	4.16	-93.13
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300019637069	0	33	-2.0	-88.47	328.43	3.65	-84.82
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[N+](=O)[O-]	REAL300019637069	1	33	-2.0	-88.53	328.45	3.65	-84.88
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Br)C=NS1	REAL300019637071	0	26	-2.0	-87.15	286.90	1.26	-85.89
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Br)C=NS1	REAL300019637071	1	26	-2.0	-87.17	286.92	1.27	-85.90
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637072	0	30	-2.0	-96.11	287.55	1.51	-94.60
CC1=COC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637072	1	30	-2.0	-96.12	287.58	1.52	-94.60
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019637073	1	40	-2.0	-97.28	369.63	4.74	-92.54
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019637073	1	40	-2.0	-97.28	369.66	4.74	-92.54
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL300019637074	0	36	-2.0	-95.00	343.17	0.66	-94.34
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL300019637074	1	36	-2.0	-95.04	343.19	0.66	-94.38
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1OC	REAL300019637075	0	35	-2.0	-99.19	335.92	0.85	-98.34
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1OC	REAL300019637075	1	35	-2.0	-99.19	335.95	0.85	-98.34
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C([O-])C=C1Cl	REAL300019637076	0	30	-3.0	-149.27	319.55	1.88	-147.39
O=S(=O)(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=C([O-])C=C1Cl	REAL300019637076	1	31	-2.0	-84.63	322.25	1.85	-82.78
O=S(=O)(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C([O-])C=C1Cl	REAL300019637076	1	31	-2.0	-84.55	322.22	1.85	-82.70
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(F)C(Cl)=C1	REAL300019637077	0	29	-2.0	-83.73	300.60	1.47	-82.26
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(F)C(Cl)=C1	REAL300019637077	1	29	-2.0	-83.79	300.62	1.48	-82.31
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C(OC(F)F)=C1	REAL300019637078	1	34	-2.0	-96.24	328.46	2.49	-93.75
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(OC(F)F)=C1	REAL300019637078	1	34	-2.0	-96.25	328.48	2.49	-93.76
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637079	0	36	-2.0	-94.86	326.37	2.85	-92.01
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637079	1	36	-2.0	-94.89	326.40	2.85	-92.04
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300019637080	1	37	-2.0	-103.72	336.67	4.60	-99.12
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300019637080	1	37	-2.0	-103.75	336.70	4.60	-99.15
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1C(F)(F)F	REAL300019637081	0	33	-2.0	-98.88	313.67	4.25	-94.63
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(F)=C1C(F)(F)F	REAL300019637081	1	33	-2.0	-98.92	313.70	4.25	-94.67
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(Cl)S1	REAL300019637082	0	27	-2.0	-86.55	308.05	2.94	-83.61
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(Cl)S1	REAL300019637082	1	27	-2.0	-86.65	308.07	2.94	-83.71
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1Cl	REAL300019637083	0	30	-2.0	-92.70	302.85	0.90	-91.80
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1Cl	REAL300019637083	1	30	-2.0	-92.68	302.87	0.90	-91.78
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637084	0	43	-2.0	-97.80	375.12	5.23	-92.57
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637084	1	43	-2.0	-97.82	375.14	5.23	-92.59
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1)C(F)F	REAL300019637085	0	35	-2.0	-95.05	335.64	3.52	-91.53
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1)C(F)F	REAL300019637085	1	35	-2.0	-95.09	335.67	3.52	-91.57
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300019637086	1	41	-2.0	-99.57	371.65	5.68	-93.89
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300019637086	1	41	-2.0	-99.58	371.68	5.68	-93.90
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637087	0	36	-2.0	-109.14	320.79	4.66	-104.48
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637087	1	36	-2.0	-109.19	320.82	4.68	-104.51
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)OC=C1	REAL300019637088	0	28	-2.0	-97.50	284.81	1.32	-96.18
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)OC=C1	REAL300019637088	1	28	-2.0	-97.52	284.83	1.32	-96.20
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C1(F)F	REAL300019637089	1	35	-2.0	-94.73	337.83	1.41	-93.32
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C1(F)F	REAL300019637089	1	35	-2.0	-94.76	337.85	1.41	-93.35
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C2=NSN=C21	REAL300019637090	0	31	-2.0	-98.11	324.47	1.63	-96.48
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C2=NSN=C21	REAL300019637090	1	31	-2.0	-98.15	324.49	1.63	-96.52
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019637091	0	39	-2.0	-101.11	366.16	1.82	-99.29
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019637091	1	39	-2.0	-101.14	366.19	1.82	-99.32
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637092	0	32	-2.0	-89.11	310.72	2.23	-86.88
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637092	1	32	-2.0	-89.15	310.74	2.23	-86.92
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637093	1	41	-2.0	-100.47	366.61	4.47	-96.00
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637093	1	41	-2.0	-100.49	366.63	4.47	-96.02
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C2CC2)=N1	REAL300019637094	0	40	-2.0	-98.24	359.80	3.63	-94.61
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C2CC2)=N1	REAL300019637094	1	40	-2.0	-98.25	359.83	3.64	-94.61
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C2=NSN=C2C=C1	REAL300019637095	0	34	-2.0	-104.77	320.99	2.20	-102.57
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C2=NSN=C2C=C1	REAL300019637095	1	34	-2.0	-104.82	321.01	2.20	-102.62
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300019637096	1	36	-2.0	-95.44	345.61	5.62	-89.82
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300019637096	1	36	-2.0	-95.45	345.63	5.63	-89.82
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)NC(=O)N1	REAL300019637097	0	33	-2.0	-99.56	306.05	-1.45	-101.01
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C(Cl)S1	REAL300019637099	0	33	-2.0	-100.99	339.28	3.77	-97.22
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C(Cl)S1	REAL300019637099	1	33	-2.0	-101.03	339.31	3.77	-97.26
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637100	0	43	-2.0	-94.87	370.87	3.98	-90.89
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637100	1	43	-2.0	-94.83	370.89	3.99	-90.84
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Cl)OC=C1	REAL300019637101	0	27	-2.0	-93.79	281.74	1.34	-92.45
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Cl)OC=C1	REAL300019637101	1	27	-2.0	-93.84	281.76	1.35	-92.49
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CS1	REAL300019637102	0	27	-2.0	-91.17	291.78	2.36	-88.81
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CS1	REAL300019637102	1	27	-2.0	-91.21	291.81	2.36	-88.85
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637103	0	44	-2.0	-105.21	387.79	3.13	-102.08
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637103	1	44	-2.0	-105.29	387.82	3.14	-102.15
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2C=C1Cl	REAL300019637104	0	36	-2.0	-100.82	341.82	5.67	-95.15
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2C=C1Cl	REAL300019637104	1	36	-2.0	-100.87	341.85	5.68	-95.19
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637105	0	38	-2.0	-92.03	335.28	0.58	-91.45
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637105	1	38	-2.0	-92.00	335.30	0.58	-91.42
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1C1CC1	REAL300019637106	1	37	-2.0	-101.41	326.52	5.00	-96.41
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1C1CC1	REAL300019637106	1	37	-2.0	-101.47	326.55	5.01	-96.46
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C)=N1	REAL300019637110	0	36	-2.0	-91.28	325.81	0.28	-91.00
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=N1	REAL300019637110	1	36	-2.0	-91.29	325.83	0.28	-91.01
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637111	0	36	-2.0	-101.29	330.36	0.68	-100.61
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637111	1	36	-2.0	-101.30	330.38	0.68	-100.62
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637112	0	33	-2.0	-95.48	325.67	0.53	-94.95
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637112	1	33	-2.0	-95.52	325.69	0.53	-94.99
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019637113	0	36	-2.0	-92.08	330.28	0.25	-91.83
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL300019637113	1	36	-2.0	-92.13	330.30	0.25	-91.88
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019637114	0	39	-2.0	-95.10	350.39	2.93	-92.17
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019637114	1	39	-2.0	-95.16	350.41	2.94	-92.22
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637115	0	39	-2.0	-96.03	348.39	2.52	-93.51
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637115	1	39	-2.0	-96.06	348.41	2.52	-93.54
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(C(F)(F)F)=N1	REAL300019637116	0	29	-2.0	-93.82	310.30	0.83	-92.99
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(C(F)(F)F)=N1	REAL300019637116	1	29	-2.0	-93.80	310.33	0.83	-92.97
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=CO1	REAL300019637117	0	28	-2.0	-96.79	285.93	1.25	-95.54
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=CO1	REAL300019637117	1	28	-2.0	-96.85	285.95	1.25	-95.60
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)SC=C1	REAL300019637118	0	28	-2.0	-100.19	295.02	2.18	-98.01
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)SC=C1	REAL300019637118	1	28	-2.0	-100.20	295.04	2.18	-98.02
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637120	0	36	-2.0	-92.83	325.88	2.03	-90.80
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637120	1	36	-2.0	-92.81	325.91	2.03	-90.78
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300019637121	0	38	-2.0	-89.81	349.75	2.21	-87.60
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL300019637121	1	38	-2.0	-89.85	349.77	2.21	-87.64
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)CC1	REAL300019637122	0	40	-2.0	-91.96	364.13	5.16	-86.80
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)CC1	REAL300019637122	1	40	-2.0	-92.03	364.10	5.17	-86.86
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)CC1	REAL300019637122	1	39	-3.0	-157.48	357.56	5.29	-152.19
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)CC1	REAL300019637122	1	39	-3.0	-157.47	357.58	5.29	-152.18
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637123	0	33	-2.0	-103.39	322.24	4.62	-98.77
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637123	1	33	-2.0	-103.42	322.27	4.62	-98.80
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1CC1CC1	REAL300019637124	0	37	-2.0	-90.87	335.17	2.96	-87.91
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1CC1CC1	REAL300019637124	1	37	-2.0	-90.88	335.20	2.98	-87.90
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NN1C1=CC=CC=C1	REAL300019637125	0	37	-2.0	-100.03	339.21	3.85	-96.18
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NN1C1=CC=CC=C1	REAL300019637125	1	37	-2.0	-100.08	339.23	3.85	-96.23
COC1=NOC(CS(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637126	0	33	-2.0	-93.73	314.03	-0.81	-94.54
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=NN1C(C)C	REAL300019637127	0	39	-2.0	-96.74	347.47	2.58	-94.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C(C)C	REAL300019637127	1	39	-2.0	-96.82	347.49	2.58	-94.24
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C2CC2(F)F)=C1	REAL300019637128	1	37	-2.0	-103.70	342.84	5.04	-98.66
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C2CC2(F)F)=C1	REAL300019637128	1	37	-2.0	-103.68	342.86	5.05	-98.63
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CC(C(F)F)=C1	REAL300019637129	0	32	-2.0	-97.31	312.21	1.95	-95.36
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CC(C(F)F)=C1	REAL300019637129	1	32	-2.0	-97.32	312.23	1.95	-95.37
O=S(=O)(F)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637130	0	30	-2.0	-95.36	322.37	-1.03	-96.39
O=S(=O)(F)C1=CSC(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637130	1	30	-2.0	-95.33	322.40	-1.03	-96.36
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019637132	1	37	-2.0	-98.47	344.50	5.07	-93.40
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300019637132	1	37	-2.0	-98.54	344.52	5.08	-93.46
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC2=CC(Cl)=CC=C12	REAL300019637133	0	34	-2.0	-98.92	333.42	3.31	-95.61
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC2=CC(Cl)=CC=C12	REAL300019637133	1	34	-2.0	-98.92	333.44	3.31	-95.61
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C1	REAL300019637134	0	40	-2.0	-93.16	363.59	5.16	-88.00
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C1	REAL300019637134	1	40	-2.0	-93.20	363.58	5.17	-88.03
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C1	REAL300019637134	1	39	-3.0	-160.79	356.88	5.29	-155.50
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C1	REAL300019637134	1	39	-3.0	-160.82	356.90	5.30	-155.52
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(O)=C1	REAL300019637135	1	31	-2.0	-98.04	293.99	-0.02	-98.06
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637136	1	39	-2.0	-101.52	347.62	4.52	-97.00
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637136	1	39	-2.0	-101.61	347.63	4.52	-97.09
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C(F)F)=CC=C1F	REAL300019637137	0	33	-2.0	-100.26	320.64	3.77	-96.49
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C(F)F)=CC=C1F	REAL300019637137	1	33	-2.0	-100.23	320.66	3.78	-96.45
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSN=C1	REAL300019637138	0	26	-2.0	-88.37	268.63	0.44	-87.93
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSN=C1	REAL300019637138	1	26	-2.0	-88.42	268.65	0.44	-87.98
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2CC2(F)F)C=C1	REAL300019637139	0	34	-2.0	-107.23	330.84	2.11	-105.12
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2CC2(F)F)C=C1	REAL300019637139	1	34	-2.0	-107.19	330.87	2.12	-105.07
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1C1CC1(F)F	REAL300019637140	1	37	-2.0	-103.99	338.44	5.13	-98.86
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1C1CC1(F)F	REAL300019637140	1	37	-2.0	-104.01	338.47	5.14	-98.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=C1Cl	REAL300019637141	0	33	-2.0	-96.52	330.02	4.45	-92.07
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=C1Cl	REAL300019637141	1	33	-2.0	-96.52	330.05	4.45	-92.07
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019637142	0	37	-2.0	-96.72	350.91	3.90	-92.82
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300019637142	1	37	-2.0	-96.68	350.93	3.90	-92.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C(C(F)F)=C1	REAL300019637143	0	37	-2.0	-103.17	333.41	3.43	-99.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C(C(F)F)=C1	REAL300019637143	1	37	-2.0	-103.31	333.43	3.43	-99.88
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C1	REAL300019637144	1	43	-2.0	-101.11	382.34	5.36	-95.75
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C1	REAL300019637144	1	43	-2.0	-101.08	382.37	5.36	-95.72
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637145	0	35	-2.0	-104.64	323.75	2.43	-102.21
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637145	1	35	-2.0	-104.68	323.77	2.43	-102.25
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019637146	0	36	-2.0	-113.06	335.65	4.34	-108.72
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019637146	1	36	-2.0	-113.09	335.67	4.34	-108.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C2=NC=CC=C12	REAL300019637147	0	38	-2.0	-113.48	340.71	4.01	-109.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C2=NC=CC=C12	REAL300019637147	1	38	-2.0	-113.51	340.73	4.01	-109.50
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C(=O)[O-])O1	REAL300019637148	0	35	-3.0	-156.78	333.56	3.40	-153.38
CCC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C(=O)[O-])O1	REAL300019637148	1	35	-3.0	-156.80	333.58	3.40	-153.40
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637149	0	43	-2.0	-106.89	372.41	4.84	-102.05
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637149	1	43	-2.0	-106.91	372.43	4.84	-102.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)C=C(Cl)S1	REAL300019637150	0	30	-2.0	-91.28	308.24	3.22	-88.06
CC1=C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)C=C(Cl)S1	REAL300019637150	1	30	-2.0	-91.26	308.27	3.25	-88.01
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=CS1	REAL300019637151	0	26	-2.0	-92.57	269.55	-0.05	-92.62
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=CS1	REAL300019637151	1	26	-2.0	-92.61	269.57	-0.04	-92.65
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2CCCCN2N=C1	REAL300019637152	0	37	-2.0	-97.67	328.69	2.16	-95.51
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2CCCCN2N=C1	REAL300019637152	1	37	-2.0	-97.66	328.71	2.16	-95.50
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019637153	0	33	-2.0	-102.07	309.88	3.56	-98.51
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019637153	1	33	-2.0	-102.09	309.90	3.57	-98.52
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637154	1	40	-2.0	-104.09	359.70	2.43	-101.66
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637155	1	37	-2.0	-98.89	344.27	1.65	-97.24
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C=C1	REAL300019637158	0	31	-2.0	-107.60	297.98	1.27	-106.33
O=C1[N-]N=NN1C1=CC=C(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C=C1	REAL300019637159	0	34	-2.0	-94.44	329.47	0.59	-93.85
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)C=C1	REAL300019637160	0	30	-2.0	-90.89	301.34	-0.37	-91.26
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637161	1	32	-2.0	-92.88	310.31	1.39	-91.49
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637162	1	32	-2.0	-93.13	310.29	1.39	-91.74
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)C=C1	REAL300019637163	0	31	-2.0	-96.59	311.71	1.57	-95.02
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637164	0	32	-2.0	-107.27	307.58	1.27	-106.00
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Br)C=C1	REAL300019637165	0	31	-2.0	-100.78	305.97	1.69	-99.09
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1F	REAL300019637166	0	34	-2.0	-111.76	328.99	1.47	-110.29
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1	REAL300019637168	1	40	-2.0	-94.12	352.30	0.94	-93.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1[N+](=O)[O-]	REAL300019637169	1	36	-2.0	-98.32	333.69	2.18	-96.14
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637170	0	34	-2.0	-95.00	305.73	-1.18	-96.18
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300019637172	1	34	-2.0	-92.47	328.21	2.00	-90.47
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637174	0	34	-2.0	-96.26	324.45	1.45	-94.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637174	1	33	-3.0	-152.18	317.92	1.56	-150.62
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637175	0	39	-2.0	-108.70	347.22	0.06	-108.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1OC	REAL300019637176	1	39	-2.0	-94.32	348.21	0.20	-94.12
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637178	0	33	-2.0	-90.32	302.56	-0.06	-90.38
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C=C1	REAL300019637179	1	31	-2.0	-87.34	321.39	1.98	-85.36
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637180	0	34	-2.0	-92.88	324.41	1.43	-91.45
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637180	1	33	-3.0	-166.79	317.95	1.54	-165.25
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300019637181	1	31	-2.0	-86.60	302.18	1.12	-85.48
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C=C1	REAL300019637182	0	31	-2.0	-96.90	319.34	2.08	-94.82
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300019637183	1	34	-2.0	-92.15	328.21	2.00	-90.15
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637184	1	34	-2.0	-96.55	310.89	1.66	-94.89
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C=C1	REAL300019637186	0	34	-2.0	-103.06	315.36	2.37	-100.69
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)C=C1	REAL300019637187	1	31	-2.0	-92.52	306.21	1.52	-91.00
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637188	1	36	-2.0	-98.91	329.94	1.39	-97.52
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1	REAL300019637191	1	31	-2.0	-86.80	312.07	1.57	-85.23
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637192	1	36	-2.0	-104.99	329.97	1.38	-103.61
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637194	0	37	-2.0	-112.64	334.72	2.38	-110.26
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637195	0	40	-2.0	-94.86	366.11	2.59	-92.27
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C=C1	REAL300019637196	0	31	-2.0	-98.28	317.81	2.01	-96.27
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1[N+](=O)[O-]	REAL300019637197	1	37	-2.0	-97.74	344.99	1.74	-96.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637201	0	37	-3.0	-173.49	346.09	1.35	-172.14
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637201	1	38	-2.0	-110.13	348.83	1.31	-108.82
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637202	0	38	-2.0	-97.75	355.92	2.73	-95.02
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637202	1	37	-3.0	-152.35	349.39	2.85	-149.50
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1	REAL300019637203	0	31	-2.0	-101.16	313.09	2.31	-98.85
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1	REAL300019637204	0	28	-2.0	-92.60	298.45	0.62	-91.98
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637206	0	35	-2.0	-107.19	317.73	0.78	-106.41
CC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300019637207	0	37	-2.0	-110.16	344.25	2.07	-108.09
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C=C1	REAL300019637208	0	31	-2.0	-94.21	307.58	1.18	-93.03
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1	REAL300019637209	1	31	-2.0	-91.88	322.94	2.02	-89.86
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2Cl)C=C1	REAL300019637210	0	31	-2.0	-101.39	302.62	1.55	-99.84
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Br)=C2)C=C1	REAL300019637211	1	31	-2.0	-92.48	310.77	1.62	-90.86
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300019637212	0	33	-2.0	-97.51	317.71	1.66	-95.85
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637213	0	36	-2.0	-98.06	333.19	2.43	-95.63
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)C=C1	REAL300019637214	0	33	-2.0	-91.65	330.15	2.04	-89.61
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300019637215	0	28	-2.0	-98.22	281.41	0.00	-98.22
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300019637217	0	33	-2.0	-110.91	310.59	2.41	-108.50
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637218	0	33	-3.0	-163.28	331.02	2.13	-161.15
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637218	1	34	-2.0	-103.09	333.67	2.09	-101.00
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1Cl	REAL300019637219	0	34	-2.0	-107.85	336.98	1.83	-106.02
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1Cl	REAL300019637219	1	33	-3.0	-162.37	330.45	1.95	-160.42
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2F)C=C1	REAL300019637222	0	31	-2.0	-95.94	301.39	1.12	-94.82
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2)C=C1	REAL300019637223	1	31	-2.0	-92.72	295.89	1.06	-91.66
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)C=C1	REAL300019637224	0	31	-2.0	-91.19	302.30	1.12	-90.07
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1	REAL300019637226	1	37	-2.0	-100.38	333.98	0.14	-100.24
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637228	1	46	-2.0	-102.58	381.18	4.08	-98.50
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)C=C1	REAL300019637229	1	31	-2.0	-93.95	306.21	1.52	-92.43
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)C=C2)C=C1	REAL300019637230	1	31	-2.0	-93.87	310.77	1.62	-92.25
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300019637231	0	33	-2.0	-88.98	317.70	1.67	-87.31
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300019637232	1	31	-2.0	-100.58	289.48	0.99	-99.59
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637233	1	38	-2.0	-105.86	345.54	-0.11	-105.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637234	0	31	-2.0	-99.41	303.31	0.80	-98.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300019637235	0	40	-2.0	-114.68	353.07	2.89	-111.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300019637235	1	39	-3.0	-170.74	350.61	2.90	-167.84
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637236	0	35	-2.0	-100.19	334.47	1.30	-98.89
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1	REAL300019637237	0	33	-2.0	-101.46	327.32	2.92	-98.54
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637238	0	33	-3.0	-164.52	323.42	1.62	-162.90
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C=C1	REAL300019637239	0	28	-2.0	-91.83	312.33	1.15	-90.68
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637241	1	36	-2.0	-94.98	330.10	2.39	-92.59
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C=C1	REAL300019637242	0	31	-2.0	-99.51	301.39	1.13	-98.38
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637243	0	40	-2.0	-92.47	368.04	3.03	-89.44
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637243	1	39	-3.0	-152.07	361.51	3.15	-148.92
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637244	1	41	-2.0	-105.64	366.13	0.70	-104.94
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2N1	REAL300019637245	1	35	-2.0	-96.12	325.24	-2.19	-98.31
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637246	1	35	-2.0	-97.98	329.67	2.02	-95.96
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C2N1	REAL300019637247	1	36	-2.0	-97.07	331.59	-0.55	-97.62
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C=C1	REAL300019637248	1	39	-2.0	-98.12	349.31	0.17	-97.95
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637250	0	30	-3.0	-159.81	311.13	0.57	-159.24
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2O1	REAL300019637251	1	34	-2.0	-91.60	321.22	-1.50	-93.10
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637253	0	37	-2.0	-114.75	332.85	1.91	-112.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637253	1	36	-3.0	-168.69	333.38	2.34	-166.35
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637254	0	37	-2.0	-98.32	327.10	0.07	-98.25
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300019637255	0	39	-2.0	-97.87	350.47	3.01	-94.86
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637256	0	37	-2.0	-95.24	344.25	1.66	-93.58
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637257	1	38	-2.0	-99.46	345.91	-0.72	-100.18
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637258	0	36	-2.0	-100.00	343.66	-4.04	-104.04
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637259	0	40	-2.0	-108.51	361.61	2.66	-105.85
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637260	1	35	-2.0	-99.52	323.98	-2.22	-101.74
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1	REAL300019637262	1	37	-2.0	-102.82	335.43	3.27	-99.55
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=CS1	REAL300019637263	0	34	-2.0	-109.18	329.06	1.30	-107.88
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637266	0	38	-2.0	-94.19	355.54	1.72	-92.47
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2F)C=C1	REAL300019637269	0	31	-2.0	-104.36	294.98	1.05	-103.31
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)C=C1	REAL300019637270	1	36	-2.0	-96.37	331.86	1.50	-94.87
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637271	0	37	-2.0	-112.67	342.33	-0.42	-113.09
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2N=C1	REAL300019637272	0	39	-2.0	-115.59	350.82	2.27	-113.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=C1	REAL300019637274	0	34	-2.0	-101.07	324.02	2.23	-98.84
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637276	1	36	-2.0	-99.90	343.66	-4.04	-103.94
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300019637277	1	39	-2.0	-97.23	352.79	1.45	-95.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C([N+](=O)[O-])=C1	REAL300019637278	0	37	-2.0	-106.29	340.07	1.70	-104.59
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300019637280	1	37	-2.0	-92.89	343.60	0.95	-91.94
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637281	0	37	-2.0	-103.99	350.18	-1.48	-105.47
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1	REAL300019637283	1	41	-2.0	-103.02	359.37	4.87	-98.15
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)C=C1	REAL300019637284	0	31	-2.0	-93.52	309.01	1.62	-91.90
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300019637285	0	38	-2.0	-109.59	351.05	-0.06	-109.65
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637286	1	37	-2.0	-103.26	350.18	-1.48	-104.74
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1OC	REAL300019637288	0	39	-2.0	-100.32	353.69	0.26	-100.06
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300019637290	0	34	-3.0	-164.33	324.60	0.90	-163.43
CN1C=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300019637290	1	35	-2.0	-93.85	331.02	0.77	-93.08
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Cl	REAL300019637291	0	31	-2.0	-106.42	306.95	0.56	-105.86
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(N)=O	REAL300019637292	0	36	-2.0	-98.25	331.43	-2.84	-101.09
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637293	0	38	-2.0	-114.29	344.00	0.37	-113.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019637296	1	35	-2.0	-92.18	325.19	0.37	-91.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(N)=O	REAL300019637299	1	38	-2.0	-91.02	340.06	-1.55	-92.57
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637301	0	31	-2.0	-92.97	294.03	-1.30	-94.27
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637302	0	36	-2.0	-89.07	333.19	2.44	-86.63
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1C	REAL300019637304	0	39	-2.0	-98.62	353.36	-1.35	-99.97
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637305	1	34	-2.0	-97.54	321.70	2.28	-95.26
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=N2)C=C1	REAL300019637307	0	41	-2.0	-93.75	371.45	2.78	-90.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637310	0	33	-3.0	-155.29	327.07	1.23	-154.06
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300019637311	1	32	-2.0	-86.14	325.69	1.80	-84.34
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1Cl	REAL300019637312	1	32	-2.0	-90.82	325.71	1.80	-89.02
CC1=CC(C)=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300019637313	0	40	-2.0	-114.31	348.63	2.43	-111.88
O=C1OCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300019637314	1	35	-2.0	-104.88	327.85	1.37	-103.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CN=C12	REAL300019637315	1	40	-2.0	-102.21	354.79	0.79	-101.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300019637316	1	34	-2.0	-93.11	324.94	2.11	-91.00
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C=C1	REAL300019637317	0	31	-2.0	-100.91	311.14	1.55	-99.36
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637319	0	37	-2.0	-94.56	345.95	1.45	-93.11
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CC=C12	REAL300019637320	1	41	-2.0	-105.37	358.85	2.66	-102.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019637321	1	34	-2.0	-93.00	316.20	1.71	-91.29
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637322	1	34	-2.0	-94.23	321.69	2.28	-91.95
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637323	0	34	-2.0	-104.56	316.40	1.72	-102.84
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637324	1	34	-2.0	-97.77	311.37	1.83	-95.94
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637326	0	36	-2.0	-111.90	322.93	3.29	-108.61
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637327	1	41	-2.0	-105.83	362.03	0.82	-105.01
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637328	0	39	-2.0	-115.95	350.75	2.28	-113.67
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300019637329	0	30	-3.0	-161.69	309.59	0.59	-161.10
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300019637329	1	31	-2.0	-91.86	316.18	0.47	-91.39
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C=C1	REAL300019637330	0	33	-2.0	-88.78	330.84	2.22	-86.56
COC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300019637331	0	38	-2.0	-115.06	351.69	1.50	-113.56
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CN=C2C=C1	REAL300019637332	1	39	-2.0	-100.79	339.56	2.37	-98.42
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])C=C1	REAL300019637334	0	33	-2.0	-105.15	314.42	2.45	-102.70
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300019637335	1	41	-2.0	-100.39	363.67	4.41	-95.98
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1	REAL300019637336	0	33	-2.0	-107.04	322.82	2.36	-104.68
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637337	0	40	-2.0	-108.91	369.51	-0.49	-109.40
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637340	0	35	-2.0	-103.63	320.67	-0.64	-104.27
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CNN=C2)C=C1	REAL300019637341	0	28	-2.0	-94.44	271.06	-2.61	-97.05
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637342	0	40	-2.0	-114.10	350.31	2.76	-111.34
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637342	1	39	-3.0	-167.76	348.08	3.28	-164.48
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C=C1	REAL300019637343	0	34	-2.0	-102.89	329.00	1.89	-101.00
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637344	0	34	-2.0	-93.24	337.37	0.76	-92.48
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C	REAL300019637345	0	39	-2.0	-110.95	346.44	3.59	-107.36
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637346	0	35	-2.0	-92.75	327.30	1.36	-91.39
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1	REAL300019637347	0	31	-2.0	-97.49	304.39	1.33	-96.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(=O)[O-])O1	REAL300019637348	0	33	-3.0	-159.23	320.98	0.69	-158.54
CC1=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(=O)[O-])O1	REAL300019637348	1	34	-2.0	-107.01	323.86	0.65	-106.36
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)C=C1	REAL300019637349	0	34	-2.0	-120.27	317.68	0.20	-120.07
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637350	0	37	-2.0	-105.07	349.75	1.71	-103.36
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637351	0	41	-2.0	-108.84	361.00	2.37	-106.47
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C1	REAL300019637352	0	33	-2.0	-111.56	319.55	3.08	-108.48
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C=C1	REAL300019637353	1	36	-2.0	-110.30	337.78	1.17	-109.13
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Br)=C2)C=C1	REAL300019637354	0	30	-2.0	-91.31	305.81	-0.21	-91.52
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1	REAL300019637355	0	33	-2.0	-115.38	312.18	2.52	-112.86
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637356	0	37	-3.0	-168.29	346.92	0.64	-167.65
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637356	1	38	-2.0	-94.03	349.60	0.63	-93.40
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300019637357	0	38	-2.0	-94.10	350.05	2.11	-91.99
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C=C1	REAL300019637358	0	41	-2.0	-93.76	375.46	2.55	-91.21
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=CC(F)=C2)C=C1	REAL300019637359	0	30	-2.0	-91.15	290.90	-0.75	-91.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(F)(F)F	REAL300019637360	1	37	-2.0	-97.01	343.91	2.51	-94.50
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637361	0	34	-2.0	-98.66	337.54	0.65	-98.01
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637362	0	39	-2.0	-97.17	347.93	3.38	-93.79
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)C=C1	REAL300019637363	1	36	-2.0	-101.46	325.63	1.42	-100.04
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C=C1	REAL300019637364	0	30	-2.0	-91.91	314.62	0.11	-91.80
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637365	0	31	-2.0	-107.49	293.50	0.09	-107.40
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C12	REAL300019637367	0	39	-2.0	-94.38	355.80	0.71	-93.67
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C12	REAL300019637368	0	35	-2.0	-86.95	329.23	-2.02	-88.97
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637369	0	31	-2.0	-89.65	305.43	-0.48	-90.13
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C=C1	REAL300019637371	0	31	-2.0	-101.67	301.26	1.11	-100.56
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300019637372	0	35	-2.0	-102.66	327.46	0.57	-102.09
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1	REAL300019637373	0	33	-2.0	-105.10	324.76	2.89	-102.21
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637374	0	37	-2.0	-107.72	338.26	1.95	-105.77
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637374	1	36	-3.0	-158.23	338.65	2.37	-155.86
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)C=C1	REAL300019637375	0	37	-2.0	-105.78	332.63	0.63	-105.15
CC1=NC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1C	REAL300019637376	0	34	-2.0	-108.90	313.01	-0.12	-109.02
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)C=C1	REAL300019637377	0	35	-2.0	-102.63	327.50	1.04	-101.59
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637378	1	40	-2.0	-98.50	366.13	2.58	-95.92
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637379	0	34	-2.0	-93.12	315.56	-0.45	-93.57
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637380	1	38	-2.0	-102.33	344.55	0.71	-101.62
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637381	0	37	-2.0	-107.65	341.11	2.46	-105.19
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C=C1	REAL300019637382	0	31	-2.0	-98.74	321.58	1.10	-97.64
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3COCC3=C2)C=C1	REAL300019637383	1	36	-2.0	-98.57	325.45	0.29	-98.28
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)C=C1	REAL300019637384	0	31	-2.0	-96.99	309.01	1.63	-95.36
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)=CO1	REAL300019637385	1	40	-2.0	-102.64	365.87	0.07	-102.57
O=C1NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C12	REAL300019637388	0	35	-2.0	-93.84	333.80	-2.15	-95.99
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637389	0	31	-2.0	-95.18	289.90	-1.95	-97.13
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637390	1	35	-2.0	-97.57	318.98	0.30	-97.27
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637392	0	37	-2.0	-104.05	352.08	-0.85	-104.90
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637392	1	36	-3.0	-159.33	347.80	-1.90	-161.23
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300019637393	0	31	-2.0	-105.32	294.33	-1.47	-106.79
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637394	0	31	-2.0	-91.93	289.72	-1.37	-93.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300019637399	0	34	-2.0	-103.85	316.39	1.74	-102.11
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CNC=N2)C=C1	REAL300019637401	0	28	-2.0	-105.50	270.78	-1.61	-107.11
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019637402	0	34	-2.0	-93.66	329.03	-0.21	-93.87
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)C=C1	REAL300019637403	0	36	-2.0	-115.74	329.41	1.63	-114.11
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C=C1	REAL300019637404	0	31	-2.0	-91.60	307.68	1.17	-90.43
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(=O)[O-])S1	REAL300019637405	0	33	-3.0	-164.08	326.56	1.45	-162.63
CC1=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(=O)[O-])S1	REAL300019637405	1	34	-2.0	-110.49	329.31	1.41	-109.08
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300019637406	1	40	-2.0	-101.52	354.35	2.29	-99.23
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637407	0	35	-2.0	-102.14	332.09	0.86	-101.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CN=C1Cl	REAL300019637408	0	33	-2.0	-87.59	320.13	0.22	-87.37
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637409	0	37	-2.0	-107.95	347.65	-1.42	-109.37
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637411	1	40	-2.0	-105.71	366.43	2.44	-103.27
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637413	0	43	-2.0	-98.97	368.66	1.60	-97.37
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)SC=C1	REAL300019637414	0	31	-2.0	-99.70	297.77	0.77	-98.93
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300019637415	0	40	-2.0	-98.54	347.99	0.90	-97.64
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C	REAL300019637416	0	40	-2.0	-95.44	360.28	2.19	-93.25
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1[N+](=O)[O-]	REAL300019637417	0	36	-2.0	-89.48	333.69	2.17	-87.31
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C=C1	REAL300019637420	1	39	-2.0	-111.90	349.06	-0.56	-112.46
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637421	1	35	-2.0	-97.73	325.75	2.15	-95.58
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1F	REAL300019637422	1	38	-2.0	-101.90	350.68	-0.00	-101.90
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1[N+](=O)[O-]	REAL300019637423	0	36	-2.0	-99.10	339.16	2.25	-96.85
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637424	1	43	-2.0	-99.18	341.64	3.68	-95.50
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C	REAL300019637425	1	41	-2.0	-112.80	363.35	0.74	-112.06
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637426	0	35	-2.0	-101.66	327.14	1.46	-100.20
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637427	1	35	-2.0	-93.26	325.73	2.15	-91.11
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300019637430	0	32	-2.0	-95.64	315.78	1.45	-94.19
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2O1	REAL300019637431	1	36	-2.0	-93.53	333.13	-1.34	-94.87
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637432	0	37	-2.0	-93.07	334.25	0.08	-92.99
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637433	0	36	-2.0	-101.04	327.28	-2.54	-103.58
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C=C1	REAL300019637434	1	36	-2.0	-100.46	330.44	1.38	-99.08
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637435	0	37	-2.0	-98.56	348.83	-0.24	-98.80
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1	REAL300019637436	0	37	-2.0	-105.82	333.29	-0.56	-106.38
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C([N+](=O)[O-])=C1	REAL300019637437	0	34	-2.0	-100.94	331.35	2.80	-98.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1C1=CC=CC=N1	REAL300019637440	0	40	-2.0	-102.28	361.68	2.37	-99.91
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300019637442	0	31	-2.0	-85.70	308.47	1.17	-84.53
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637443	1	42	-2.0	-97.51	372.10	2.84	-94.67
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1C	REAL300019637445	0	38	-2.0	-102.63	350.65	1.10	-101.53
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=C1	REAL300019637447	0	33	-3.0	-150.40	331.00	2.12	-148.28
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=C1	REAL300019637447	1	34	-2.0	-91.13	333.64	2.10	-89.03
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019637448	0	34	-2.0	-99.91	328.93	1.48	-98.43
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019637448	1	33	-3.0	-147.77	322.46	1.60	-146.17
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637449	1	39	-2.0	-108.84	355.96	0.40	-108.44
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637450	1	41	-2.0	-105.86	367.72	1.65	-104.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637452	0	30	-3.0	-153.97	310.20	0.68	-153.29
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637453	0	40	-2.0	-106.82	354.06	1.96	-104.86
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637454	0	34	-2.0	-86.25	330.87	1.50	-84.75
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637454	1	33	-3.0	-157.02	324.36	1.62	-155.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1F	REAL300019637455	0	36	-3.0	-165.96	343.72	2.26	-163.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1	REAL300019637456	0	35	-2.0	-100.15	332.88	-0.65	-100.80
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300019637457	0	33	-3.0	-151.76	323.41	1.63	-150.13
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300019637458	0	34	-2.0	-95.72	336.90	1.84	-93.88
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300019637458	1	33	-3.0	-146.06	330.43	1.96	-144.10
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637459	1	34	-2.0	-96.48	310.29	1.80	-94.68
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C	REAL300019637460	1	40	-2.0	-93.12	360.30	2.18	-90.94
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300019637461	0	34	-2.0	-99.04	336.76	0.68	-98.36
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1F	REAL300019637462	1	37	-2.0	-88.87	348.81	1.67	-87.20
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637463	0	33	-2.0	-97.60	316.00	-0.52	-98.12
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637464	1	35	-2.0	-106.01	331.73	2.17	-103.84
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637465	0	39	-2.0	-87.95	347.48	3.33	-84.62
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1[O-]	REAL300019637466	1	39	-2.0	-92.67	358.32	-2.21	-94.88
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637469	1	37	-2.0	-97.06	344.03	2.78	-94.28
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637470	1	37	-2.0	-96.70	332.37	2.43	-94.27
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637471	1	34	-2.0	-92.69	317.30	1.73	-90.96
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637473	0	37	-2.0	-94.66	347.37	0.45	-94.21
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C=C1	REAL300019637474	1	37	-2.0	-96.45	340.88	0.05	-96.40
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(F)=C1F	REAL300019637475	0	34	-2.0	-88.04	335.48	1.52	-86.52
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(F)=C1F	REAL300019637475	1	33	-3.0	-154.54	328.77	1.65	-152.89
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C(F)C=C1F	REAL300019637477	0	34	-2.0	-96.05	321.67	1.76	-94.29
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)C=C1	REAL300019637478	1	37	-2.0	-108.21	330.53	3.31	-104.90
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)C=C1	REAL300019637479	0	33	-2.0	-97.21	321.47	0.48	-96.73
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637480	0	34	-3.0	-167.78	327.66	-0.73	-168.51
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637480	1	34	-3.0	-167.99	326.86	0.06	-167.93
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)C=C1	REAL300019637481	1	41	-2.0	-104.18	344.80	3.62	-100.56
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637482	0	37	-2.0	-92.43	346.64	2.22	-90.21
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637482	1	36	-3.0	-157.25	340.11	2.34	-154.91
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019637483	0	37	-2.0	-93.70	350.89	0.71	-92.99
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C=C1	REAL300019637484	0	33	-2.0	-89.55	324.11	1.73	-87.82
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637485	0	36	-2.0	-110.06	345.31	2.05	-108.01
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300019637486	1	43	-2.0	-99.03	380.21	2.53	-96.50
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637487	0	34	-2.0	-106.67	332.22	1.69	-104.98
COC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)SC=C1	REAL300019637488	0	32	-2.0	-107.97	310.77	-0.30	-108.27
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)OC2=CC=C(F)C=C21	REAL300019637489	0	37	-2.0	-97.24	343.23	2.27	-94.97
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300019637490	0	34	-2.0	-101.30	319.25	1.39	-99.91
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C2C=C1	REAL300019637491	0	39	-2.0	-117.37	350.99	2.23	-115.14
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1F	REAL300019637492	0	36	-2.0	-98.18	343.52	2.36	-95.82
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637493	0	33	-2.0	-103.98	322.73	-0.26	-104.24
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637495	0	31	-2.0	-89.85	305.51	-0.09	-89.94
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)N=C1Cl	REAL300019637496	0	31	-2.0	-102.58	309.66	-0.18	-102.76
COC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(OC)=C1	REAL300019637497	0	39	-2.0	-102.91	348.46	-0.41	-103.32
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NON=C32)C=C1	REAL300019637498	0	32	-2.0	-103.83	305.31	-0.27	-104.10
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300019637499	0	39	-2.0	-111.74	340.56	3.80	-107.94
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637500	0	32	-2.0	-91.51	311.70	-1.17	-92.68
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637501	0	30	-2.0	-96.02	298.01	-1.18	-97.20
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637502	1	36	-2.0	-91.36	337.69	2.46	-88.90
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637503	0	37	-2.0	-90.86	330.59	2.19	-88.67
CC1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(C(=O)[O-])=C1F	REAL300019637505	0	37	-2.0	-90.98	349.48	2.07	-88.91
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637506	0	37	-2.0	-98.68	336.12	2.31	-96.37
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637507	0	37	-2.0	-104.83	348.45	2.10	-102.73
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300019637508	0	32	-2.0	-97.11	318.77	1.67	-95.44
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019637509	0	34	-2.0	-99.28	321.67	1.77	-97.51
COC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1[N+](=O)[O-]	REAL300019637510	0	37	-2.0	-85.63	345.00	1.74	-83.89
CC1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(C(=O)[O-])=C1C	REAL300019637511	0	40	-2.0	-89.18	357.49	2.49	-86.69
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C=C1	REAL300019637512	0	34	-2.0	-96.61	334.82	2.48	-94.13
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637515	0	33	-3.0	-155.36	329.69	1.68	-153.68
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC([N+](=O)[O-])=C1F	REAL300019637516	1	36	-2.0	-90.35	342.52	2.31	-88.04
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1	REAL300019637517	0	30	-2.0	-97.16	308.45	0.44	-96.72
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637518	0	37	-2.0	-106.57	334.93	1.38	-105.19
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637519	0	36	-2.0	-91.47	340.22	-0.17	-91.64
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C=C1	REAL300019637520	0	30	-2.0	-89.68	314.92	0.17	-89.51
CC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)=C1C(=O)[O-]	REAL300019637521	0	40	-2.0	-94.45	353.52	2.97	-91.48
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300019637522	0	36	-3.0	-165.89	339.42	2.16	-163.73
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637523	0	36	-3.0	-171.39	342.98	2.25	-169.14
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637524	1	39	-2.0	-105.19	352.56	2.27	-102.92
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637525	0	38	-2.0	-91.48	349.23	-1.40	-92.88
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C([N+](=O)[O-])=N1	REAL300019637526	0	36	-2.0	-103.73	339.80	1.83	-101.90
CCC1=CC=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300019637527	0	40	-2.0	-110.43	358.95	2.61	-107.82
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C=C1	REAL300019637528	0	42	-2.0	-97.27	366.64	-0.47	-97.74
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C#N	REAL300019637531	0	35	-2.0	-108.01	326.75	1.78	-106.23
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637532	0	37	-2.0	-97.55	341.18	1.45	-96.10
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637533	0	40	-2.0	-99.59	362.47	2.64	-96.95
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637534	0	37	-2.0	-106.62	336.81	1.74	-104.88
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)C=C1	REAL300019637535	0	39	-2.0	-95.70	347.54	-1.25	-96.95
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1F	REAL300019637537	0	34	-2.0	-105.22	315.30	1.70	-103.52
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637538	0	37	-2.0	-93.27	338.51	-1.39	-94.66
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN3CCCCC3=N2)C=C1	REAL300019637539	0	38	-2.0	-109.28	335.28	1.03	-108.25
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637540	1	38	-2.0	-100.03	344.55	0.73	-99.30
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637541	0	36	-2.0	-104.40	328.75	-2.02	-106.42
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Cl	REAL300019637542	0	34	-2.0	-102.23	321.35	2.14	-100.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)O1	REAL300019637544	0	34	-2.0	-98.47	312.46	0.58	-97.89
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)C=C1	REAL300019637545	0	37	-2.0	-104.50	335.74	-1.35	-105.85
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637547	1	38	-2.0	-99.14	336.08	1.02	-98.12
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(=O)OC)O1	REAL300019637548	0	40	-2.0	-95.06	366.48	1.40	-93.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019637550	0	31	-2.0	-99.07	294.08	-0.20	-99.27
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637551	0	34	-2.0	-100.36	323.14	1.41	-98.95
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)C=C1	REAL300019637552	1	34	-2.0	-96.66	315.53	-0.35	-97.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C2=NC=CC=C2C=C1	REAL300019637553	0	39	-2.0	-116.25	343.12	2.81	-113.44
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1	REAL300019637554	0	37	-2.0	-110.31	338.75	3.00	-107.31
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637555	0	37	-2.0	-103.72	341.12	2.45	-101.27
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1	REAL300019637556	0	33	-2.0	-83.49	322.21	1.69	-81.80
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C=C1	REAL300019637557	0	31	-2.0	-87.35	312.62	1.59	-85.76
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)O1	REAL300019637558	0	37	-2.0	-94.98	347.32	0.55	-94.43
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)C=C1	REAL300019637559	0	30	-2.0	-91.36	301.24	-0.32	-91.68
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)N=C1C	REAL300019637560	0	37	-2.0	-108.68	335.05	0.79	-107.89
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637561	0	34	-2.0	-101.77	324.03	2.22	-99.55
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300019637562	0	37	-3.0	-165.74	345.97	1.78	-163.96
CCN1C=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300019637562	1	38	-2.0	-94.49	352.38	1.64	-92.85
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637563	0	34	-2.0	-97.79	329.37	-0.26	-98.05
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637564	0	43	-2.0	-99.64	365.63	1.57	-98.07
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1C	REAL300019637565	0	41	-2.0	-102.20	372.51	2.03	-100.17
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637566	1	39	-2.0	-94.60	351.37	3.07	-91.53
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C=C1	REAL300019637567	0	31	-2.0	-104.44	305.55	1.79	-102.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=N1	REAL300019637568	0	33	-2.0	-98.74	319.38	0.31	-98.43
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637569	0	36	-2.0	-98.82	338.53	1.19	-97.63
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300019637570	1	35	-2.0	-91.99	344.68	2.47	-89.52
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637571	0	33	-2.0	-95.66	319.49	-0.43	-96.09
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C12	REAL300019637572	0	38	-2.0	-86.27	350.72	-1.29	-87.56
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637573	0	33	-2.0	-94.44	327.61	1.33	-93.11
COC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CN=C1Cl	REAL300019637575	0	34	-2.0	-89.68	330.33	-1.05	-90.73
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C=C1	REAL300019637576	0	33	-2.0	-89.53	324.20	0.22	-89.31
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637577	0	37	-2.0	-96.53	350.68	1.72	-94.81
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)C=C1	REAL300019637578	0	34	-2.0	-97.24	334.84	-1.77	-99.01
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637579	0	46	-2.0	-98.73	382.42	2.01	-96.72
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=C1	REAL300019637581	0	32	-2.0	-93.25	323.37	1.95	-91.30
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1	REAL300019637582	0	34	-2.0	-108.43	317.41	1.31	-107.12
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637583	0	36	-2.0	-96.09	339.45	-0.14	-96.23
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Br)O2)C=C1	REAL300019637584	0	28	-2.0	-93.19	293.86	-0.28	-93.47
CC1=NC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C2=CC=CC=C2)O1	REAL300019637585	0	40	-2.0	-106.17	363.81	0.09	-106.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1[N+](=O)[O-]	REAL300019637586	1	39	-2.0	-99.02	349.19	2.94	-96.08
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637587	0	41	-2.0	-106.96	353.04	2.75	-104.21
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C=C1	REAL300019637588	0	31	-2.0	-96.77	310.56	1.39	-95.38
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637592	0	31	-2.0	-93.39	318.46	1.22	-92.17
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)C=C1	REAL300019637593	1	34	-2.0	-101.10	323.65	1.93	-99.17
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)C=C1	REAL300019637594	0	34	-2.0	-92.51	327.40	-0.12	-92.63
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637595	0	35	-2.0	-106.78	325.57	2.06	-104.72
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)C=C1	REAL300019637596	1	34	-2.0	-96.50	334.84	-1.77	-98.27
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C=C1	REAL300019637597	0	39	-2.0	-94.01	358.92	2.28	-91.73
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637598	1	40	-2.0	-103.35	343.48	2.99	-100.36
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)=CS1	REAL300019637599	0	37	-2.0	-109.01	344.70	2.17	-106.84
COC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1F	REAL300019637600	1	35	-2.0	-88.93	325.20	0.37	-88.56
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)C=C1	REAL300019637601	0	30	-2.0	-105.35	302.18	1.40	-103.95
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CO2)C=C1	REAL300019637602	0	28	-2.0	-97.81	272.17	-1.01	-98.82
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637603	0	30	-2.0	-88.23	283.87	-2.59	-90.82
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)=CN=C21	REAL300019637604	0	36	-2.0	-94.62	333.83	0.12	-94.50
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1	REAL300019637605	0	30	-2.0	-91.17	310.65	0.76	-90.41
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637607	1	39	-2.0	-101.37	356.66	-0.78	-102.15
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCN23)C=C1	REAL300019637608	0	35	-2.0	-101.35	317.47	0.43	-100.92
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637609	0	32	-2.0	-97.11	323.39	1.95	-95.16
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C=C1	REAL300019637610	0	34	-2.0	-93.02	333.43	0.06	-92.96
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637611	1	37	-2.0	-99.80	319.74	2.71	-97.09
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637612	0	39	-2.0	-113.36	343.46	1.50	-111.86
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637614	0	34	-2.0	-104.82	309.08	1.96	-102.86
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C=C1	REAL300019637615	0	35	-2.0	-112.38	327.88	1.07	-111.31
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637616	0	44	-2.0	-98.38	380.59	2.49	-95.89
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C12	REAL300019637617	0	39	-2.0	-115.47	347.37	2.17	-113.30
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637619	1	35	-2.0	-103.24	340.74	-1.72	-104.96
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)C=C1	REAL300019637620	0	32	-2.0	-106.20	314.26	-0.70	-106.90
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637621	0	34	-2.0	-96.61	314.07	-1.54	-98.15
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637625	0	37	-2.0	-99.04	339.86	2.26	-96.78
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637626	1	41	-2.0	-100.66	358.74	0.68	-99.98
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637627	0	40	-2.0	-113.30	356.58	3.31	-109.99
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637629	0	34	-2.0	-103.11	334.43	-1.52	-104.63
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637629	1	33	-3.0	-158.65	331.14	-2.65	-161.30
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019637630	1	38	-2.0	-95.77	350.66	0.01	-95.76
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637631	0	36	-2.0	-101.27	346.26	-3.39	-104.66
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637632	1	35	-2.0	-102.26	322.33	2.25	-100.01
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637633	1	35	-2.0	-106.10	331.73	2.15	-103.95
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C=C1	REAL300019637634	0	31	-2.0	-94.15	319.34	2.06	-92.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(N)=NO1	REAL300019637636	0	32	-2.0	-90.04	297.02	-1.63	-91.67
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637637	0	35	-2.0	-103.55	334.48	1.30	-102.25
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C=C1	REAL300019637638	0	32	-2.0	-95.44	316.98	-0.23	-95.67
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637641	1	38	-2.0	-102.76	334.45	1.06	-101.70
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637644	0	29	-2.0	-90.99	301.99	0.55	-90.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637645	0	33	-2.0	-97.23	306.08	-0.18	-97.41
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C=C1	REAL300019637646	0	36	-2.0	-95.34	330.66	1.36	-93.98
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300019637647	0	37	-2.0	-97.88	349.73	1.72	-96.16
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019637648	0	37	-2.0	-90.11	348.79	1.68	-88.43
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C#N	REAL300019637649	1	35	-2.0	-92.76	329.45	1.89	-90.87
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C=C1	REAL300019637650	0	30	-2.0	-86.03	307.22	-0.32	-86.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300019637652	0	35	-2.0	-101.14	324.46	0.35	-100.79
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1[N+](=O)[O-]	REAL300019637653	0	39	-2.0	-111.51	350.26	4.18	-107.33
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C=C1	REAL300019637654	1	37	-2.0	-100.41	350.47	2.78	-97.63
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)C=C1	REAL300019637656	1	34	-2.0	-97.40	321.67	1.87	-95.53
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C=C1	REAL300019637657	1	41	-2.0	-99.65	363.68	4.41	-95.24
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)N(C)N=C1	REAL300019637659	0	34	-2.0	-92.29	305.34	-0.49	-92.78
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019637661	0	29	-2.0	-91.37	293.41	-0.46	-91.83
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CSC=C2)C=C1	REAL300019637662	0	28	-2.0	-91.83	280.58	-0.10	-91.93
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=COC=C2)C=C1	REAL300019637663	0	28	-2.0	-96.70	272.02	-1.13	-97.83
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637664	0	42	-2.0	-108.86	372.81	0.50	-108.36
CC1=CC(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C(=O)[O-]	REAL300019637665	0	37	-2.0	-96.45	340.57	1.96	-94.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C(=O)[O-]	REAL300019637665	1	36	-3.0	-152.43	333.95	2.10	-150.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637666	0	34	-2.0	-93.33	316.66	-2.32	-95.65
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C=C1	REAL300019637667	0	31	-2.0	-99.43	311.71	1.58	-97.85
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637669	0	42	-2.0	-101.72	367.61	2.11	-99.61
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637670	0	40	-2.0	-101.82	367.01	3.77	-98.05
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637671	0	40	-2.0	-101.57	362.84	3.48	-98.09
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)C=C1	REAL300019637672	0	34	-2.0	-101.53	326.05	2.35	-99.18
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)N(C)N=C1	REAL300019637673	0	40	-2.0	-99.70	360.55	0.99	-98.71
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2O1	REAL300019637674	0	42	-2.0	-111.90	367.35	2.22	-109.68
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)C=C1	REAL300019637675	0	34	-2.0	-104.59	316.09	-0.38	-104.97
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637676	1	37	-2.0	-93.01	343.62	2.80	-90.21
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637677	1	38	-2.0	-97.55	340.83	1.22	-96.33
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1	REAL300019637678	0	31	-2.0	-100.73	311.82	1.86	-98.87
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637679	0	37	-2.0	-123.87	333.89	-1.41	-125.28
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1	REAL300019637680	1	40	-2.0	-102.35	356.78	3.93	-98.42
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CS2)C=C1	REAL300019637681	0	28	-2.0	-99.59	297.46	0.45	-99.14
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637682	0	31	-2.0	-98.51	303.06	0.66	-97.85
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CNN=C2Cl)C=C1	REAL300019637683	0	28	-2.0	-94.90	287.77	-2.19	-97.09
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C=C1	REAL300019637684	0	30	-2.0	-93.64	296.42	-0.91	-94.55
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637685	0	40	-2.0	-94.43	353.93	0.05	-94.38
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637686	0	40	-2.0	-93.71	358.66	-0.46	-94.17
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1	REAL300019637689	0	34	-2.0	-95.64	325.66	1.46	-94.18
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637690	0	36	-2.0	-105.46	336.55	-0.04	-105.50
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637691	0	30	-2.0	-92.62	297.98	-0.71	-93.33
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)N=S2(=O)CCCC2)C=C1	REAL300019637693	0	35	-2.0	-124.93	320.64	-1.73	-126.66
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CS2)C=C1	REAL300019637695	0	28	-2.0	-102.25	287.76	0.04	-102.21
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C2NC1=O	REAL300019637696	1	40	-2.0	-96.19	360.54	0.73	-95.46
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)C=C1	REAL300019637697	0	37	-2.0	-111.77	350.30	-0.58	-112.35
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C(F)(F)F)=N1	REAL300019637698	0	34	-2.0	-98.56	329.46	-0.17	-98.73
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C=C1	REAL300019637699	1	40	-2.0	-99.37	354.29	2.59	-96.78
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019637700	1	32	-2.0	-86.21	316.18	1.43	-84.78
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C(F)C=C1[N+](=O)[O-]	REAL300019637703	0	36	-2.0	-91.35	341.83	2.35	-89.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637704	0	37	-2.0	-114.67	340.65	2.34	-112.33
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C=C1	REAL300019637705	0	32	-2.0	-97.02	322.37	0.28	-96.74
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637707	0	31	-2.0	-122.77	294.84	-3.07	-125.84
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C=C1	REAL300019637708	0	31	-2.0	-91.26	322.05	1.19	-90.07
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=NC=CN2)C=C1	REAL300019637709	0	28	-2.0	-99.69	271.10	-2.43	-102.12
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C3OCCCN3N=C2)C=C1	REAL300019637710	0	36	-2.0	-105.04	326.47	-2.10	-107.14
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637711	0	34	-2.0	-101.59	320.93	1.53	-100.06
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CN=C1C	REAL300019637712	0	39	-2.0	-91.99	355.72	0.33	-91.66
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C=C1	REAL300019637713	0	32	-2.0	-89.17	312.87	-0.16	-89.33
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637714	0	33	-2.0	-90.73	317.04	0.37	-90.36
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C(F)(F)F	REAL300019637715	1	37	-2.0	-92.83	343.91	2.50	-90.33
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637716	1	40	-2.0	-106.83	366.44	2.42	-104.41
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C=C1	REAL300019637717	1	33	-2.0	-90.38	329.24	0.86	-89.52
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1C	REAL300019637721	0	34	-2.0	-98.66	312.39	-0.80	-99.46
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637722	1	35	-2.0	-100.36	320.56	2.08	-98.28
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637723	0	34	-2.0	-97.97	314.68	-0.70	-98.67
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637724	1	38	-2.0	-93.09	361.28	1.23	-91.86
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637725	0	31	-2.0	-90.85	305.35	-0.40	-91.25
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C=C1	REAL300019637727	1	36	-2.0	-93.18	335.90	-1.81	-94.99
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C=C1	REAL300019637729	0	31	-2.0	-95.72	305.16	-1.47	-97.19
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)C=C1	REAL300019637730	0	37	-2.0	-92.74	335.78	0.92	-91.82
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C=C1	REAL300019637732	0	39	-2.0	-86.59	360.63	-0.44	-87.03
O=C1NC2=CC(F)=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2O1	REAL300019637734	0	34	-2.0	-96.19	326.71	-1.43	-97.62
COC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1Cl	REAL300019637735	1	35	-2.0	-89.45	335.00	0.86	-88.59
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637736	0	35	-2.0	-108.85	341.08	-2.36	-111.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1F	REAL300019637737	0	33	-3.0	-170.64	321.56	1.58	-169.06
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(Br)NC=N2)C=C1	REAL300019637738	0	28	-2.0	-102.88	288.84	-1.00	-103.88
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1	REAL300019637739	0	33	-2.0	-110.28	320.68	0.41	-109.87
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)C=C1	REAL300019637740	1	36	-2.0	-97.93	325.28	0.84	-97.09
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C=C1	REAL300019637742	0	37	-2.0	-107.17	340.00	3.30	-103.87
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C=C1	REAL300019637743	0	34	-2.0	-102.78	329.65	0.07	-102.71
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637744	0	34	-2.0	-101.32	316.60	2.50	-98.82
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)C=C1	REAL300019637745	0	36	-2.0	-109.57	325.79	0.81	-108.76
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300019637751	0	34	-2.0	-106.46	319.39	1.94	-104.52
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C=C1	REAL300019637752	0	30	-2.0	-92.10	314.52	0.19	-91.91
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300019637753	1	36	-2.0	-94.93	333.33	-0.56	-95.49
CS(=O)(=NS(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300019637754	0	38	-2.0	-119.78	351.70	-0.29	-120.07
CC1=C(F)C=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300019637755	0	37	-2.0	-103.03	349.36	2.12	-100.91
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(=O)[O-]	REAL300019637755	1	36	-3.0	-159.03	342.91	2.23	-156.80
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637757	0	35	-2.0	-103.78	324.15	0.84	-102.94
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C=C1	REAL300019637758	1	34	-2.0	-86.25	329.06	0.10	-86.15
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1[N+](=O)[O-]	REAL300019637759	1	39	-2.0	-98.10	351.89	2.81	-95.29
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300019637761	0	34	-2.0	-90.34	332.74	-1.78	-92.12
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637762	0	30	-2.0	-90.41	286.43	-1.06	-91.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1Cl	REAL300019637763	1	34	-2.0	-94.78	324.95	2.09	-92.69
O=C1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C12	REAL300019637764	1	37	-2.0	-108.81	337.58	1.97	-106.84
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C([N+](=O)[O-])S1	REAL300019637765	0	33	-2.0	-105.17	324.06	2.19	-102.98
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637766	0	36	-2.0	-112.84	331.59	-3.03	-115.87
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2S1	REAL300019637767	1	34	-2.0	-90.44	331.48	-0.81	-91.25
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CN=C2F)C=C1	REAL300019637768	0	30	-2.0	-101.41	290.01	-0.84	-102.25
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)N=C2)C=C1	REAL300019637771	0	30	-2.0	-90.16	290.88	-0.85	-91.01
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=CS1	REAL300019637773	0	29	-2.0	-102.36	299.89	0.40	-101.96
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C=C1	REAL300019637776	1	31	-2.0	-87.09	312.07	1.57	-85.52
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)C=C1	REAL300019637777	0	40	-2.0	-106.14	351.19	1.35	-104.79
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)C=C1	REAL300019637778	0	39	-2.0	-109.57	341.68	2.19	-107.38
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637779	0	41	-2.0	-98.89	365.27	-0.09	-98.98
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637785	1	38	-2.0	-105.53	345.40	-1.57	-107.10
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)NC1=O	REAL300019637786	0	34	-2.0	-102.06	317.89	-2.32	-104.38
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)N(C)N=C1	REAL300019637788	0	37	-2.0	-99.44	338.68	0.07	-99.37
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)N1C	REAL300019637791	0	34	-2.0	-98.72	311.08	-0.09	-98.81
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637792	1	44	-2.0	-97.97	379.51	2.66	-95.31
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019637795	0	36	-2.0	-104.11	334.73	3.09	-101.02
CCC1=NC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1CC1CC1	REAL300019637796	0	44	-2.0	-108.83	388.19	2.94	-105.89
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019637797	0	37	-2.0	-94.23	346.92	0.37	-93.86
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)C=C1	REAL300019637798	0	34	-2.0	-96.36	329.23	0.49	-95.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)=C1[N+](=O)[O-]	REAL300019637799	1	39	-2.0	-95.44	353.15	3.33	-92.11
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637800	0	34	-2.0	-86.41	331.09	-0.39	-86.80
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C=C1	REAL300019637801	0	30	-2.0	-94.33	306.88	-0.41	-94.74
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C=C1	REAL300019637802	1	41	-2.0	-110.67	355.58	4.39	-106.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1F	REAL300019637804	0	34	-2.0	-101.61	321.57	1.77	-99.84
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)OC=C1	REAL300019637805	0	34	-2.0	-109.41	325.75	0.01	-109.40
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300019637807	0	33	-2.0	-111.10	316.57	-0.02	-111.12
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)=N1	REAL300019637808	0	43	-2.0	-97.47	379.23	1.69	-95.78
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637809	0	32	-3.0	-164.30	314.16	-0.33	-164.63
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637810	0	35	-2.0	-99.25	322.09	1.06	-98.19
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019637811	1	43	-2.0	-96.91	367.71	3.25	-93.66
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637812	0	32	-2.0	-87.19	316.72	1.46	-85.73
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C(F)(F)F	REAL300019637813	0	34	-2.0	-94.52	322.64	-0.38	-94.90
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)C=C1	REAL300019637814	0	33	-2.0	-97.64	312.75	0.04	-97.60
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)C=C1	REAL300019637814	1	33	-2.0	-111.16	312.65	0.18	-110.98
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)C=C1	REAL300019637815	0	35	-2.0	-106.49	323.22	0.95	-105.54
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637816	0	41	-2.0	-96.14	350.46	1.12	-95.02
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C(C)(C)C)=N1	REAL300019637817	0	43	-2.0	-97.00	357.78	1.57	-95.43
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)C=C1	REAL300019637819	0	41	-2.0	-97.07	356.89	1.35	-95.72
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637820	0	34	-2.0	-90.48	322.78	-0.06	-90.54
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=CC=C2O)C=C1	REAL300019637822	0	32	-2.0	-99.39	305.67	-1.24	-100.63
O=C1[N-]N=NN1C1=CC=C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1	REAL300019637822	1	32	-2.0	-82.60	304.86	-0.48	-83.08
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637824	0	34	-2.0	-112.48	320.47	-1.34	-113.82
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637825	0	37	-2.0	-98.08	333.66	0.08	-98.00
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019637826	0	36	-2.0	-95.11	335.27	1.49	-93.62
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637827	0	31	-2.0	-92.40	294.68	-1.65	-94.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C#N)=C1	REAL300019637828	0	35	-2.0	-105.96	328.98	1.95	-104.01
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637829	0	35	-2.0	-107.69	321.19	2.23	-105.46
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C=C1	REAL300019637830	1	34	-2.0	-91.19	328.68	1.95	-89.24
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637832	1	38	-2.0	-103.39	353.23	2.96	-100.43
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637834	0	31	-2.0	-89.79	308.73	-3.21	-93.00
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=NS2)C=C1	REAL300019637836	0	27	-2.0	-92.23	276.22	-1.30	-93.53
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637839	0	37	-3.0	-157.19	346.15	1.35	-155.84
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637839	1	38	-2.0	-95.40	348.86	1.30	-94.10
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(N)=O)O1	REAL300019637840	0	35	-2.0	-99.13	328.99	-3.40	-102.53
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637841	1	40	-2.0	-100.37	341.14	3.50	-96.87
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)F)C=C1	REAL300019637842	0	31	-2.0	-105.47	304.21	1.11	-104.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C(Cl)O1	REAL300019637844	0	30	-3.0	-152.72	318.09	0.53	-152.19
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)C=C1	REAL300019637845	0	36	-2.0	-107.91	325.73	1.50	-106.41
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637846	0	38	-2.0	-101.20	350.87	1.20	-100.00
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1F	REAL300019637847	0	32	-2.0	-101.69	315.28	1.42	-100.27
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300019637848	0	30	-2.0	-101.09	288.28	-2.68	-103.77
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637849	0	34	-2.0	-90.11	344.05	0.28	-89.83
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1	REAL300019637850	0	38	-2.0	-97.22	339.38	0.67	-96.55
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCC2)C=C1	REAL300019637851	0	38	-2.0	-95.90	337.94	0.82	-95.08
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)C=C1	REAL300019637852	0	41	-2.0	-95.71	359.04	1.51	-94.20
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=NN2C1	REAL300019637853	0	42	-2.0	-105.15	364.53	-1.00	-106.15
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C=C1	REAL300019637854	1	37	-2.0	-97.40	340.21	-1.78	-99.18
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(Br)C=CO2)C=C1	REAL300019637855	0	28	-2.0	-97.73	293.59	-0.42	-98.15
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019637856	1	35	-2.0	-89.45	335.35	0.54	-88.91
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=C3CCCCN23)C=C1	REAL300019637857	0	38	-2.0	-99.15	332.41	1.06	-98.09
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300019637858	0	35	-2.0	-97.42	330.68	0.42	-97.00
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637859	0	41	-2.0	-105.19	363.93	2.38	-102.81
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637860	0	34	-2.0	-96.11	312.89	1.69	-94.42
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2O1	REAL300019637861	0	39	-2.0	-110.72	346.65	1.58	-109.14
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637862	0	39	-2.0	-96.50	358.15	0.65	-95.85
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CC1	REAL300019637863	1	39	-2.0	-102.16	357.72	3.21	-98.95
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637864	0	35	-2.0	-102.65	329.48	1.61	-101.04
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CSC=C2Cl)C=C1	REAL300019637865	0	28	-2.0	-96.94	294.91	0.43	-96.51
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C=C1	REAL300019637866	0	33	-2.0	-90.27	323.63	0.19	-90.08
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637867	0	36	-2.0	-113.54	331.22	0.58	-112.96
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637868	0	33	-2.0	-89.09	305.70	-1.72	-90.81
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)C=C1	REAL300019637870	1	32	-2.0	-85.22	304.36	-0.22	-85.44
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1	REAL300019637871	0	34	-2.0	-101.41	328.34	2.42	-98.99
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C=C1	REAL300019637872	0	34	-2.0	-113.51	334.39	0.70	-112.81
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637873	0	38	-2.0	-92.90	340.41	0.76	-92.14
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1OC	REAL300019637875	0	39	-2.0	-104.03	345.05	0.84	-103.19
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=COC3=CC=CC=C23)C=C1	REAL300019637876	0	34	-2.0	-101.58	319.25	1.28	-100.30
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1OC	REAL300019637877	0	39	-2.0	-106.94	348.91	1.31	-105.63
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C2CCCC2)=N1	REAL300019637878	0	44	-2.0	-101.16	378.31	1.88	-99.28
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CC=C2S1	REAL300019637879	0	35	-2.0	-104.01	340.34	2.93	-101.08
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C2CC2)=N1	REAL300019637880	0	38	-2.0	-100.41	346.62	0.87	-99.54
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C=C1	REAL300019637882	0	34	-2.0	-106.99	318.91	0.21	-106.78
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C21	REAL300019637883	0	36	-2.0	-116.19	334.03	-0.61	-116.80
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)=C21	REAL300019637884	0	38	-2.0	-101.38	330.42	2.92	-98.46
CC1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=CN=C1N	REAL300019637885	1	35	-2.0	-99.24	317.51	-1.30	-100.54
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637886	0	31	-2.0	-96.84	306.77	-3.14	-99.98
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)N=CN1	REAL300019637887	0	31	-2.0	-106.80	288.59	-0.91	-107.71
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C=C1	REAL300019637889	0	34	-2.0	-98.02	323.20	1.38	-96.64
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C2CCC2)=N1	REAL300019637890	0	41	-2.0	-100.67	361.70	1.38	-99.29
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)SC=C2)C=C1	REAL300019637891	0	28	-2.0	-96.72	295.32	0.54	-96.18
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1	REAL300019637892	0	41	-2.0	-93.47	363.45	1.63	-91.84
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)C=C1	REAL300019637893	0	35	-2.0	-103.11	326.24	2.19	-100.92
COC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C2=NC=CC=C2C=C1	REAL300019637894	0	40	-2.0	-124.21	354.92	2.21	-122.00
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637895	1	40	-2.0	-96.74	353.87	3.21	-93.53
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637896	0	37	-2.0	-91.19	345.76	-0.67	-91.86
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637897	0	32	-2.0	-102.06	313.99	1.35	-100.71
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637898	0	38	-2.0	-96.99	335.20	0.52	-96.47
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637901	0	40	-2.0	-95.77	338.94	0.69	-95.08
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637902	0	40	-2.0	-93.86	353.98	0.70	-93.16
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)C=C1	REAL300019637903	0	38	-2.0	-97.76	337.99	0.10	-97.66
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637904	0	42	-2.0	-96.91	363.75	1.81	-95.10
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)C=C1	REAL300019637905	0	33	-2.0	-84.31	328.51	1.73	-82.58
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(CF)C=C2)C=C1	REAL300019637906	1	34	-2.0	-99.81	317.47	1.82	-97.99
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C=C1	REAL300019637907	0	31	-2.0	-98.25	311.04	1.37	-96.88
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C=C1	REAL300019637908	0	31	-2.0	-91.79	321.21	1.10	-90.69
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637909	0	34	-2.0	-92.67	311.66	-0.79	-93.46
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)C=C1	REAL300019637912	0	34	-2.0	-109.32	310.47	2.28	-107.04
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637913	1	42	-2.0	-104.72	374.06	3.03	-101.69
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637915	1	40	-2.0	-100.17	367.90	2.65	-97.52
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Cl	REAL300019637916	0	32	-2.0	-98.94	322.11	1.85	-97.09
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1	REAL300019637917	0	31	-2.0	-99.30	309.49	1.24	-98.06
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1	REAL300019637918	1	38	-2.0	-101.46	338.71	3.09	-98.37
COC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=CS1	REAL300019637919	0	32	-2.0	-103.78	311.74	-0.57	-104.35
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637920	0	37	-2.0	-94.97	355.66	1.34	-93.63
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C=C1	REAL300019637921	0	38	-2.0	-102.42	344.20	3.16	-99.26
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)C=C1	REAL300019637922	0	41	-2.0	-96.41	355.47	1.53	-94.88
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637923	0	40	-2.0	-95.74	350.62	0.82	-94.92
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019637924	1	40	-2.0	-106.13	360.69	-1.49	-107.62
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)C2=N1	REAL300019637926	0	36	-2.0	-108.91	333.09	-0.65	-109.56
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019637927	0	34	-2.0	-99.06	315.56	0.58	-98.48
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C=C1	REAL300019637928	0	31	-2.0	-92.12	313.34	0.21	-91.91
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637929	0	35	-2.0	-96.40	330.43	0.90	-95.50
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637930	1	37	-2.0	-99.48	342.70	2.52	-96.96
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C=C1	REAL300019637931	1	35	-2.0	-94.94	328.73	0.58	-94.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019637932	0	32	-2.0	-96.61	313.28	-0.55	-97.16
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C2=NC=CC=C12	REAL300019637933	0	42	-2.0	-116.01	360.94	3.33	-112.68
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN(CCF)N=C2)C=C1	REAL300019637935	0	34	-2.0	-90.84	322.15	-0.31	-91.15
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637936	1	41	-2.0	-97.58	366.40	1.69	-95.89
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637937	0	41	-2.0	-95.97	370.51	2.12	-93.85
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C=C1	REAL300019637938	0	44	-2.0	-96.66	375.88	1.95	-94.71
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2CF)C=C1	REAL300019637939	1	34	-2.0	-102.21	311.07	1.91	-100.30
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)C=C1	REAL300019637940	0	34	-2.0	-103.77	316.48	1.34	-102.43
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)C=C1	REAL300019637941	1	33	-2.0	-96.71	320.42	0.39	-96.32
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300019637942	0	33	-2.0	-96.94	310.19	-2.15	-99.09
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Cl	REAL300019637943	0	34	-2.0	-95.19	331.17	-0.09	-95.28
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)O2)C=C1	REAL300019637944	0	28	-2.0	-92.87	289.23	-0.39	-93.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CC=C12	REAL300019637945	1	40	-2.0	-108.86	348.25	3.84	-105.02
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C=C1	REAL300019637947	0	31	-2.0	-94.00	317.04	1.60	-92.40
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019637948	0	37	-2.0	-108.53	353.10	-2.72	-111.25
CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C2=CC=CC=C2)=N1	REAL300019637949	0	41	-2.0	-102.32	366.92	2.41	-99.91
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)C=C1	REAL300019637951	0	35	-2.0	-99.67	333.30	2.31	-97.36
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1[N+](=O)[O-]	REAL300019637952	0	34	-2.0	-90.38	334.93	1.81	-88.57
CC1=COC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637954	0	31	-2.0	-98.34	294.06	-0.34	-98.68
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300019637955	0	37	-2.0	-97.08	349.68	-1.20	-98.28
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1OC	REAL300019637956	0	36	-2.0	-102.01	342.44	-0.99	-103.00
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C=C1	REAL300019637957	0	30	-2.0	-85.83	307.11	-0.37	-86.20
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637958	0	37	-2.0	-96.87	332.89	0.99	-95.88
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300019637959	1	38	-2.0	-101.62	343.19	2.76	-98.86
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C=C1	REAL300019637960	0	28	-2.0	-88.68	314.56	1.10	-87.58
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1Cl	REAL300019637961	0	31	-2.0	-94.91	309.34	-0.96	-95.87
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1)C(F)F	REAL300019637962	1	36	-2.0	-97.17	342.16	1.67	-95.50
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637963	0	37	-2.0	-111.86	327.31	2.82	-109.04
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)OC=C1	REAL300019637964	0	29	-2.0	-99.80	291.33	-0.55	-100.35
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637965	0	33	-2.0	-91.42	317.22	0.39	-91.03
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637966	1	42	-2.0	-98.29	373.12	2.62	-95.67
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C2CC2)=N1	REAL300019637967	0	41	-2.0	-100.62	366.34	1.78	-98.84
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C2=NSN=C2C=C1	REAL300019637968	0	35	-2.0	-107.38	327.50	0.36	-107.02
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)NC(=O)N1	REAL300019637969	0	34	-2.0	-101.17	312.57	-3.29	-104.46
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637971	0	44	-2.0	-97.26	377.38	2.13	-95.13
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1	REAL300019637972	0	28	-2.0	-96.00	288.25	-0.50	-96.50
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(Cl)=CS2)C=C1	REAL300019637973	0	28	-2.0	-93.37	298.30	0.51	-92.86
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637974	0	39	-2.0	-93.87	341.79	-1.27	-95.14
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)C=C1	REAL300019637975	1	38	-2.0	-104.21	333.04	3.16	-101.05
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)=N1	REAL300019637979	1	37	-2.0	-93.44	332.33	-1.57	-95.01
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637980	0	37	-2.0	-103.73	336.87	-1.18	-104.91
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637981	0	34	-2.0	-97.80	332.18	-1.31	-99.11
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C	REAL300019637982	0	37	-2.0	-90.20	336.80	-1.59	-91.79
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019637983	0	40	-2.0	-97.28	356.90	1.09	-96.19
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637984	0	40	-2.0	-98.19	354.90	0.66	-97.53
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C=C1	REAL300019637985	0	30	-2.0	-96.24	316.82	-1.03	-97.27
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=CO1	REAL300019637986	0	29	-2.0	-98.79	292.44	-0.59	-99.38
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)SC=C1	REAL300019637987	0	29	-2.0	-103.53	301.53	0.33	-103.20
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019637988	0	37	-2.0	-95.17	332.40	0.18	-94.99
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C	REAL300019637989	0	39	-2.0	-87.93	356.26	0.36	-87.57
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637990	0	34	-2.0	-105.75	328.78	2.76	-102.99
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)C=C1	REAL300019637991	0	38	-2.0	-95.31	343.48	0.98	-94.33
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C=C1	REAL300019637992	0	38	-2.0	-102.58	345.73	2.01	-100.57
COC1=NOC(CS(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019637993	0	34	-2.0	-96.37	320.54	-2.65	-99.02
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1C(C)C	REAL300019637994	0	40	-2.0	-99.17	353.98	0.74	-98.43
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C=C1	REAL300019637995	1	38	-2.0	-95.74	349.34	3.19	-92.55
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)C=C1	REAL300019637996	0	33	-2.0	-99.58	318.72	0.11	-99.47
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C=C1	REAL300019637998	1	38	-2.0	-101.06	351.01	3.22	-97.84
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)C=C1	REAL300019637999	0	35	-2.0	-101.10	339.94	1.45	-99.65
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC(O)=C2)C=C1	REAL300019638000	1	32	-2.0	-96.02	300.49	-1.86	-97.88
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019638001	1	40	-2.0	-103.92	354.15	2.66	-101.26
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C=C1	REAL300019638002	0	34	-2.0	-102.58	327.15	1.93	-100.65
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CSN=C2)C=C1	REAL300019638003	0	27	-2.0	-90.35	275.14	-1.41	-91.76
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C=C1	REAL300019638004	0	35	-2.0	-109.34	337.36	0.26	-109.08
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C=C1	REAL300019638005	1	38	-2.0	-107.04	344.96	3.28	-103.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C(F)F)=C1	REAL300019638006	1	38	-2.0	-99.19	340.47	1.48	-97.71
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019638007	0	36	-2.0	-107.13	330.26	0.58	-106.55
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019638008	0	37	-2.0	-115.62	342.17	2.50	-113.12
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C2=NC=CC=C12	REAL300019638009	0	39	-2.0	-116.07	347.22	2.16	-113.91
CCC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(=O)[O-])O1	REAL300019638010	0	36	-3.0	-159.58	340.07	1.55	-158.03
CCC1=C(S(=O)(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(C(=O)[O-])O1	REAL300019638010	1	37	-2.0	-109.57	342.45	0.99	-108.58
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019638011	0	44	-2.0	-109.55	378.94	2.99	-106.56
CC1=C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C(Cl)S1	REAL300019638012	0	31	-2.0	-93.80	314.76	1.39	-92.41
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=CN=CS2)C=C1	REAL300019638013	0	27	-2.0	-94.72	276.06	-1.89	-96.61
O=C1[N-]N=NN1C1=CC=C([N-]S(=O)(=O)C2=C3CCCCN3N=C2)C=C1	REAL300019638014	0	38	-2.0	-100.12	335.20	0.31	-99.81
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019638015	0	34	-2.0	-104.56	316.40	1.72	-102.84
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638016	0	36	-2.0	-108.56	352.06	4.32	-104.24
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638016	1	36	-2.0	-108.50	352.09	4.32	-104.18
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2OCCC2=C1	REAL300019638017	0	35	-2.0	-104.68	333.19	3.51	-101.17
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2CC1	REAL300019638018	1	38	-2.0	-106.78	351.77	6.07	-100.71
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL300019638019	0	30	-2.0	-112.13	305.78	3.93	-108.20
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL300019638019	1	30	-2.0	-112.13	305.81	3.93	-108.20
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1[O-]	REAL300019638020	0	32	-3.0	-167.63	330.75	3.37	-164.26
O=[N+]([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1[O-]	REAL300019638020	1	33	-2.0	-91.41	328.94	3.47	-87.94
O=[N+]([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1[O-]	REAL300019638020	1	33	-2.0	-91.36	328.96	3.47	-87.89
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(Cl)N=C1	REAL300019638021	0	29	-2.0	-95.89	309.14	2.29	-93.60
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(Cl)N=C1	REAL300019638021	1	29	-2.0	-95.84	309.17	2.30	-93.54
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638022	0	31	-2.0	-100.82	318.11	4.05	-96.77
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638022	1	31	-2.0	-100.77	318.14	4.06	-96.71
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638023	0	31	-2.0	-96.71	318.09	4.06	-92.65
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638023	1	31	-2.0	-96.70	318.13	4.06	-92.64
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1F	REAL300019638024	0	30	-2.0	-102.31	319.50	4.25	-98.06
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1F	REAL300019638024	1	30	-2.0	-102.28	319.54	4.25	-98.03
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1F	REAL300019638025	0	32	-3.0	-178.82	330.28	4.25	-174.57
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1F	REAL300019638025	1	33	-2.0	-108.51	328.43	4.34	-104.17
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1F	REAL300019638025	1	33	-2.0	-108.51	328.44	4.34	-104.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300019638026	0	35	-2.0	-103.47	341.48	4.85	-98.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300019638026	1	35	-2.0	-103.42	341.51	4.85	-98.57
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2CCCCC2=C1	REAL300019638027	0	40	-2.0	-108.01	360.00	6.15	-101.86
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2CCCCC2=C1	REAL300019638027	1	40	-2.0	-107.96	360.03	6.15	-101.81
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638028	0	32	-3.0	-167.66	325.72	4.23	-163.43
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638028	1	33	-2.0	-92.40	323.80	4.32	-88.08
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638028	1	33	-2.0	-92.41	323.81	4.32	-88.09
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638029	0	38	-2.0	-112.02	355.01	2.74	-109.28
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638029	1	38	-2.0	-111.99	355.04	2.74	-109.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1OC	REAL300019638030	0	38	-2.0	-104.39	356.00	2.87	-101.52
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2CCCC2=C1	REAL300019638031	0	37	-2.0	-108.14	342.83	5.56	-102.58
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2CCCC2=C1	REAL300019638031	1	37	-2.0	-108.13	342.86	5.57	-102.56
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638032	0	32	-2.0	-96.35	312.20	2.59	-93.76
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638032	1	32	-2.0	-96.33	312.23	2.59	-93.74
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638033	0	32	-3.0	-182.24	325.74	4.22	-178.02
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638033	1	33	-2.0	-108.31	323.88	4.30	-104.01
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638033	1	32	-3.0	-182.17	325.77	4.22	-177.95
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300019638034	0	30	-2.0	-95.14	309.97	3.78	-91.36
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300019638034	1	30	-2.0	-95.08	310.00	3.78	-91.30
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638035	0	33	-2.0	-106.35	318.68	4.32	-102.03
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638035	1	33	-2.0	-106.25	318.71	4.32	-101.93
O=S(=O)(C=CC1=CC=CC=C1)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638036	1	34	-2.0	-105.16	329.18	4.83	-100.33
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300019638037	0	30	-2.0	-101.54	314.00	4.17	-97.37
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300019638037	1	30	-2.0	-101.50	314.03	4.18	-97.32
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638038	0	35	-2.0	-103.98	338.51	4.09	-99.89
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638038	1	35	-2.0	-103.98	338.55	4.09	-99.89
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638039	0	36	-2.0	-105.18	334.17	5.09	-100.09
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638039	1	36	-2.0	-105.13	334.21	5.09	-100.04
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C	REAL300019638040	0	36	-2.0	-107.54	335.69	4.86	-102.68
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL300019638041	0	30	-2.0	-95.34	319.86	4.22	-91.12
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL300019638041	1	30	-2.0	-95.33	319.89	4.22	-91.11
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638042	0	35	-2.0	-114.91	338.54	4.07	-110.84
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638042	1	35	-2.0	-114.85	338.57	4.07	-110.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C)=C1	REAL300019638043	0	36	-2.0	-104.67	334.17	5.09	-99.58
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638044	0	42	-2.0	-105.55	373.49	5.99	-99.56
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638045	0	39	-2.0	-105.30	357.51	5.60	-99.70
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638045	1	39	-2.0	-105.25	357.54	5.60	-99.65
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638046	0	42	-2.0	-104.97	375.96	6.26	-98.71
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638046	1	42	-2.0	-104.94	375.99	6.26	-98.68
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(Cl)S1	REAL300019638047	0	27	-2.0	-97.55	306.25	3.28	-94.27
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL300019638047	1	27	-2.0	-97.59	306.28	3.28	-94.31
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638048	0	39	-2.0	-104.81	361.67	5.89	-98.92
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638048	1	39	-2.0	-104.78	361.70	5.89	-98.89
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638049	0	34	-2.0	-110.82	325.53	3.46	-107.36
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638049	1	34	-2.0	-110.78	325.57	3.46	-107.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300019638050	0	35	-3.0	-184.21	341.75	4.76	-179.45
CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300019638050	1	36	-2.0	-88.97	339.99	4.85	-84.12
CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300019638050	1	36	-2.0	-88.91	339.98	4.85	-84.06
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1F	REAL300019638051	0	30	-2.0	-101.11	315.33	3.85	-97.26
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1F	REAL300019638051	1	30	-2.0	-101.07	315.36	3.85	-97.22
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300019638052	0	30	-2.0	-105.26	310.40	4.23	-101.03
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300019638052	1	30	-2.0	-105.25	310.44	4.23	-101.02
O=[N+]([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638053	0	32	-2.0	-101.82	325.49	4.33	-97.49
O=[N+]([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638053	1	32	-2.0	-101.79	325.53	4.33	-97.46
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638054	0	35	-2.0	-98.43	340.98	5.10	-93.33
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638054	1	35	-2.0	-98.46	341.01	5.10	-93.36
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CS1	REAL300019638055	0	27	-2.0	-103.12	289.20	2.67	-100.45
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CS1	REAL300019638055	1	27	-2.0	-103.08	289.23	2.67	-100.41
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638056	0	34	-2.0	-103.35	326.77	2.96	-100.39
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638057	0	32	-2.0	-115.58	318.37	5.07	-110.51
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638057	1	32	-2.0	-115.57	318.39	5.07	-110.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638058	0	33	-2.0	-105.76	318.69	4.34	-101.42
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638059	0	37	-2.0	-103.11	348.62	3.89	-99.22
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300019638060	0	30	-2.0	-101.43	309.18	3.79	-97.64
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300019638060	1	30	-2.0	-101.39	309.21	3.80	-97.59
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300019638061	0	30	-2.0	-101.79	303.68	3.72	-98.07
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300019638061	1	30	-2.0	-101.73	303.71	3.72	-98.01
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL300019638062	0	30	-2.0	-95.90	310.10	3.79	-92.11
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL300019638062	1	30	-2.0	-95.89	310.13	3.79	-92.10
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1C	REAL300019638063	0	42	-2.0	-106.21	360.78	6.36	-99.85
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1C	REAL300019638063	1	42	-2.0	-106.12	360.82	6.36	-99.76
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL300019638064	0	36	-2.0	-106.40	341.76	2.82	-103.58
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C)=C1	REAL300019638065	1	39	-2.0	-105.15	348.81	6.00	-99.15
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300019638066	0	30	-2.0	-98.61	314.01	4.18	-94.43
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300019638066	1	30	-2.0	-98.55	314.04	4.19	-94.36
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638067	0	32	-2.0	-93.25	325.50	4.34	-88.91
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638067	1	32	-2.0	-93.24	325.54	4.34	-88.90
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019638068	0	30	-2.0	-105.22	297.27	3.66	-101.56
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019638068	1	30	-2.0	-105.22	297.30	3.67	-101.55
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638069	0	37	-2.0	-110.32	353.64	2.56	-107.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019638070	0	30	-2.0	-104.57	311.10	3.46	-101.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019638070	1	30	-2.0	-104.55	311.13	3.47	-101.08
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638071	0	32	-3.0	-176.08	331.20	4.29	-171.79
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638071	1	32	-3.0	-176.01	331.24	4.29	-171.72
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638072	0	35	-2.0	-101.91	335.51	4.92	-96.99
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638072	1	35	-2.0	-101.93	335.55	4.92	-97.01
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1F	REAL300019638073	0	30	-2.0	-103.80	309.17	3.80	-100.00
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1F	REAL300019638073	1	30	-2.0	-103.77	309.20	3.80	-99.97
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C2N1	REAL300019638074	0	34	-2.0	-100.05	333.03	0.48	-99.57
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C2N1	REAL300019638074	1	34	-2.0	-99.94	333.06	0.48	-99.46
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638075	0	34	-2.0	-103.37	337.48	4.69	-98.68
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638075	1	34	-2.0	-103.32	337.51	4.69	-98.63
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC=C2N1	REAL300019638076	0	35	-2.0	-101.16	339.31	2.11	-99.05
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CC=C2N1	REAL300019638076	1	35	-2.0	-101.09	339.35	2.11	-98.98
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638077	0	29	-3.0	-175.71	318.93	3.24	-172.47
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638077	1	29	-3.0	-175.63	318.96	3.24	-172.39
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C2O1	REAL300019638078	0	33	-2.0	-99.61	329.02	1.17	-98.44
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C2O1	REAL300019638078	1	33	-2.0	-99.64	329.06	1.17	-98.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638079	0	35	-3.0	-177.43	341.17	5.00	-172.43
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638079	1	36	-2.0	-86.59	337.34	5.26	-81.33
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638079	1	36	-2.0	-86.48	337.32	5.27	-81.21
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638080	0	36	-2.0	-104.00	334.88	2.74	-101.26
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638080	1	36	-2.0	-103.95	334.92	2.74	-101.21
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638081	0	36	-2.0	-100.32	352.05	4.33	-95.99
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638081	1	36	-2.0	-100.23	352.08	4.33	-95.90
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638082	0	37	-2.0	-104.49	353.72	1.94	-102.55
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638082	1	37	-2.0	-104.43	353.75	1.95	-102.48
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638083	0	34	-2.0	-104.18	331.79	0.45	-103.73
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638083	1	34	-2.0	-104.15	331.82	0.45	-103.70
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638084	0	36	-2.0	-105.19	340.17	5.11	-100.08
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638084	1	36	-2.0	-105.13	340.21	5.11	-100.02
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300019638085	0	36	-2.0	-109.11	343.22	5.94	-103.17
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300019638085	1	36	-2.0	-109.08	343.25	5.95	-103.13
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=CS1	REAL300019638086	0	33	-2.0	-112.98	336.86	3.96	-109.02
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=CS1	REAL300019638086	1	33	-2.0	-112.95	336.89	3.96	-108.99
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638087	0	40	-2.0	-104.25	373.84	4.18	-100.07
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638087	1	40	-2.0	-104.16	373.88	4.18	-99.98
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638088	0	42	-2.0	-105.09	378.44	6.35	-98.74
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638088	1	42	-2.0	-105.08	378.47	6.35	-98.73
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300019638089	0	30	-2.0	-97.78	303.69	3.73	-94.05
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC=C1F	REAL300019638090	0	30	-2.0	-109.84	302.77	3.73	-106.11
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC=C1F	REAL300019638090	1	30	-2.0	-109.81	302.81	3.73	-106.08
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638091	0	40	-2.0	-102.70	370.12	4.69	-98.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300019638092	0	33	-2.0	-105.49	331.82	4.90	-100.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300019638092	1	33	-2.0	-105.48	331.85	4.90	-100.58
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638093	0	33	-2.0	-96.91	319.16	4.49	-92.42
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1Cl	REAL300019638094	0	30	-2.0	-97.55	316.80	4.30	-93.25
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1Cl	REAL300019638094	1	30	-2.0	-97.48	316.83	4.30	-93.18
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300019638096	0	33	-3.0	-180.40	332.38	3.58	-176.82
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300019638096	1	33	-3.0	-180.37	332.42	3.58	-176.79
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1Cl	REAL300019638097	0	30	-2.0	-111.88	314.74	3.23	-108.65
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1Cl	REAL300019638097	1	30	-2.0	-111.83	314.77	3.23	-108.60
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C(N)=O	REAL300019638098	0	35	-2.0	-102.90	339.47	-0.19	-103.09
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1C(N)=O	REAL300019638098	1	35	-2.0	-102.85	339.50	-0.19	-103.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1F	REAL300019638099	0	34	-2.0	-101.52	332.98	3.03	-98.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1F	REAL300019638099	1	34	-2.0	-101.54	333.02	3.04	-98.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C	REAL300019638100	0	37	-2.0	-104.57	346.85	3.70	-100.87
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C	REAL300019638101	0	40	-2.0	-104.32	368.71	4.62	-99.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C(N)=O	REAL300019638102	0	37	-2.0	-99.87	347.86	1.12	-98.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1C(N)=O	REAL300019638102	1	37	-2.0	-99.85	347.89	1.12	-98.73
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638103	0	30	-2.0	-102.12	301.82	1.37	-100.75
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638103	1	30	-2.0	-102.10	301.85	1.37	-100.73
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638104	0	35	-2.0	-92.42	340.98	5.10	-87.32
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638104	1	35	-2.0	-92.41	341.02	5.10	-87.31
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CN1C	REAL300019638105	0	38	-2.0	-103.60	361.15	1.32	-102.28
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CN1C	REAL300019638105	1	38	-2.0	-103.58	361.19	1.32	-102.26
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638106	0	33	-2.0	-99.94	329.49	4.95	-94.99
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638106	1	33	-2.0	-99.90	329.52	4.95	-94.95
O=S(=O)(CCOC1=CC=C(F)C=C1)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638107	0	37	-2.0	-97.27	356.78	4.06	-93.21
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C	REAL300019638108	0	40	-2.0	-103.53	368.58	4.47	-99.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638109	0	32	-3.0	-171.45	334.87	3.91	-167.54
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638109	1	32	-3.0	-171.42	334.90	3.91	-167.51
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1Cl	REAL300019638110	0	31	-2.0	-93.86	333.48	4.47	-89.39
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1Cl	REAL300019638110	1	31	-2.0	-93.84	333.51	4.47	-89.37
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300019638111	0	31	-2.0	-94.47	333.50	4.47	-90.00
N#CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300019638111	1	31	-2.0	-94.46	333.53	4.47	-89.99
O=C1OCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C12	REAL300019638112	0	34	-2.0	-109.42	335.63	4.03	-105.39
O=C1OCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C12	REAL300019638112	1	34	-2.0	-109.40	335.66	4.04	-105.36
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1Cl	REAL300019638113	0	33	-2.0	-102.65	332.73	4.76	-97.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1Cl	REAL300019638113	1	33	-2.0	-102.60	332.77	4.76	-97.84
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1F	REAL300019638114	0	30	-2.0	-107.24	318.94	4.23	-103.01
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1F	REAL300019638114	1	30	-2.0	-107.21	318.97	4.23	-102.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1F	REAL300019638115	0	33	-2.0	-102.56	323.99	4.36	-98.20
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1F	REAL300019638115	1	33	-2.0	-102.58	324.02	4.36	-98.22
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638116	0	33	-2.0	-97.67	329.49	4.94	-92.73
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638116	1	33	-2.0	-97.69	329.52	4.94	-92.75
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638117	0	33	-2.0	-110.28	324.17	4.39	-105.89
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638117	1	33	-2.0	-110.28	324.21	4.40	-105.88
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638118	0	33	-2.0	-99.88	319.16	4.49	-95.39
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638118	1	33	-2.0	-99.82	319.20	4.49	-95.33
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638119	0	35	-2.0	-117.17	330.90	5.90	-111.27
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638119	1	35	-2.0	-117.16	330.93	5.90	-111.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CS1	REAL300019638120	0	29	-3.0	-177.24	317.38	3.27	-173.97
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CS1	REAL300019638120	1	29	-3.0	-177.19	317.42	3.27	-173.92
O=[N+]([O-])C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638121	0	32	-2.0	-108.05	322.21	5.12	-102.93
O=[N+]([O-])C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638121	1	32	-2.0	-107.98	322.24	5.12	-102.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C)=C1	REAL300019638122	1	37	-2.0	-102.76	342.23	3.73	-99.03
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C	REAL300019638123	1	40	-2.0	-103.35	361.88	4.49	-98.86
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638124	0	34	-2.0	-109.19	328.38	2.03	-107.16
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638124	1	34	-2.0	-109.15	328.41	2.03	-107.12
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNN=C1	REAL300019638125	0	27	-2.0	-99.09	278.86	0.06	-99.03
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNN=C1	REAL300019638125	1	27	-2.0	-99.08	278.89	0.06	-99.02
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019638126	0	33	-2.0	-98.58	345.15	3.43	-95.15
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019638126	1	33	-2.0	-98.58	345.18	3.43	-95.15
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638127	0	34	-2.0	-97.51	335.08	4.04	-93.47
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638127	1	34	-2.0	-97.46	335.11	4.04	-93.42
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(F)C=C(F)C=C1F	REAL300019638128	0	30	-2.0	-102.00	312.18	4.00	-98.00
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(F)C=C(F)C=C1F	REAL300019638128	1	30	-2.0	-102.02	312.21	4.01	-98.01
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL300019638129	0	32	-3.0	-171.29	328.74	3.36	-167.93
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL300019638129	1	32	-3.0	-171.23	328.77	3.36	-167.87
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C2NC=CC=C12	REAL300019638130	0	33	-2.0	-124.85	325.47	2.86	-121.99
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C2NC=CC=C12	REAL300019638130	1	33	-2.0	-124.85	325.50	2.86	-121.99
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638131	0	40	-2.0	-113.05	368.80	5.04	-108.01
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638131	1	40	-2.0	-113.04	368.83	5.05	-107.99
O=[N+]([O-])C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638132	0	32	-2.0	-118.95	323.29	5.27	-113.68
O=[N+]([O-])C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638132	1	32	-2.0	-118.92	323.32	5.28	-113.64
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CC(F)=C1	REAL300019638133	0	29	-2.0	-96.23	298.69	1.94	-94.29
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CC(F)=C1	REAL300019638133	1	29	-2.0	-96.20	298.73	1.94	-94.26
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638134	0	33	-2.0	-103.85	345.32	3.32	-100.53
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638134	1	33	-2.0	-103.88	345.35	3.32	-100.56
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=NC=CC=C12	REAL300019638135	0	35	-2.0	-106.04	333.43	4.08	-101.96
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=NC=CC=C12	REAL300019638135	1	35	-2.0	-106.06	333.47	4.09	-101.97
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638136	0	30	-2.0	-112.86	301.29	2.76	-110.10
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638136	1	30	-2.0	-112.77	301.32	2.76	-110.01
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C)=C1	REAL300019638137	1	40	-2.0	-102.59	364.09	4.65	-97.94
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C12	REAL300019638138	0	34	-2.0	-96.27	337.03	0.64	-95.63
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C12	REAL300019638138	1	34	-2.0	-96.24	337.06	0.65	-95.59
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1F	REAL300019638139	0	30	-2.0	-108.61	309.05	3.79	-104.82
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1F	REAL300019638139	1	30	-2.0	-108.62	309.08	3.79	-104.83
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCCO2	REAL300019638140	0	36	-2.0	-110.61	340.41	3.30	-107.31
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCCO2	REAL300019638140	1	36	-2.0	-110.60	340.44	3.30	-107.30
CC1=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CN1C	REAL300019638141	0	33	-2.0	-117.49	321.82	2.57	-114.92
CC1=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CN1C	REAL300019638141	1	33	-2.0	-117.49	321.85	2.57	-114.92
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638142	0	33	-2.0	-102.48	323.35	2.22	-100.26
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638142	1	33	-2.0	-102.49	323.39	2.22	-100.27
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638143	0	37	-2.0	-106.76	352.34	3.38	-103.38
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638143	1	37	-2.0	-106.72	352.37	3.38	-103.34
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2COCC2=C1	REAL300019638144	0	35	-2.0	-104.47	333.25	2.95	-101.52
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2COCC2=C1	REAL300019638144	1	35	-2.0	-104.42	333.28	2.96	-101.46
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1Cl	REAL300019638145	0	30	-2.0	-99.77	316.81	4.30	-95.47
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1Cl	REAL300019638145	1	30	-2.0	-99.77	316.84	4.30	-95.47
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC=C2O1	REAL300019638146	0	38	-2.0	-104.78	354.18	4.27	-100.51
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638147	0	30	-2.0	-100.33	299.53	0.64	-99.69
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638147	1	30	-2.0	-100.29	299.56	0.64	-99.65
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638148	0	34	-2.0	-107.54	326.77	2.95	-104.59
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638148	1	34	-2.0	-107.51	326.80	2.95	-104.56
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638149	0	33	-2.0	-104.08	312.35	4.46	-99.62
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638149	1	33	-2.0	-104.04	312.38	4.46	-99.58
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N1	REAL300019638150	0	30	-2.0	-111.33	302.12	1.20	-110.13
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N1	REAL300019638150	1	30	-2.0	-111.30	302.15	1.20	-110.10
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638151	0	30	-2.0	-97.88	296.48	1.34	-96.54
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638151	1	30	-2.0	-97.87	296.52	1.34	-96.53
COCCS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638152	0	30	-2.0	-98.36	294.16	0.46	-97.90
O=S(=O)(CC1CCCO1)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638153	0	34	-2.0	-105.07	316.62	1.86	-103.21
O=S(=O)(CC1CCCCO1)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638154	0	37	-2.0	-104.21	334.12	2.94	-101.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(F)=C1	REAL300019638155	0	33	-2.0	-109.95	324.19	4.40	-105.55
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(F)=C1	REAL300019638155	1	33	-2.0	-109.91	324.22	4.40	-105.51
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1F	REAL300019638156	0	33	-2.0	-98.77	324.00	4.35	-94.42
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNC=N1	REAL300019638157	0	27	-2.0	-113.21	278.74	1.04	-112.17
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNC=N1	REAL300019638157	1	27	-2.0	-113.16	278.77	1.04	-112.12
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019638158	0	33	-2.0	-100.19	336.82	2.45	-97.74
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019638158	1	33	-2.0	-100.16	336.85	2.45	-97.71
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=CC=CN=C21	REAL300019638159	0	35	-2.0	-120.15	337.21	4.29	-115.86
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=CC=CN=C21	REAL300019638159	1	35	-2.0	-120.17	337.24	4.30	-115.87
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL300019638160	0	32	-3.0	-173.82	335.43	4.10	-169.72
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL300019638160	1	32	-3.0	-173.77	335.46	4.10	-169.67
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CN=C1Cl	REAL300019638161	0	32	-2.0	-97.16	327.94	2.88	-94.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CN=C1Cl	REAL300019638161	1	32	-2.0	-97.09	327.97	2.88	-94.21
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C)=C1C	REAL300019638162	1	40	-2.0	-103.97	357.91	4.34	-99.63
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638164	0	42	-2.0	-104.96	375.37	4.31	-100.65
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638164	1	42	-2.0	-104.96	375.40	4.31	-100.65
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)SC=C1	REAL300019638165	0	30	-2.0	-104.19	305.50	3.49	-100.70
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)SC=C1	REAL300019638165	1	30	-2.0	-104.18	305.53	3.49	-100.69
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1C	REAL300019638166	0	39	-2.0	-104.27	356.71	3.61	-100.66
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1C	REAL300019638166	1	39	-2.0	-104.22	356.74	3.61	-100.61
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300019638167	0	35	-2.0	-94.12	341.49	4.84	-89.28
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300019638167	1	35	-2.0	-94.11	341.52	4.84	-89.27
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638168	0	34	-2.0	-98.59	333.54	4.83	-93.76
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638168	1	34	-2.0	-98.53	333.58	4.83	-93.70
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638169	0	34	-2.0	-95.84	333.52	4.81	-91.03
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638169	1	34	-2.0	-95.76	333.55	4.81	-90.95
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(F)=C1	REAL300019638170	0	31	-2.0	-100.45	323.57	4.12	-96.33
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(F)=C1	REAL300019638170	1	31	-2.0	-100.46	323.60	4.12	-96.34
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C2O1	REAL300019638171	0	35	-2.0	-104.08	340.92	1.32	-102.76
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C2O1	REAL300019638171	1	35	-2.0	-104.08	340.96	1.33	-102.75
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638172	0	36	-2.0	-103.17	342.03	2.75	-100.42
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638172	1	36	-2.0	-103.13	342.07	2.75	-100.38
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CC=CN=C2C=C1	REAL300019638173	0	35	-2.0	-106.74	338.24	4.04	-102.70
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=CC=CN=C2C=C1	REAL300019638173	1	35	-2.0	-106.76	338.28	4.04	-102.72
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638174	0	36	-2.0	-106.75	356.65	2.43	-104.32
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638174	1	36	-2.0	-106.68	356.68	2.43	-104.25
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CN1	REAL300019638175	0	36	-2.0	-115.42	341.24	2.09	-113.33
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CN1	REAL300019638175	1	36	-2.0	-115.32	341.27	2.10	-113.22
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C(F)=C1	REAL300019638177	0	30	-2.0	-90.13	316.27	3.85	-86.28
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C(F)=C1	REAL300019638177	1	30	-2.0	-90.16	316.30	3.85	-86.31
CC(C)OCCS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638178	0	36	-2.0	-99.23	336.29	2.17	-97.06
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CN1C	REAL300019638179	0	37	-2.0	-108.12	358.44	3.77	-104.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CN1C	REAL300019638179	1	37	-2.0	-108.12	358.47	3.77	-104.35
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1F	REAL300019638180	0	32	-3.0	-166.74	330.27	4.26	-162.48
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1F	REAL300019638180	1	33	-2.0	-91.75	328.38	4.35	-87.40
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1F	REAL300019638180	1	32	-3.0	-166.69	330.30	4.27	-162.42
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC(C)=C1F	REAL300019638181	0	36	-2.0	-99.80	344.31	5.01	-94.79
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC(C)=C1F	REAL300019638181	1	36	-2.0	-99.78	344.35	5.01	-94.77
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019638182	0	29	-3.0	-169.77	317.99	3.35	-166.42
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019638182	1	29	-3.0	-169.74	318.02	3.35	-166.39
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638183	0	39	-2.0	-115.02	362.01	4.62	-110.40
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638183	1	39	-2.0	-115.00	362.05	4.62	-110.38
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638184	0	32	-3.0	-172.61	332.15	4.28	-168.33
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638184	1	32	-3.0	-172.51	332.18	4.29	-168.22
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638184	1	33	-2.0	-84.59	330.24	4.38	-80.21
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CN1	REAL300019638185	0	34	-2.0	-105.10	340.67	2.01	-103.09
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CN1	REAL300019638185	1	34	-2.0	-105.10	340.71	2.01	-103.09
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(F)=C1	REAL300019638186	0	32	-3.0	-168.47	331.20	4.29	-164.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(F)=C1	REAL300019638186	1	32	-3.0	-168.47	331.23	4.30	-164.17
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638187	0	33	-2.0	-101.55	317.65	4.48	-97.07
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638187	1	33	-2.0	-101.50	317.69	4.48	-97.02
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CS1	REAL300019638188	0	33	-2.0	-103.83	344.56	3.34	-100.49
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CS1	REAL300019638188	1	33	-2.0	-103.80	344.59	3.34	-100.46
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019638189	0	32	-2.0	-102.52	322.52	2.24	-100.28
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019638189	1	32	-2.0	-102.52	322.56	2.24	-100.28
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638190	0	34	-2.0	-108.11	339.53	4.84	-103.27
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638190	1	34	-2.0	-108.06	339.56	4.84	-103.22
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638191	0	36	-2.0	-106.58	340.16	5.09	-101.49
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638191	1	36	-2.0	-106.52	340.20	5.09	-101.43
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638192	0	33	-2.0	-102.27	325.10	4.39	-97.88
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638192	1	33	-2.0	-102.21	325.13	4.39	-97.82
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638193	0	36	-2.0	-101.70	355.17	3.11	-98.59
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638193	1	36	-2.0	-101.68	355.20	3.11	-98.57
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C(F)C=C1F	REAL300019638194	0	33	-2.0	-101.96	329.48	4.43	-97.53
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C(F)C=C1F	REAL300019638194	1	33	-2.0	-101.99	329.52	4.43	-97.56
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL300019638195	0	36	-2.0	-112.87	338.32	5.97	-106.90
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL300019638195	1	36	-2.0	-112.82	338.35	5.98	-106.84
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C2C=CSC2=C1	REAL300019638196	0	32	-2.0	-103.89	329.26	3.14	-100.75
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C2C=CSC2=C1	REAL300019638196	1	32	-2.0	-103.86	329.29	3.14	-100.72
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638197	0	33	-3.0	-174.05	335.45	1.94	-172.11
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638197	1	33	-3.0	-173.98	335.48	1.94	-172.04
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=C1CCCC2	REAL300019638198	0	40	-2.0	-108.31	352.59	6.28	-102.03
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=C1CCCC2	REAL300019638198	1	40	-2.0	-108.30	352.63	6.28	-102.02
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638199	0	35	-3.0	-168.15	347.91	5.01	-163.14
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638199	1	36	-2.0	-90.30	346.06	5.10	-85.20
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638199	1	35	-3.0	-168.08	347.94	5.01	-163.07
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019638200	0	36	-2.0	-100.54	358.68	3.38	-97.16
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019638200	1	36	-2.0	-100.53	358.71	3.38	-97.15
O=[N+]([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638201	0	32	-2.0	-94.13	331.91	4.39	-89.74
O=[N+]([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638201	1	32	-2.0	-94.07	331.94	4.40	-89.67
COC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)SC=C1	REAL300019638202	0	31	-2.0	-110.86	319.44	1.94	-108.92
COC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)SC=C1	REAL300019638202	1	31	-2.0	-110.81	319.47	1.94	-108.87
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL300019638203	0	33	-2.0	-109.28	327.03	4.06	-105.22
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL300019638203	1	33	-2.0	-109.32	327.06	4.06	-105.26
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638204	0	30	-2.0	-95.66	312.25	2.61	-93.05
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638204	1	30	-2.0	-95.69	312.28	2.61	-93.08
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)N=C1Cl	REAL300019638205	0	30	-2.0	-112.33	317.62	2.48	-109.85
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)N=C1Cl	REAL300019638205	1	30	-2.0	-112.33	317.65	2.48	-109.85
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638206	0	38	-2.0	-109.11	356.25	2.26	-106.85
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638206	1	38	-2.0	-109.10	356.29	2.27	-106.83
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=NON=C21	REAL300019638207	0	31	-2.0	-110.66	313.12	2.40	-108.26
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=NON=C21	REAL300019638207	1	31	-2.0	-110.63	313.15	2.40	-108.23
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638208	0	31	-2.0	-95.40	319.49	1.49	-93.91
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638208	1	31	-2.0	-95.39	319.53	1.49	-93.90
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019638209	0	29	-2.0	-101.66	305.80	1.48	-100.18
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019638209	1	29	-2.0	-101.65	305.83	1.49	-100.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638210	0	35	-3.0	-183.63	335.77	4.86	-178.77
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638210	1	36	-2.0	-109.14	332.32	5.10	-104.04
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638210	1	36	-2.0	-109.15	332.34	5.10	-104.05
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638210	1	35	-3.0	-183.56	335.81	4.85	-178.71
COCCOCCS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638211	0	37	-2.0	-101.90	349.64	0.68	-101.22
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638212	0	35	-3.0	-167.14	341.15	4.98	-162.16
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638212	1	36	-2.0	-90.97	338.06	5.23	-85.74
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638212	1	36	-2.0	-91.04	338.00	5.23	-85.81
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1F	REAL300019638213	0	33	-2.0	-104.07	329.49	4.44	-99.63
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1F	REAL300019638213	1	33	-2.0	-104.05	329.52	4.44	-99.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1CC	REAL300019638214	0	42	-2.0	-107.77	374.42	6.23	-101.54
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1CC	REAL300019638214	1	42	-2.0	-107.73	374.45	6.23	-101.50
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638215	0	36	-2.0	-112.74	342.71	4.04	-108.70
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638215	1	36	-2.0	-112.71	342.75	4.04	-108.67
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638216	0	35	-2.0	-96.96	348.01	2.49	-94.47
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638216	1	35	-2.0	-96.92	348.05	2.49	-94.43
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638217	0	38	-2.0	-115.06	360.36	4.92	-110.14
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638217	1	38	-2.0	-115.01	360.40	4.93	-110.08
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638218	0	37	-2.0	-100.93	357.03	1.27	-99.66
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638218	1	37	-2.0	-100.84	357.06	1.27	-99.57
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C([N+](=O)[O-])=N1	REAL300019638219	0	35	-2.0	-111.46	347.59	4.49	-106.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C([N+](=O)[O-])=N1	REAL300019638219	1	35	-2.0	-111.53	347.62	4.49	-107.04
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019638221	0	39	-2.0	-105.67	370.26	5.31	-100.36
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019638221	1	39	-2.0	-105.64	370.30	5.31	-100.33
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638222	0	36	-2.0	-115.22	344.76	4.40	-110.82
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638222	1	36	-2.0	-115.18	344.80	4.41	-110.77
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN(C2CCOC2)N=C1	REAL300019638223	0	38	-2.0	-100.97	355.33	1.42	-99.55
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN(C2CCOC2)N=C1	REAL300019638223	1	38	-2.0	-100.93	355.36	1.42	-99.51
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1F	REAL300019638224	0	33	-2.0	-111.16	323.09	4.38	-106.78
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1F	REAL300019638224	1	33	-2.0	-111.18	323.12	4.38	-106.80
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638225	0	36	-2.0	-99.00	346.32	1.27	-97.73
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638225	1	36	-2.0	-98.97	346.35	1.28	-97.69
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN2CCCCC2=N1	REAL300019638226	0	37	-2.0	-119.11	343.22	3.69	-115.42
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN2CCCCC2=N1	REAL300019638226	1	37	-2.0	-119.09	343.25	3.69	-115.40
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638227	0	37	-2.0	-106.69	352.35	3.40	-103.29
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638227	1	37	-2.0	-106.72	352.38	3.40	-103.32
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638228	0	35	-2.0	-104.89	336.54	0.65	-104.24
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638228	1	35	-2.0	-104.82	336.58	0.65	-104.17
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1Cl	REAL300019638229	0	33	-2.0	-106.44	329.14	4.80	-101.64
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1Cl	REAL300019638229	1	33	-2.0	-106.42	329.17	4.81	-101.61
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C(C)O1	REAL300019638231	0	33	-2.0	-102.51	320.22	3.24	-99.27
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C(C)O1	REAL300019638231	1	33	-2.0	-102.46	320.26	3.24	-99.22
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2OCCCC2=C1	REAL300019638232	0	38	-2.0	-106.18	350.98	4.28	-101.90
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638233	0	37	-2.0	-104.22	343.89	3.68	-100.54
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638233	1	37	-2.0	-104.15	343.92	3.68	-100.47
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638234	0	40	-2.0	-103.30	366.54	4.51	-98.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019638235	0	30	-2.0	-105.51	301.87	2.48	-103.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019638235	1	30	-2.0	-105.47	301.90	2.49	-102.98
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638236	0	33	-2.0	-105.99	329.48	4.02	-101.97
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638236	1	33	-2.0	-105.87	329.52	4.02	-101.85
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300019638237	0	33	-2.0	-102.59	323.33	2.31	-100.28
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300019638237	1	33	-2.0	-102.58	323.36	2.33	-100.25
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1F	REAL300019638238	0	32	-2.0	-91.52	330.03	4.35	-87.17
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1F	REAL300019638238	1	32	-2.0	-91.52	330.06	4.35	-87.17
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(F)=CC(Cl)=C1	REAL300019638239	0	30	-2.0	-96.29	320.43	4.24	-92.05
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(F)=CC(Cl)=C1	REAL300019638239	1	30	-2.0	-96.28	320.46	4.24	-92.04
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C(C)O1	REAL300019638240	0	36	-2.0	-98.02	355.11	3.22	-94.80
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C(C)O1	REAL300019638240	1	36	-2.0	-97.87	355.14	3.22	-94.65
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CC(Cl)=C1	REAL300019638241	0	29	-2.0	-96.47	309.04	2.36	-94.11
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CC(Cl)=C1	REAL300019638241	1	29	-2.0	-96.46	309.07	2.36	-94.10
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)N=C1C	REAL300019638242	0	36	-2.0	-117.68	343.05	3.45	-114.23
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)N=C1C	REAL300019638242	1	36	-2.0	-117.61	343.08	3.45	-114.16
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638243	0	33	-2.0	-105.85	331.82	4.89	-100.96
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638243	1	33	-2.0	-105.87	331.85	4.90	-100.97
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300019638244	0	36	-3.0	-182.22	353.75	4.43	-177.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300019638244	1	36	-3.0	-182.14	353.78	4.44	-177.70
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638245	0	33	-2.0	-104.23	337.16	2.40	-101.83
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638245	1	33	-2.0	-104.20	337.19	2.40	-101.80
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638246	0	42	-2.0	-105.36	375.58	4.25	-101.11
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638246	1	42	-2.0	-105.34	375.61	4.25	-101.09
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(F)C=CC=C1Cl	REAL300019638247	0	30	-2.0	-108.58	313.33	4.45	-104.13
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(F)C=CC=C1Cl	REAL300019638247	1	30	-2.0	-108.54	313.36	4.45	-104.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(Cl)=N1	REAL300019638248	0	32	-2.0	-104.79	327.16	2.98	-101.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(Cl)=N1	REAL300019638248	1	32	-2.0	-104.76	327.20	2.98	-101.78
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638249	0	35	-2.0	-101.84	346.31	3.85	-97.99
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638249	1	35	-2.0	-101.84	346.35	3.85	-97.99
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019638250	0	32	-2.0	-101.40	327.28	2.23	-99.17
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019638250	1	32	-2.0	-101.41	327.32	2.25	-99.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C)=C1F	REAL300019638251	0	37	-2.0	-101.74	347.36	3.77	-97.97
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300019638252	0	31	-2.0	-96.61	331.16	4.62	-91.99
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300019638252	1	31	-2.0	-96.51	331.19	4.62	-91.89
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2OC=CC2=CC=C1	REAL300019638253	0	33	-2.0	-113.96	325.20	3.98	-109.98
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2OC=CC2=CC=C1	REAL300019638253	1	33	-2.0	-113.99	325.24	3.98	-110.01
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638254	0	35	-2.0	-101.77	347.25	2.52	-99.25
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638254	1	35	-2.0	-101.69	347.28	2.52	-99.17
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638255	1	38	-2.0	-107.80	348.76	4.07	-103.73
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638256	0	30	-2.0	-98.58	326.26	3.89	-94.69
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638256	1	30	-2.0	-98.56	326.30	3.89	-94.67
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(C(F)F)=C1	REAL300019638257	0	33	-2.0	-105.82	329.45	4.52	-101.30
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(C(F)F)=C1	REAL300019638257	1	33	-2.0	-105.74	329.49	4.53	-101.21
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN(CC(F)F)N=C1	REAL300019638258	0	33	-2.0	-100.53	335.20	2.55	-97.98
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN(CC(F)F)N=C1	REAL300019638258	1	33	-2.0	-100.49	335.23	2.55	-97.94
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638259	0	34	-2.0	-109.38	333.36	4.72	-104.66
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638259	1	34	-2.0	-109.35	333.39	4.73	-104.62
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1F	REAL300019638260	0	34	-2.0	-98.20	332.99	3.03	-95.17
COC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1F	REAL300019638260	1	34	-2.0	-98.14	333.02	3.04	-95.10
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CO1	REAL300019638261	0	27	-2.0	-103.87	279.96	1.66	-102.21
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CO1	REAL300019638261	1	27	-2.0	-103.89	279.99	1.66	-102.23
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638262	0	29	-2.0	-93.27	290.70	0.12	-93.15
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638262	1	29	-2.0	-93.33	290.74	0.12	-93.21
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CN=C21	REAL300019638263	0	35	-2.0	-100.55	341.62	2.78	-97.77
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CN=C21	REAL300019638263	1	35	-2.0	-100.52	341.66	2.78	-97.74
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CS1	REAL300019638264	0	29	-2.0	-95.25	318.44	3.43	-91.82
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CS1	REAL300019638264	1	29	-2.0	-95.21	318.47	3.43	-91.78
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C2CCCN12	REAL300019638265	0	34	-2.0	-111.18	325.41	3.10	-108.08
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C2CCCN12	REAL300019638265	1	34	-2.0	-111.19	325.44	3.10	-108.09
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638266	0	31	-2.0	-98.81	331.19	4.62	-94.19
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638266	1	31	-2.0	-98.78	331.22	4.62	-94.16
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638267	0	36	-2.0	-100.77	322.72	5.49	-95.28
O=S(=O)(CCCCCl)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638268	1	32	-2.0	-98.24	320.63	3.58	-94.66
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNC2=CC=CC(F)=C12	REAL300019638269	0	34	-2.0	-118.34	335.67	3.73	-114.61
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNC2=CC=CC(F)=C12	REAL300019638269	1	34	-2.0	-118.30	335.71	3.74	-114.56
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=NSN=C21	REAL300019638270	0	31	-2.0	-111.20	322.05	1.96	-109.24
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=NSN=C21	REAL300019638270	1	31	-2.0	-111.14	322.08	1.96	-109.18
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638271	0	33	-2.0	-102.47	321.87	1.13	-101.34
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638271	1	33	-2.0	-102.44	321.90	1.13	-101.31
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)OCO2	REAL300019638272	0	36	-2.0	-100.82	338.77	3.09	-97.73
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019638273	0	33	-2.0	-109.29	341.93	1.16	-108.13
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019638273	1	33	-2.0	-109.27	341.96	1.16	-108.11
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638274	0	34	-2.0	-109.78	320.61	5.52	-104.26
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638274	1	34	-2.0	-109.70	320.67	5.52	-104.18
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638275	0	34	-2.0	-107.48	339.52	4.82	-102.66
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638275	1	34	-2.0	-107.47	339.55	4.82	-102.65
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638276	1	36	-2.0	-97.48	333.79	5.41	-92.07
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(N)=NO1	REAL300019638277	0	31	-2.0	-96.27	304.81	1.04	-95.23
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(N)=NO1	REAL300019638277	1	31	-2.0	-96.26	304.84	1.04	-95.22
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNC(C(F)(F)F)=C1	REAL300019638278	0	31	-2.0	-99.73	324.77	2.43	-97.30
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNC(C(F)(F)F)=C1	REAL300019638278	1	31	-2.0	-99.69	324.80	2.44	-97.25
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638279	0	37	-2.0	-105.77	342.24	3.72	-102.05
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638279	1	37	-2.0	-105.73	342.27	3.73	-102.00
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CCCCC1	REAL300019638280	1	34	-2.0	-103.59	312.63	3.95	-99.64
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019638281	0	28	-2.0	-94.89	309.78	3.22	-91.67
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019638281	1	28	-2.0	-94.88	309.81	3.22	-91.66
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638282	0	32	-2.0	-102.76	313.88	2.48	-100.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638282	1	32	-2.0	-102.68	313.91	2.48	-100.20
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2N=C1	REAL300019638283	0	35	-2.0	-106.45	338.47	4.03	-102.42
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2N=C1	REAL300019638283	1	35	-2.0	-106.35	338.50	4.04	-102.31
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1C#N	REAL300019638284	0	34	-2.0	-96.78	337.25	4.56	-92.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1C#N	REAL300019638284	1	34	-2.0	-96.74	337.29	4.56	-92.18
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C(Cl)C(F)=C1	REAL300019638285	0	29	-2.0	-91.19	315.02	2.34	-88.85
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C(Cl)C(F)=C1	REAL300019638285	1	29	-2.0	-91.16	315.05	2.34	-88.82
COC(C)CS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638286	0	33	-2.0	-102.19	313.27	1.41	-100.78
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(F)=C1	REAL300019638287	0	34	-2.0	-107.76	332.26	3.03	-104.73
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(F)=C1	REAL300019638287	1	34	-2.0	-107.74	332.29	3.03	-104.71
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2OC1	REAL300019638288	0	36	-2.0	-104.96	342.97	4.18	-100.78
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)C=C1	REAL300019638289	0	33	-2.0	-103.29	329.46	4.53	-98.76
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)C=C1	REAL300019638289	1	33	-2.0	-103.29	329.50	4.54	-98.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)N(C)N=C1	REAL300019638291	0	33	-2.0	-98.87	314.14	2.12	-96.75
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)N(C)N=C1	REAL300019638291	1	33	-2.0	-98.87	314.17	2.13	-96.74
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019638292	0	28	-2.0	-96.71	301.20	2.20	-94.51
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019638292	1	28	-2.0	-96.69	301.23	2.20	-94.49
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CSC=C1	REAL300019638293	0	27	-2.0	-100.95	288.38	2.57	-98.38
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CSC=C1	REAL300019638293	1	27	-2.0	-100.97	288.42	2.57	-98.40
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=COC=C1	REAL300019638294	0	27	-2.0	-101.68	279.81	1.54	-100.14
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=COC=C1	REAL300019638294	1	27	-2.0	-101.67	279.84	1.55	-100.12
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300019638295	0	35	-3.0	-168.21	341.74	4.77	-163.44
CC1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300019638295	1	36	-2.0	-94.67	343.86	4.96	-89.71
CC1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300019638295	1	36	-2.0	-94.61	343.88	4.96	-89.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638296	0	33	-2.0	-98.83	324.47	0.34	-98.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638296	1	33	-2.0	-98.84	324.50	0.35	-98.49
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1F	REAL300019638297	0	30	-2.0	-103.98	319.50	4.25	-99.73
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1F	REAL300019638297	1	30	-2.0	-103.98	319.53	4.25	-99.73
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CSC2=CC=CC=C12	REAL300019638298	0	33	-2.0	-106.70	333.83	5.02	-101.68
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CSC2=CC=CC=C12	REAL300019638298	1	33	-2.0	-106.66	333.87	5.02	-101.64
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCO2	REAL300019638299	0	33	-2.0	-108.85	323.87	2.29	-106.56
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCO2	REAL300019638299	1	33	-2.0	-108.79	323.91	2.29	-106.50
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638300	0	37	-2.0	-107.82	348.62	3.88	-103.94
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638300	1	37	-2.0	-107.77	348.66	3.88	-103.89
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C2C=C1	REAL300019638301	0	39	-2.0	-108.86	364.58	6.59	-102.27
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C2C=C1	REAL300019638301	1	39	-2.0	-108.85	364.61	6.60	-102.25
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(Cl)C=CS1	REAL300019638302	0	27	-2.0	-100.98	305.25	3.11	-97.87
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(Cl)C=CS1	REAL300019638302	1	27	-2.0	-101.01	305.28	3.12	-97.89
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638303	0	30	-2.0	-103.65	310.84	3.33	-100.32
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638303	1	30	-2.0	-103.63	310.87	3.33	-100.30
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNN=C1Cl	REAL300019638304	0	27	-2.0	-100.63	295.56	0.47	-100.16
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNN=C1Cl	REAL300019638304	1	27	-2.0	-100.68	295.59	0.47	-100.21
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(F)N=C1F	REAL300019638305	0	29	-2.0	-101.09	304.17	1.78	-99.31
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(F)N=C1F	REAL300019638305	1	29	-2.0	-101.03	304.20	1.78	-99.25
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638306	0	39	-2.0	-100.99	361.82	2.72	-98.27
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638306	1	39	-2.0	-100.92	361.85	2.72	-98.20
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638307	0	39	-2.0	-99.59	366.44	2.21	-97.38
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638307	1	39	-2.0	-99.57	366.48	2.22	-97.35
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(OC2CC2)C=C1	REAL300019638308	0	38	-2.0	-103.45	357.80	4.63	-98.82
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2O1	REAL300019638309	0	33	-2.0	-102.94	333.45	4.13	-98.81
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2O1	REAL300019638309	1	33	-2.0	-102.83	333.49	4.13	-98.70
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638310	0	29	-2.0	-98.27	305.77	1.96	-96.31
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638310	1	29	-2.0	-98.23	305.80	1.96	-96.27
O=C1NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019638311	0	27	-2.0	-98.06	294.11	-0.45	-98.51
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)C=C1	REAL300019638312	0	37	-2.0	-105.41	346.50	5.77	-99.64
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(F)C=CS1	REAL300019638313	0	27	-2.0	-102.79	295.55	2.70	-100.09
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(F)C=CS1	REAL300019638313	1	27	-2.0	-102.71	295.59	2.70	-100.01
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1F	REAL300019638314	0	31	-2.0	-93.90	323.98	4.10	-89.80
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1F	REAL300019638314	1	31	-2.0	-93.84	324.01	4.10	-89.74
COCC1(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019638315	0	34	-2.0	-104.43	310.50	2.23	-102.20
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638316	0	30	-2.0	-128.94	302.62	-0.41	-129.35
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638316	1	30	-2.0	-128.90	302.66	-0.41	-129.31
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC=CN1	REAL300019638317	0	27	-2.0	-105.78	278.89	0.24	-105.54
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC=CN1	REAL300019638317	1	27	-2.0	-105.76	278.93	0.24	-105.52
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2OCCCN2N=C1	REAL300019638318	0	35	-2.0	-109.56	334.27	0.57	-108.99
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2OCCCN2N=C1	REAL300019638318	1	35	-2.0	-109.51	334.30	0.57	-108.94
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019638319	0	33	-2.0	-105.75	327.39	4.29	-101.46
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019638319	1	33	-2.0	-105.75	327.42	4.29	-101.46
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638320	0	32	-2.0	-95.99	324.83	3.04	-92.95
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638320	1	32	-2.0	-95.91	324.86	3.04	-92.87
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019638321	0	39	-2.0	-105.84	363.70	5.10	-100.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=NN1C	REAL300019638322	0	33	-2.0	-101.38	317.94	1.89	-99.49
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=NN1C	REAL300019638322	1	33	-2.0	-101.32	317.97	1.89	-99.43
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638323	0	34	-2.0	-105.82	328.37	4.75	-101.07
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638324	0	33	-2.0	-103.51	320.66	2.02	-101.49
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638324	1	33	-2.0	-103.51	320.69	2.02	-101.49
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNN=C1C(F)(F)F	REAL300019638325	0	30	-2.0	-101.50	314.30	1.20	-100.30
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNN=C1C(F)(F)F	REAL300019638325	1	30	-2.0	-101.48	314.33	1.20	-100.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1F	REAL300019638326	0	32	-3.0	-192.45	329.36	4.25	-188.20
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1F	REAL300019638326	1	32	-3.0	-192.42	329.39	4.25	-188.17
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2N=CSC2=CC=C1	REAL300019638327	0	32	-2.0	-114.79	328.47	3.08	-111.71
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2N=CSC2=CC=C1	REAL300019638327	1	32	-2.0	-114.77	328.50	3.09	-111.68
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2CCOC2=C1	REAL300019638328	0	35	-2.0	-108.68	333.08	3.50	-105.18
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2CCOC2=C1	REAL300019638328	1	35	-2.0	-108.67	333.11	3.50	-105.17
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638329	0	33	-2.0	-104.93	324.40	5.16	-99.77
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638329	1	33	-2.0	-104.94	324.43	5.17	-99.77
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCC2	REAL300019638330	0	35	-2.0	-114.13	333.53	3.49	-110.64
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCC2	REAL300019638330	1	35	-2.0	-114.14	333.56	3.49	-110.65
CCC(CS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)OC	REAL300019638331	0	36	-2.0	-102.17	329.60	2.31	-99.86
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638332	0	42	-2.0	-103.64	368.77	3.54	-100.10
O=S(=O)(CCOCC1CC1)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638333	0	37	-2.0	-99.16	347.69	3.00	-96.16
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(F)=C1	REAL300019638334	0	33	-2.0	-111.75	327.19	4.61	-107.14
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(F)=C1	REAL300019638334	1	33	-2.0	-111.69	327.22	4.61	-107.08
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC=C21	REAL300019638335	0	35	-2.0	-104.49	341.13	2.12	-102.37
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CC=C21	REAL300019638335	1	35	-2.0	-104.46	341.16	2.12	-102.34
COC(CS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC1	REAL300019638336	0	37	-2.0	-102.52	338.87	3.03	-99.49
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638337	0	34	-2.0	-106.21	331.93	3.52	-102.69
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638337	1	34	-2.0	-106.20	331.97	3.52	-102.68
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638338	0	29	-2.0	-95.79	294.21	1.62	-94.17
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638338	1	29	-2.0	-95.81	294.24	1.62	-94.19
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300019638339	0	33	-2.0	-99.81	332.74	4.76	-95.05
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300019638339	1	33	-2.0	-99.77	332.77	4.76	-95.01
O=C1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=C12	REAL300019638340	0	36	-2.0	-114.24	345.39	4.65	-109.59
O=C1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=C12	REAL300019638340	1	36	-2.0	-114.17	345.42	4.65	-109.52
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638341	0	35	-2.0	-121.08	338.73	-0.31	-121.39
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638341	1	35	-2.0	-121.05	338.76	-0.31	-121.36
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CN=C1F	REAL300019638342	0	29	-2.0	-108.56	297.78	1.84	-106.72
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CN=C1F	REAL300019638342	1	29	-2.0	-108.55	297.81	1.84	-106.71
O=S(=O)(CCC1CCCC1)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638343	1	39	-2.0	-100.19	346.19	4.78	-95.41
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(F)N=C1	REAL300019638344	0	29	-2.0	-95.01	298.69	1.81	-93.20
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(F)N=C1	REAL300019638344	1	29	-2.0	-94.98	298.72	1.82	-93.16
O=S(=O)(CCOCC1CCC1)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638345	0	40	-2.0	-99.28	364.26	3.54	-95.74
COC(CS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(C)C	REAL300019638346	0	39	-2.0	-102.39	346.76	2.72	-99.67
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019638347	0	30	-2.0	-95.91	319.86	4.22	-91.69
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019638347	1	30	-2.0	-95.83	319.90	4.22	-91.61
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCCC2	REAL300019638348	0	38	-2.0	-113.70	349.46	4.86	-108.84
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCCC2	REAL300019638348	1	38	-2.0	-113.62	349.49	4.86	-108.76
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638351	0	37	-2.0	-115.57	353.21	1.09	-114.48
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638351	1	37	-2.0	-115.54	353.24	1.10	-114.44
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(=O)NC1=O	REAL300019638352	0	33	-2.0	-109.42	325.68	0.35	-109.07
CCOC(CS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC1	REAL300019638353	0	40	-2.0	-103.49	360.69	4.00	-99.49
COC(CS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCC1	REAL300019638354	0	43	-2.0	-101.11	370.94	3.98	-97.13
COC(CS(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCCC1	REAL300019638355	0	46	-2.0	-101.78	387.53	4.52	-97.26
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019638356	0	36	-2.0	-101.34	354.71	3.03	-98.31
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019638356	1	36	-2.0	-101.27	354.75	3.03	-98.24
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C(C2CC2)S1	REAL300019638357	0	33	-2.0	-102.81	337.02	3.17	-99.64
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C(C2CC2)S1	REAL300019638357	1	33	-2.0	-102.78	337.05	3.16	-99.62
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(Cl)N=C1F	REAL300019638358	0	29	-2.0	-101.75	314.62	2.27	-99.48
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(Cl)N=C1F	REAL300019638358	1	29	-2.0	-101.73	314.66	2.27	-99.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(F)=C1F	REAL300019638359	0	33	-2.0	-109.19	329.35	4.44	-104.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(F)=C1F	REAL300019638359	1	33	-2.0	-109.15	329.39	4.44	-104.71
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N1	REAL300019638360	0	32	-2.0	-115.99	324.37	2.64	-113.35
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N1	REAL300019638360	1	32	-2.0	-115.99	324.40	2.64	-113.35
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C)=N1	REAL300019638361	0	42	-2.0	-103.29	385.18	4.42	-98.87
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(C)=N1	REAL300019638361	1	42	-2.0	-103.31	385.21	4.43	-98.88
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638362	0	31	-3.0	-180.64	321.95	2.36	-178.28
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638362	1	31	-3.0	-180.55	321.98	2.36	-178.19
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638363	0	34	-2.0	-101.21	325.88	3.90	-97.31
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638363	1	34	-2.0	-101.13	325.88	3.90	-97.23
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638364	0	31	-2.0	-94.98	324.53	4.13	-90.85
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638364	1	31	-2.0	-94.95	324.56	4.13	-90.82
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNC2=NC=NC=C12	REAL300019638365	0	32	-2.0	-104.03	320.54	2.70	-101.33
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNC2=NC=NC=C12	REAL300019638365	1	32	-2.0	-104.04	320.58	2.70	-101.34
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL300019638366	0	34	-2.0	-112.84	331.01	3.63	-109.21
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL300019638366	1	34	-2.0	-112.76	331.04	3.63	-109.13
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638367	0	40	-2.0	-103.56	358.26	3.78	-99.78
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638367	1	40	-2.0	-103.59	358.30	3.79	-99.80
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C(C)(C)C)=N1	REAL300019638368	0	42	-2.0	-101.09	362.45	4.40	-96.69
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(C(C)(C)C)=N1	REAL300019638368	1	42	-2.0	-101.10	362.48	4.40	-96.70
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN(C2CCCC2)N=C1	REAL300019638369	0	40	-2.0	-104.06	364.68	4.01	-100.05
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN(C2CCCC2)N=C1	REAL300019638369	1	40	-2.0	-104.02	364.71	4.01	-100.01
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1O	REAL300019638370	0	31	-2.0	-98.90	313.46	1.42	-97.48
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638371	0	40	-2.0	-104.64	374.48	6.45	-98.19
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638371	1	40	-2.0	-104.60	374.51	6.45	-98.15
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638372	0	36	-2.0	-101.02	336.20	2.94	-98.08
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638372	1	36	-2.0	-100.99	336.24	2.94	-98.05
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1F	REAL300019638373	0	35	-2.0	-104.36	344.57	4.23	-100.13
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1F	REAL300019638373	1	35	-2.0	-104.32	344.60	4.23	-100.09
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638374	0	30	-2.0	-97.95	302.50	1.02	-96.93
NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638374	1	30	-2.0	-97.90	302.53	1.02	-96.88
O=S(=O)(C=CC1=CC=CC(Cl)=C1)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638375	1	34	-2.0	-101.04	345.91	5.35	-95.69
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019638376	0	37	-2.0	-107.51	361.02	5.62	-101.89
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019638376	1	37	-2.0	-107.43	361.06	5.62	-101.81
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638377	0	36	-2.0	-98.33	344.13	5.84	-92.49
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638377	1	36	-2.0	-98.27	344.16	5.84	-92.43
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638378	0	30	-2.0	-95.75	316.52	-0.54	-96.29
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638378	1	30	-2.0	-95.70	316.55	-0.54	-96.24
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019638379	0	43	-2.0	-106.38	369.32	3.86	-102.52
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NS1	REAL300019638380	0	26	-2.0	-97.45	284.01	1.37	-96.08
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NS1	REAL300019638380	1	26	-2.0	-97.45	284.05	1.37	-96.08
O=S(=O)(C=CC1=CC=CC=C1Cl)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638381	1	34	-2.0	-105.35	343.42	5.26	-100.09
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C(C(N)=O)O1	REAL300019638382	0	34	-2.0	-101.10	336.78	-0.73	-101.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C(C(N)=O)O1	REAL300019638382	1	34	-2.0	-101.06	336.81	-0.73	-101.79
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638383	0	39	-2.0	-100.30	344.22	6.26	-94.04
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CSC=C1C(F)F	REAL300019638384	0	30	-2.0	-107.21	311.72	3.81	-103.40
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CSC=C1C(F)F	REAL300019638384	1	30	-2.0	-107.14	311.79	3.81	-103.33
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC2=CC=NC=C21	REAL300019638385	0	35	-2.0	-113.94	333.52	4.16	-109.78
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC2=CC=NC=C21	REAL300019638385	1	35	-2.0	-113.91	333.55	4.16	-109.75
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638386	0	37	-2.0	-106.45	358.69	3.86	-102.59
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638386	1	37	-2.0	-106.39	358.72	3.86	-102.53
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1F	REAL300019638387	0	31	-2.0	-107.84	323.10	4.08	-103.76
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1F	REAL300019638387	1	31	-2.0	-107.80	323.13	4.09	-103.71
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN(C2CCC2)N=C1	REAL300019638388	0	37	-2.0	-103.75	347.17	3.34	-100.41
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN(C2CCC2)N=C1	REAL300019638388	1	37	-2.0	-103.70	347.20	3.34	-100.36
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NN1C1CCC1	REAL300019638389	0	37	-2.0	-101.28	344.56	3.54	-97.74
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NN1C1CCC1	REAL300019638389	1	37	-2.0	-101.27	344.59	3.54	-97.73
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NN1CC1CCC1	REAL300019638390	0	40	-2.0	-101.86	366.48	4.27	-97.59
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NN1CC1CCC1	REAL300019638390	1	40	-2.0	-101.85	366.51	4.27	-97.58
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C2CCCCN12	REAL300019638391	0	37	-2.0	-109.47	341.65	3.68	-105.79
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C2CCCCN12	REAL300019638391	1	37	-2.0	-109.43	341.69	3.68	-105.75
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638392	0	33	-2.0	-100.83	320.86	4.38	-96.45
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638392	1	33	-2.0	-100.80	320.89	4.38	-96.42
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)=C2O1	REAL300019638393	0	38	-2.0	-116.38	354.73	4.25	-112.13
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)=C2O1	REAL300019638393	1	38	-2.0	-116.36	354.76	4.25	-112.11
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019638394	0	38	-2.0	-103.20	365.95	3.33	-99.87
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019638394	1	38	-2.0	-103.11	365.98	3.33	-99.78
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CSC=C1Cl	REAL300019638395	0	27	-2.0	-101.15	302.69	3.10	-98.05
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CSC=C1Cl	REAL300019638395	1	27	-2.0	-101.15	302.73	3.10	-98.05
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638396	0	35	-2.0	-119.57	337.96	3.27	-116.30
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638396	1	35	-2.0	-119.53	337.99	3.27	-116.26
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=NON=C2C=C1	REAL300019638397	0	31	-2.0	-94.10	312.16	2.45	-91.65
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=NON=C2C=C1	REAL300019638397	1	31	-2.0	-94.11	312.19	2.45	-91.66
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2S1	REAL300019638398	0	33	-2.0	-108.18	336.11	5.09	-103.09
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2S1	REAL300019638398	1	33	-2.0	-108.16	336.14	5.09	-103.07
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638399	0	37	-2.0	-100.72	348.20	3.43	-97.29
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638399	1	37	-2.0	-100.66	348.23	3.43	-97.23
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C)=C1F	REAL300019638400	0	39	-2.0	-102.26	353.18	6.02	-96.24
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(C)=C1F	REAL300019638400	1	39	-2.0	-102.19	353.21	6.03	-96.16
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1OC	REAL300019638401	0	38	-2.0	-106.46	348.86	3.68	-102.78
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1OC	REAL300019638401	1	38	-2.0	-106.40	348.87	3.68	-102.72
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=COC2=CC=CC=C12	REAL300019638402	0	33	-2.0	-107.88	327.04	3.94	-103.94
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=COC2=CC=CC=C12	REAL300019638402	1	33	-2.0	-107.83	327.08	3.95	-103.88
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C2CC2)=N1	REAL300019638403	0	37	-2.0	-105.43	352.57	3.58	-101.85
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(C2CC2)=N1	REAL300019638403	1	37	-2.0	-105.37	352.61	3.59	-101.78
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(F)C=CC2=C1OCO2	REAL300019638404	0	33	-2.0	-112.81	326.71	2.86	-109.95
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(F)C=CC2=C1OCO2	REAL300019638404	1	33	-2.0	-112.78	326.74	2.87	-109.91
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)C=CC=C21	REAL300019638405	0	35	-2.0	-123.08	341.82	2.06	-121.02
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)C=CC=C21	REAL300019638405	1	35	-2.0	-123.06	341.85	2.06	-121.00
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)=C21	REAL300019638406	0	37	-2.0	-104.73	337.95	5.63	-99.10
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)=C21	REAL300019638406	1	37	-2.0	-104.70	337.98	5.63	-99.07
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CN=C1N	REAL300019638407	0	34	-2.0	-104.91	325.30	1.37	-103.54
CC1=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CN=C1N	REAL300019638407	1	34	-2.0	-104.85	325.33	1.37	-103.48
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638408	0	30	-2.0	-102.34	314.56	-0.47	-102.81
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638408	1	30	-2.0	-102.39	314.60	-0.47	-102.86
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)N=CN1	REAL300019638409	0	30	-2.0	-115.14	296.21	1.74	-113.40
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)N=CN1	REAL300019638409	1	30	-2.0	-115.08	296.24	1.74	-113.34
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2C=COC2=C(F)C=C1	REAL300019638411	0	33	-2.0	-102.42	330.99	4.05	-98.37
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2C=COC2=C(F)C=C1	REAL300019638411	1	33	-2.0	-102.38	331.03	4.05	-98.33
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C2CCC2)=N1	REAL300019638412	0	40	-2.0	-106.86	368.79	4.07	-102.79
CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(C2CCC2)=N1	REAL300019638412	1	40	-2.0	-106.83	368.82	4.07	-102.76
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(Cl)SC=C1	REAL300019638413	0	27	-2.0	-100.76	303.08	3.20	-97.56
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(Cl)SC=C1	REAL300019638413	1	27	-2.0	-100.70	303.11	3.20	-97.50
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN(CC2CCC2)N=C1	REAL300019638414	0	40	-2.0	-104.50	371.24	4.31	-100.19
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN(CC2CCC2)N=C1	REAL300019638414	1	40	-2.0	-104.45	371.28	4.31	-100.14
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(C2CC2)C=CS1	REAL300019638415	0	34	-2.0	-108.58	335.39	4.77	-103.81
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(C2CC2)C=CS1	REAL300019638415	1	34	-2.0	-108.57	335.43	4.78	-103.79
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638416	0	39	-2.0	-106.70	361.66	5.87	-100.83
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638416	1	39	-2.0	-106.62	361.69	5.87	-100.75
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638417	0	36	-2.0	-97.94	352.55	2.07	-95.87
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638417	1	36	-2.0	-97.89	352.59	2.07	-95.82
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638418	0	37	-2.0	-104.10	342.99	3.19	-100.91
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638418	1	37	-2.0	-104.05	343.02	3.20	-100.85
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638419	0	36	-2.0	-103.96	327.05	5.34	-98.62
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638419	1	36	-2.0	-103.92	327.08	5.34	-98.58
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638420	0	39	-2.0	-97.99	344.25	3.58	-94.41
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638420	1	39	-2.0	-97.97	344.29	3.57	-94.40
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638421	0	39	-2.0	-104.13	361.78	3.38	-100.75
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638421	1	39	-2.0	-104.12	361.82	3.38	-100.74
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CNN=C1C1CCC1	REAL300019638422	0	37	-2.0	-103.54	345.82	2.76	-100.78
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CNN=C1C1CCC1	REAL300019638422	1	37	-2.0	-103.53	345.86	2.76	-100.77
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638423	0	41	-2.0	-103.33	371.54	4.48	-98.85
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638423	1	41	-2.0	-103.31	371.57	4.48	-98.83
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(CF)C=C1	REAL300019638424	0	33	-2.0	-105.86	325.27	4.48	-101.38
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(CF)C=C1	REAL300019638424	1	33	-2.0	-105.80	325.30	4.49	-101.31
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638425	0	33	-2.0	-99.37	319.45	1.88	-97.49
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638425	1	33	-2.0	-99.33	319.48	1.88	-97.45
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1C	REAL300019638427	0	36	-2.0	-105.26	329.76	4.96	-100.30
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1C	REAL300019638427	1	36	-2.0	-105.22	329.79	4.96	-100.26
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC=C1C(F)F	REAL300019638428	0	33	-2.0	-110.70	317.29	4.99	-105.71
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC=C1C(F)F	REAL300019638428	1	33	-2.0	-110.67	317.34	4.99	-105.68
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1Cl	REAL300019638429	0	31	-2.0	-103.57	329.89	4.51	-99.06
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1Cl	REAL300019638429	1	31	-2.0	-103.53	329.92	4.52	-99.01
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(C2CC2)=C1	REAL300019638430	0	37	-2.0	-106.95	346.50	5.76	-101.19
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(C2CC2)=C1	REAL300019638430	1	37	-2.0	-106.88	346.53	5.76	-101.12
COC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=CS1	REAL300019638431	0	31	-2.0	-107.37	319.54	2.11	-105.26
COC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=CS1	REAL300019638431	1	31	-2.0	-107.30	319.57	2.11	-105.19
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)C=C1F	REAL300019638432	0	37	-2.0	-109.29	351.99	5.83	-103.46
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)C=C1F	REAL300019638432	1	37	-2.0	-109.23	352.02	5.84	-103.39
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NN1C1CCCC1	REAL300019638433	0	40	-2.0	-101.97	362.04	4.26	-97.71
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NN1C1CCCC1	REAL300019638433	1	40	-2.0	-101.92	362.07	4.26	-97.66
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638434	0	39	-2.0	-100.68	357.24	3.54	-97.14
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638434	1	39	-2.0	-100.62	357.28	3.54	-97.08
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)C2=N1	REAL300019638435	0	35	-2.0	-114.94	340.88	2.02	-112.92
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)C2=N1	REAL300019638435	1	35	-2.0	-114.89	340.91	2.02	-112.87
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019638436	0	33	-2.0	-105.58	323.35	3.26	-102.32
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019638436	1	33	-2.0	-105.52	323.39	3.27	-102.25
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)O1	REAL300019638437	0	30	-2.0	-98.15	321.13	2.88	-95.27
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)O1	REAL300019638437	1	30	-2.0	-98.09	321.16	2.89	-95.20
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638438	0	36	-2.0	-105.94	350.48	5.19	-100.75
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638438	1	36	-2.0	-105.87	350.52	5.19	-100.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019638439	0	31	-2.0	-101.81	321.06	2.11	-99.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019638439	1	31	-2.0	-101.81	321.09	2.11	-99.70
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN(CCF)N=C1	REAL300019638440	0	33	-2.0	-99.68	329.95	2.36	-97.32
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN(CCF)N=C1	REAL300019638440	1	33	-2.0	-99.67	329.97	2.36	-97.31
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638441	0	40	-2.0	-107.02	374.19	4.34	-102.68
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638441	1	40	-2.0	-106.93	374.23	4.34	-102.59
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC=C1CF	REAL300019638442	0	33	-2.0	-107.41	318.96	4.57	-102.84
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC=C1CF	REAL300019638442	1	33	-2.0	-107.40	318.99	4.57	-102.83
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C2C=CC=CN12	REAL300019638443	0	33	-2.0	-109.24	322.77	4.06	-105.18
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C2C=CC=CN12	REAL300019638443	1	33	-2.0	-109.21	322.81	4.06	-105.15
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2SC=NC2=C1	REAL300019638444	0	32	-2.0	-107.05	328.22	3.05	-104.00
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2SC=NC2=C1	REAL300019638444	1	32	-2.0	-107.02	328.25	3.05	-103.97
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N1	REAL300019638445	0	32	-2.0	-103.51	317.99	0.53	-102.98
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N1	REAL300019638445	1	32	-2.0	-103.46	318.02	0.53	-102.93
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1Cl	REAL300019638446	0	33	-2.0	-99.25	338.93	2.58	-96.67
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1Cl	REAL300019638446	1	33	-2.0	-99.21	338.97	2.58	-96.63
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(Cl)O1	REAL300019638447	0	27	-2.0	-99.22	297.02	2.27	-96.95
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(Cl)O1	REAL300019638447	1	27	-2.0	-99.13	297.05	2.28	-96.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300019638448	0	39	-2.0	-113.88	356.05	6.51	-107.37
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300019638448	1	39	-2.0	-113.92	356.08	6.51	-107.41
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(OCCF)C=C1	REAL300019638449	0	37	-2.0	-105.77	355.21	4.04	-101.73
O=S(=O)(C=CC1=CC=C(F)C=C1)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638450	1	34	-2.0	-100.78	335.59	4.90	-95.88
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)S1	REAL300019638451	0	34	-2.0	-105.65	341.09	4.97	-100.68
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)S1	REAL300019638451	1	34	-2.0	-105.58	341.13	4.98	-100.60
CC1=COC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638452	0	30	-2.0	-104.66	301.86	2.33	-102.33
CC1=COC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638452	1	30	-2.0	-104.58	301.90	2.33	-102.25
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=C(F)C(Cl)=C1	REAL300019638453	0	29	-2.0	-90.78	314.91	2.30	-88.48
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=C(F)C(Cl)=C1	REAL300019638453	1	29	-2.0	-90.76	314.94	2.30	-88.46
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638454	0	36	-2.0	-104.47	340.68	3.67	-100.80
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638454	1	36	-2.0	-104.48	340.71	3.67	-100.81
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC=C21	REAL300019638455	0	37	-2.0	-112.87	350.99	5.43	-107.44
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CC=C21	REAL300019638455	1	37	-2.0	-112.81	351.02	5.43	-107.38
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1Cl	REAL300019638456	0	30	-2.0	-98.79	317.14	1.71	-97.08
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1Cl	REAL300019638456	1	30	-2.0	-98.75	317.17	1.71	-97.04
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638457	0	36	-2.0	-113.45	334.15	5.52	-107.93
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638457	1	36	-2.0	-113.40	334.20	5.53	-107.87
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)OC=C1	REAL300019638458	0	28	-2.0	-102.13	301.43	2.11	-100.02
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)OC=C1	REAL300019638458	1	28	-2.0	-102.09	301.46	2.11	-99.98
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638459	0	32	-2.0	-94.16	325.02	3.05	-91.11
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638459	1	32	-2.0	-94.12	325.05	3.05	-91.07
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C2CC2)=N1	REAL300019638460	0	40	-2.0	-105.87	374.07	4.45	-101.42
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(C2CC2)=N1	REAL300019638460	1	40	-2.0	-105.79	374.11	4.45	-101.34
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(=O)NC(=O)N1	REAL300019638461	0	33	-2.0	-108.72	320.34	-0.61	-109.33
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(Cl)OC=C1	REAL300019638462	0	27	-2.0	-100.85	296.02	2.17	-98.68
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(Cl)OC=C1	REAL300019638462	1	27	-2.0	-100.80	296.05	2.17	-98.63
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(Cl)=CS1	REAL300019638463	0	27	-2.0	-98.38	306.08	3.18	-95.20
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(Cl)=CS1	REAL300019638463	1	27	-2.0	-98.39	306.11	3.18	-95.21
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638464	0	38	-2.0	-102.20	349.55	1.40	-100.80
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638464	1	38	-2.0	-102.22	349.58	1.40	-100.82
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC=C1C1CC1	REAL300019638465	0	37	-2.0	-106.47	340.83	5.81	-100.66
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC=C1C1CC1	REAL300019638465	1	37	-2.0	-106.41	340.86	5.82	-100.59
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(C)=N1	REAL300019638467	0	36	-2.0	-98.51	340.12	1.09	-97.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(C)=N1	REAL300019638467	1	36	-2.0	-98.47	340.15	1.09	-97.38
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638468	0	36	-2.0	-109.23	344.69	1.48	-107.75
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638468	1	36	-2.0	-109.18	344.72	1.48	-107.70
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1C	REAL300019638469	0	36	-2.0	-100.16	344.61	1.07	-99.09
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1C	REAL300019638469	1	36	-2.0	-100.17	344.64	1.08	-99.09
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019638470	0	39	-2.0	-102.74	364.69	3.76	-98.98
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019638470	1	39	-2.0	-102.69	364.72	3.76	-98.93
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638471	0	39	-2.0	-104.45	360.88	3.40	-101.05
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638471	1	39	-2.0	-104.32	360.91	3.40	-100.92
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=CO1	REAL300019638472	0	28	-2.0	-105.00	300.23	2.06	-102.94
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=CO1	REAL300019638472	1	28	-2.0	-104.98	300.26	2.07	-102.91
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)SC=C1	REAL300019638473	0	28	-2.0	-100.93	309.33	2.99	-97.94
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)SC=C1	REAL300019638473	1	28	-2.0	-100.85	309.36	2.99	-97.86
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019638474	0	36	-2.0	-100.11	339.00	2.92	-97.19
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019638474	1	36	-2.0	-100.08	339.03	2.92	-97.16
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=NN1CC1CC1	REAL300019638475	0	37	-2.0	-99.24	349.48	3.77	-95.47
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=NN1CC1CC1	REAL300019638475	1	37	-2.0	-99.18	349.51	3.77	-95.41
COC1=NOC(CS(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638476	0	33	-2.0	-96.93	328.33	-0.01	-96.94
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=NN1C(C)C	REAL300019638477	0	39	-2.0	-102.56	361.77	3.40	-99.16
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=NN1C(C)C	REAL300019638477	1	39	-2.0	-102.58	361.80	3.40	-99.18
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CC(C(F)F)=C1	REAL300019638478	0	32	-2.0	-98.26	324.64	2.69	-95.57
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CC(C(F)F)=C1	REAL300019638478	1	32	-2.0	-98.23	324.67	2.69	-95.54
CC(C)C1CC(CS(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019638479	1	42	-2.0	-101.31	367.25	5.33	-95.98
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL300019638480	0	31	-2.0	-106.10	308.29	0.80	-105.30
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL300019638480	1	31	-2.0	-106.05	308.32	0.80	-105.25
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CSN=C1	REAL300019638481	0	26	-2.0	-95.33	282.93	1.25	-94.08
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CSN=C1	REAL300019638481	1	26	-2.0	-95.30	282.96	1.27	-94.03
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL300019638482	0	35	-3.0	-168.99	343.79	4.33	-164.66
CCC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL300019638482	1	35	-3.0	-168.94	343.81	4.34	-164.60
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C(Cl)S1	REAL300019638483	0	30	-2.0	-95.96	323.81	4.04	-91.92
CC1=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C(Cl)S1	REAL300019638483	1	30	-2.0	-95.92	323.84	4.04	-91.88
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN=CS1	REAL300019638484	0	26	-2.0	-99.89	283.86	0.77	-99.12
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN=CS1	REAL300019638484	1	26	-2.0	-99.86	283.89	0.78	-99.08
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2CCCCN2N=C1	REAL300019638485	0	37	-2.0	-104.27	343.00	2.99	-101.28
O=S(=O)([N-]C1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2CCCCN2N=C1	REAL300019638485	1	37	-2.0	-104.18	343.03	2.99	-101.19
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019638486	0	33	-2.0	-110.28	324.17	4.39	-105.89
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019638486	1	33	-2.0	-110.28	324.21	4.40	-105.88
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638487	1	40	-2.0	-99.54	359.67	2.43	-97.11
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638488	1	37	-2.0	-100.34	344.24	1.65	-98.69
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)=C1	REAL300019638491	0	31	-2.0	-104.22	297.95	1.27	-102.95
O=C1[N-]N=NN1C1=CC=CC(NS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)=C1	REAL300019638492	0	34	-2.0	-91.54	325.39	0.71	-90.83
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2)=C1	REAL300019638493	0	30	-2.0	-88.33	301.31	-0.37	-88.70
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638494	1	32	-2.0	-94.13	310.29	1.38	-92.75
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638495	1	32	-2.0	-90.08	310.27	1.39	-88.69
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2F)=C1	REAL300019638496	0	31	-2.0	-93.99	311.68	1.57	-92.42
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638497	0	32	-2.0	-104.72	307.55	1.26	-103.46
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Br)=C1	REAL300019638498	0	31	-2.0	-97.62	305.94	1.70	-95.92
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1F	REAL300019638499	0	34	-2.0	-103.96	324.92	1.58	-102.38
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1F	REAL300019638499	1	33	-3.0	-162.47	322.46	1.59	-160.88
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1	REAL300019638501	1	40	-2.0	-95.25	352.27	0.93	-94.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1[N+](=O)[O-]	REAL300019638502	1	36	-2.0	-95.46	333.65	2.18	-93.28
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638503	0	34	-2.0	-92.60	305.66	-1.17	-93.77
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300019638504	1	47	-2.0	-96.04	391.32	4.81	-91.23
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300019638505	1	34	-2.0	-89.55	328.21	2.00	-87.55
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=C1	REAL300019638506	1	41	-2.0	-98.77	352.17	3.48	-95.29
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638507	0	34	-2.0	-101.37	324.62	1.43	-99.94
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638507	1	33	-3.0	-151.39	317.90	1.56	-149.83
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638508	0	39	-2.0	-104.86	347.19	0.07	-104.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1OC	REAL300019638509	1	39	-2.0	-95.80	348.18	0.19	-95.61
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCCC3=C2)=C1	REAL300019638510	1	38	-2.0	-98.88	334.97	2.91	-95.97
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638511	0	33	-2.0	-88.07	302.63	-0.04	-88.11
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)=C1	REAL300019638512	1	31	-2.0	-88.71	321.38	1.97	-86.74
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638513	0	34	-2.0	-96.34	320.37	1.55	-94.79
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638513	1	33	-3.0	-165.42	317.91	1.56	-163.86
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300019638514	1	31	-2.0	-87.97	302.17	1.11	-86.86
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2Cl)=C1	REAL300019638515	0	31	-2.0	-93.58	319.31	2.08	-91.50
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300019638516	1	34	-2.0	-93.49	328.53	2.01	-91.48
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638517	1	34	-2.0	-97.94	310.87	1.65	-96.29
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300019638519	0	34	-2.0	-100.23	315.34	2.38	-97.85
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300019638520	1	31	-2.0	-93.88	306.18	1.52	-92.36
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638521	1	36	-2.0	-96.07	330.71	1.41	-94.66
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638522	1	37	-2.0	-97.73	326.35	2.45	-95.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C	REAL300019638523	1	37	-2.0	-98.76	327.87	2.19	-96.57
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)=C1	REAL300019638524	1	31	-2.0	-88.13	312.06	1.56	-86.57
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638525	1	36	-2.0	-106.84	332.22	1.48	-105.36
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638527	0	37	-2.0	-109.43	334.65	2.39	-107.04
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638528	0	40	-2.0	-92.05	366.10	2.59	-89.46
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2Cl)=C1	REAL300019638529	0	31	-2.0	-95.67	317.77	2.02	-93.65
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1[N+](=O)[O-]	REAL300019638530	1	37	-2.0	-95.06	344.96	1.73	-93.33
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638531	1	43	-2.0	-96.62	365.67	3.32	-93.30
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638532	1	40	-2.0	-96.60	349.68	2.93	-93.67
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638533	1	43	-2.0	-96.45	368.13	3.59	-92.86
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638534	0	37	-3.0	-169.57	346.06	1.35	-168.22
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638534	1	38	-2.0	-98.14	348.57	1.39	-96.75
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638535	0	38	-2.0	-93.95	355.84	2.72	-91.23
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638535	1	37	-3.0	-150.96	349.38	2.85	-148.11
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)=C1	REAL300019638536	0	31	-2.0	-98.25	313.06	2.31	-95.94
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300019638537	0	28	-2.0	-89.75	298.42	0.62	-89.13
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638538	1	40	-2.0	-96.43	353.86	3.22	-93.21
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638539	0	35	-2.0	-103.59	317.69	0.79	-102.80
CC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300019638540	0	37	-2.0	-101.90	336.39	2.08	-99.82
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300019638540	1	36	-3.0	-166.90	333.93	2.09	-164.81
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)=C1	REAL300019638541	0	31	-2.0	-92.43	307.51	1.19	-91.24
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)=C1	REAL300019638542	1	31	-2.0	-88.96	322.91	2.03	-86.93
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2Cl)=C1	REAL300019638543	0	31	-2.0	-98.29	302.58	1.56	-96.73
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Br)=C2)=C1	REAL300019638544	1	31	-2.0	-93.77	310.74	1.62	-92.15
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300019638545	0	33	-2.0	-94.55	317.67	1.67	-92.88
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638546	0	36	-2.0	-93.47	333.16	2.44	-91.03
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C([N+](=O)[O-])=C2)=C1	REAL300019638547	0	33	-2.0	-89.01	330.14	2.04	-86.97
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300019638548	0	28	-2.0	-95.12	281.38	-0.01	-95.13
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300019638550	0	33	-2.0	-108.61	310.53	2.41	-106.20
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638551	0	33	-3.0	-159.85	330.98	2.13	-157.72
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638551	1	34	-2.0	-91.80	333.66	2.10	-89.70
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1Cl	REAL300019638552	0	34	-2.0	-100.30	332.89	1.94	-98.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1Cl	REAL300019638552	1	33	-3.0	-161.14	330.44	1.95	-159.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638553	1	34	-2.0	-97.35	310.87	1.67	-95.68
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2F)=C1	REAL300019638555	0	31	-2.0	-93.35	301.36	1.13	-92.22
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300019638556	1	31	-2.0	-94.02	295.86	1.07	-92.95
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(F)=C2)=C1	REAL300019638557	0	31	-2.0	-88.38	302.27	1.13	-87.25
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300019638558	1	43	-2.0	-97.98	353.54	3.75	-94.23
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300019638559	1	37	-2.0	-97.56	333.94	0.14	-97.42
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638561	1	46	-2.0	-98.63	381.14	4.09	-94.54
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300019638562	1	31	-2.0	-90.99	306.20	1.52	-89.47
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2)=C1	REAL300019638563	1	31	-2.0	-90.95	310.76	1.62	-89.33
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300019638564	0	33	-2.0	-86.26	317.68	1.67	-84.59
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300019638565	1	31	-2.0	-97.28	289.45	0.99	-96.29
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638566	1	38	-2.0	-102.33	345.82	-0.13	-102.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019638567	0	31	-2.0	-96.31	303.27	0.80	-95.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300019638568	0	40	-2.0	-100.06	353.06	2.89	-97.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300019638568	1	39	-3.0	-166.58	350.59	2.90	-163.68
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638569	0	35	-2.0	-96.95	334.44	1.31	-95.64
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])=C1	REAL300019638570	0	33	-2.0	-99.49	327.26	2.92	-96.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638571	0	33	-3.0	-161.34	323.39	1.62	-159.72
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)=C1	REAL300019638572	0	28	-2.0	-88.78	312.29	1.15	-87.63
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638573	1	46	-2.0	-96.27	392.92	4.51	-91.76
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638574	1	36	-2.0	-93.26	327.72	2.27	-90.99
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)=C1	REAL300019638575	0	31	-2.0	-96.27	301.36	1.13	-95.14
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638576	0	40	-2.0	-93.29	367.95	3.02	-90.27
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638576	1	39	-3.0	-149.99	361.50	3.15	-146.84
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638577	1	41	-2.0	-102.04	366.12	0.70	-101.34
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2N1	REAL300019638578	1	35	-2.0	-93.22	325.20	-2.19	-95.41
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638579	1	35	-2.0	-95.01	329.66	2.02	-92.99
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C2N1	REAL300019638580	1	36	-2.0	-94.08	331.47	-0.55	-94.63
O=C1[N-]N=NN1C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)=CC=C1	REAL300019638581	1	39	-2.0	-94.92	349.27	0.17	-94.75
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638583	0	30	-3.0	-158.69	311.10	0.57	-158.12
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2O1	REAL300019638584	1	34	-2.0	-92.85	321.20	-1.50	-94.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638586	0	37	-2.0	-97.94	332.97	1.90	-96.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638586	1	36	-3.0	-164.45	333.34	2.34	-162.11
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638587	0	37	-2.0	-95.87	327.06	0.07	-95.80
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300019638588	0	39	-2.0	-93.41	350.45	3.01	-90.40
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638589	0	37	-2.0	-92.45	344.23	1.66	-90.79
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638590	1	38	-2.0	-96.60	345.90	-0.72	-97.32
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638591	0	36	-2.0	-97.83	343.65	-4.04	-101.87
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638592	0	40	-2.0	-107.66	361.63	2.67	-104.99
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638593	1	35	-2.0	-96.53	323.97	-2.22	-98.75
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638594	1	37	-2.0	-96.78	332.36	2.44	-94.34
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300019638595	1	37	-2.0	-99.80	335.40	3.27	-96.53
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=CS1	REAL300019638596	0	34	-2.0	-106.01	329.03	1.30	-104.71
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638597	1	41	-2.0	-95.91	366.03	1.51	-94.40
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638599	0	38	-2.0	-93.55	355.45	1.71	-91.84
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638600	1	43	-2.0	-96.68	370.66	3.68	-93.00
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2)=C1	REAL300019638601	1	31	-2.0	-90.41	295.87	1.07	-89.34
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2F)=C1	REAL300019638602	0	31	-2.0	-101.39	294.93	1.06	-100.33
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C3=NC=CC=C23)=C1	REAL300019638603	1	36	-2.0	-93.43	331.83	1.50	-91.93
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638604	0	37	-2.0	-110.30	343.57	-0.51	-110.81
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)=C2N=C1	REAL300019638605	0	39	-2.0	-112.52	350.77	2.27	-110.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(Cl)=C1	REAL300019638607	0	34	-2.0	-98.09	324.00	2.23	-95.86
O=C1[N-]N=NN1C1=CC([N-]S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)=CC=C1	REAL300019638608	1	37	-2.0	-93.67	340.18	-1.78	-95.45
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638609	1	36	-2.0	-101.70	343.65	-4.05	-105.75
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C21	REAL300019638610	1	39	-2.0	-94.29	352.75	1.45	-92.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C([N+](=O)[O-])=C1	REAL300019638611	0	37	-2.0	-104.27	340.01	1.71	-102.56
O=C1[N-]N=NN1C1=CC([N-]S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)=CC=C1	REAL300019638612	1	36	-2.0	-91.38	337.14	2.49	-88.89
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C21	REAL300019638613	1	37	-2.0	-94.26	343.56	0.95	-93.31
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638614	0	37	-2.0	-102.07	350.17	-1.48	-103.55
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638615	1	34	-2.0	-90.17	311.33	1.84	-88.33
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=C1	REAL300019638616	1	41	-2.0	-99.76	359.31	4.87	-94.89
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C=C2Cl)=C1	REAL300019638617	0	31	-2.0	-90.80	308.98	1.63	-89.17
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300019638618	0	38	-2.0	-108.52	351.30	-0.06	-108.58
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638619	1	37	-2.0	-105.38	350.16	-1.49	-106.87
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1OC	REAL300019638621	0	39	-2.0	-97.52	353.66	0.27	-97.25
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1OC	REAL300019638622	1	42	-2.0	-95.73	363.62	0.97	-94.76
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300019638623	0	34	-3.0	-163.29	324.56	0.91	-162.38
CN1C=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300019638623	1	35	-2.0	-96.78	327.02	0.90	-95.88
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1Cl	REAL300019638624	0	31	-2.0	-104.60	307.95	0.50	-104.10
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(N)=O	REAL300019638625	0	36	-2.0	-95.32	331.45	-2.84	-98.16
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638626	0	38	-2.0	-99.04	341.71	-0.05	-99.09
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1Cl	REAL300019638628	1	35	-2.0	-93.66	334.96	0.85	-92.81
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019638629	1	35	-2.0	-93.64	325.16	0.36	-93.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(N)=O	REAL300019638632	1	38	-2.0	-92.37	340.03	-1.55	-93.92
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(N)=O	REAL300019638633	1	39	-2.0	-94.30	351.26	-1.62	-95.92
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019638634	0	31	-2.0	-94.40	294.00	-1.30	-95.70
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638635	0	36	-2.0	-85.98	333.16	2.44	-83.54
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1C	REAL300019638637	0	39	-2.0	-95.78	353.39	-1.36	-97.14
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638638	1	34	-2.0	-93.49	321.66	2.29	-91.20
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=N2)C=C1	REAL300019638640	0	41	-2.0	-95.38	371.42	2.78	-92.60
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638643	0	33	-3.0	-154.36	327.03	1.24	-153.12
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1Cl	REAL300019638644	1	32	-2.0	-87.34	325.66	1.80	-85.54
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1Cl	REAL300019638645	1	32	-2.0	-87.98	325.70	1.80	-86.18
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300019638646	0	40	-2.0	-98.72	351.23	2.89	-95.83
O=C1OCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=C21	REAL300019638647	1	35	-2.0	-101.73	327.81	1.37	-100.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CN=C12	REAL300019638648	1	40	-2.0	-99.26	354.76	0.79	-98.47
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1Cl	REAL300019638649	1	34	-2.0	-94.51	324.91	2.10	-92.41
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)=C1	REAL300019638650	0	31	-2.0	-98.57	311.14	1.56	-97.01
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638652	0	37	-2.0	-91.65	345.92	1.46	-90.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CC=C12	REAL300019638653	1	41	-2.0	-102.31	358.83	2.66	-99.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019638654	1	34	-2.0	-94.43	316.17	1.70	-92.73
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638655	1	34	-2.0	-90.82	321.66	2.28	-88.54
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638656	0	34	-2.0	-101.58	316.36	1.73	-99.85
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638657	1	34	-2.0	-93.61	311.33	1.84	-91.77
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCCl)C=C2)=C1	REAL300019638658	1	37	-2.0	-95.70	349.51	3.06	-92.64
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638659	0	36	-2.0	-108.12	327.80	3.35	-104.77
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638660	1	41	-2.0	-107.66	361.99	0.82	-106.84
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638661	0	39	-2.0	-112.74	350.72	2.28	-110.46
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300019638662	0	30	-3.0	-160.54	309.56	0.59	-159.95
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300019638662	1	31	-2.0	-97.48	316.15	0.47	-97.01
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)=C1	REAL300019638663	0	33	-2.0	-86.50	330.81	2.22	-84.28
COC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300019638664	0	38	-2.0	-108.53	347.67	1.62	-106.91
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CN=C2C=C1	REAL300019638665	1	39	-2.0	-98.26	339.55	2.37	-95.89
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1O	REAL300019638666	1	38	-2.0	-94.19	353.05	-0.31	-94.50
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2[N+](=O)[O-])=C1	REAL300019638667	0	33	-2.0	-101.75	316.93	2.48	-99.27
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300019638668	1	41	-2.0	-97.48	363.65	4.41	-93.07
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1	REAL300019638669	0	33	-2.0	-105.26	322.87	2.37	-102.89
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638670	0	40	-2.0	-107.11	369.46	-0.50	-107.61
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638673	0	35	-2.0	-98.89	320.63	-0.64	-99.53
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2)=C1	REAL300019638674	0	28	-2.0	-91.79	271.04	-2.61	-94.40
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638675	0	40	-2.0	-97.50	350.31	2.77	-94.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638675	1	39	-3.0	-162.92	348.05	3.27	-159.65
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=C1	REAL300019638676	0	34	-2.0	-100.68	328.97	1.90	-98.78
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019638677	0	34	-2.0	-90.57	337.32	0.76	-89.81
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C	REAL300019638678	0	39	-2.0	-108.70	347.09	3.62	-105.08
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638679	0	35	-2.0	-90.10	327.25	1.37	-88.73
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1	REAL300019638680	0	31	-2.0	-94.40	304.36	1.34	-93.06
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(=O)[O-])O1	REAL300019638681	0	33	-3.0	-156.53	320.92	0.69	-155.84
CC1=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(=O)[O-])O1	REAL300019638681	1	34	-2.0	-98.38	323.87	0.65	-97.73
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=C1	REAL300019638682	0	34	-2.0	-116.56	317.65	0.20	-116.36
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638683	0	37	-2.0	-101.40	349.71	1.71	-99.69
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638684	0	41	-2.0	-105.26	360.96	2.38	-102.88
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1	REAL300019638685	0	33	-2.0	-108.11	323.13	3.14	-104.97
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=C1	REAL300019638686	1	36	-2.0	-107.00	337.73	1.17	-105.83
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(Br)=C2)=C1	REAL300019638687	0	30	-2.0	-88.66	305.77	-0.20	-88.86
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1	REAL300019638688	0	33	-2.0	-111.60	315.46	2.61	-108.99
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638689	0	37	-3.0	-167.91	346.90	0.64	-167.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638689	1	38	-2.0	-102.67	349.65	0.60	-102.07
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300019638690	0	38	-2.0	-95.76	350.02	2.12	-93.64
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300019638691	0	41	-2.0	-95.35	375.43	2.55	-92.80
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(F)=C2)=C1	REAL300019638692	0	30	-2.0	-88.58	290.85	-0.73	-89.31
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(F)(F)F	REAL300019638693	1	37	-2.0	-94.00	343.87	2.51	-91.49
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638694	0	34	-2.0	-95.77	337.50	0.65	-95.12
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638695	0	39	-2.0	-92.16	347.90	3.39	-88.77
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300019638696	1	36	-2.0	-98.32	325.62	1.43	-96.89
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)=C1	REAL300019638697	0	30	-2.0	-89.93	314.60	0.12	-89.81
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638698	0	31	-2.0	-104.49	293.47	0.08	-104.41
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=C12	REAL300019638700	0	39	-2.0	-92.14	355.77	0.72	-91.42
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=C12	REAL300019638701	0	35	-2.0	-88.39	329.20	-2.02	-90.41
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019638702	0	31	-2.0	-87.12	305.39	-0.49	-87.61
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CCCCl)C=C2)=C1	REAL300019638703	1	40	-2.0	-98.17	371.01	3.84	-94.33
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)=C1	REAL300019638704	0	31	-2.0	-99.51	301.25	1.12	-98.39
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300019638705	0	35	-2.0	-99.54	327.44	0.58	-98.96
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1	REAL300019638706	0	33	-2.0	-101.76	327.26	2.94	-98.82
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638707	0	37	-2.0	-93.72	341.25	2.35	-91.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638707	1	36	-3.0	-154.87	338.62	2.37	-152.50
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=C1	REAL300019638708	0	37	-2.0	-102.54	332.59	0.63	-101.91
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1C	REAL300019638709	0	34	-2.0	-105.92	312.98	-0.11	-106.03
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=C1	REAL300019638710	0	35	-2.0	-99.32	327.47	1.05	-98.27
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638711	1	40	-2.0	-99.93	366.11	2.58	-97.35
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019638712	0	34	-2.0	-94.63	315.53	-0.45	-95.08
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638713	1	38	-2.0	-98.70	344.52	0.72	-97.98
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638714	0	37	-2.0	-103.92	341.08	2.46	-101.46
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)N=C3SC=CN32)=C1	REAL300019638715	0	31	-2.0	-96.57	321.55	1.10	-95.47
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=C1	REAL300019638716	1	36	-2.0	-95.73	325.42	0.30	-95.43
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2Cl)=C1	REAL300019638717	0	31	-2.0	-93.56	308.98	1.63	-91.93
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)=CO1	REAL300019638718	1	40	-2.0	-99.73	365.85	0.07	-99.66
O=C1NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C12	REAL300019638721	0	35	-2.0	-91.01	333.75	-2.15	-93.16
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638722	0	31	-2.0	-92.53	289.87	-1.96	-94.49
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638723	1	35	-2.0	-99.00	318.96	0.29	-98.71
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638724	1	34	-2.0	-96.94	304.94	1.77	-95.17
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019638725	0	37	-2.0	-100.55	350.78	-0.77	-101.32
CC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019638725	1	36	-3.0	-159.38	349.04	-1.98	-161.36
CN1C=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300019638726	0	31	-2.0	-102.41	294.29	-1.47	-103.88
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638727	0	31	-2.0	-89.56	289.69	-1.38	-90.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300019638732	0	34	-2.0	-101.00	316.36	1.74	-99.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1F	REAL300019638733	1	34	-2.0	-90.96	316.18	1.69	-89.27
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CNC=N2)=C1	REAL300019638734	0	28	-2.0	-104.09	270.92	-1.63	-105.72
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019638735	0	34	-2.0	-91.35	328.99	-0.21	-91.56
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=C1	REAL300019638736	0	36	-2.0	-112.58	329.41	1.63	-110.95
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)=C1	REAL300019638737	0	31	-2.0	-88.67	307.65	1.18	-87.49
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(=O)[O-])S1	REAL300019638738	0	33	-3.0	-160.37	327.61	1.44	-158.93
CC1=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(=O)[O-])S1	REAL300019638738	1	34	-2.0	-98.51	330.14	1.43	-97.08
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300019638739	1	40	-2.0	-99.28	353.78	2.31	-96.97
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638740	0	35	-2.0	-98.79	332.05	0.86	-97.93
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CN=C1Cl	REAL300019638741	0	33	-2.0	-89.04	320.10	0.21	-88.83
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638742	0	37	-2.0	-106.17	347.60	-1.43	-107.60
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638744	1	40	-2.0	-101.79	366.42	2.45	-99.34
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638746	0	43	-2.0	-96.49	368.62	1.60	-94.89
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)SC=C1	REAL300019638747	0	31	-2.0	-97.84	300.21	0.63	-97.21
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300019638748	0	40	-2.0	-95.92	348.88	0.94	-94.98
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C	REAL300019638749	0	40	-2.0	-92.63	360.25	2.19	-90.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1[N+](=O)[O-]	REAL300019638750	0	36	-2.0	-86.85	333.66	2.17	-84.68
O=C1[N-]N=NN1C1=CC([N-]S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)=CC=C1	REAL300019638753	1	39	-2.0	-109.07	349.04	-0.55	-109.62
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638754	1	35	-2.0	-93.38	325.72	2.16	-91.22
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1F	REAL300019638755	1	38	-2.0	-104.61	350.66	-0.01	-104.62
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1[N+](=O)[O-]	REAL300019638756	0	36	-2.0	-94.67	341.83	2.36	-92.31
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638757	1	43	-2.0	-95.56	342.11	3.57	-91.99
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1C	REAL300019638758	1	41	-2.0	-114.58	364.07	0.79	-113.79
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638759	0	35	-2.0	-98.62	327.13	1.45	-97.17
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638760	1	35	-2.0	-89.85	325.70	2.15	-87.70
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638761	1	43	-2.0	-98.58	354.22	4.22	-94.36
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300019638763	0	32	-2.0	-93.09	315.75	1.45	-91.64
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2O1	REAL300019638764	1	36	-2.0	-95.12	333.10	-1.34	-96.46
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019638765	0	37	-2.0	-94.62	334.22	0.08	-94.54
NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638766	0	36	-2.0	-101.00	328.55	-2.67	-103.67
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1	REAL300019638767	1	36	-2.0	-97.71	330.42	1.39	-96.32
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019638768	0	37	-2.0	-99.65	348.80	-0.23	-99.88
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1	REAL300019638769	0	37	-2.0	-103.03	333.25	-0.57	-103.60
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C([N+](=O)[O-])=C1	REAL300019638770	0	34	-2.0	-98.96	331.29	2.80	-96.16
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1C1=CC=CC=N1	REAL300019638773	0	40	-2.0	-99.09	364.01	2.22	-96.87
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)=C1	REAL300019638775	1	31	-2.0	-83.14	308.44	1.18	-81.96
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638776	1	42	-2.0	-94.58	372.08	2.84	-91.74
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1C	REAL300019638778	0	38	-2.0	-99.85	350.62	1.09	-98.76
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638779	1	46	-2.0	-96.51	379.90	3.79	-92.72
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(Cl)=C1	REAL300019638780	0	33	-3.0	-149.70	330.96	2.12	-147.58
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(Cl)=C1	REAL300019638780	1	34	-2.0	-92.56	333.59	2.09	-90.47
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019638781	0	34	-2.0	-97.29	324.90	1.59	-95.70
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019638781	1	33	-3.0	-150.67	322.43	1.60	-149.07
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638782	1	39	-2.0	-90.21	355.92	0.39	-89.82
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638783	1	41	-2.0	-104.90	356.84	1.21	-103.69
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C)=C1F	REAL300019638784	1	37	-2.0	-91.67	336.48	2.33	-89.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019638785	0	30	-3.0	-153.01	310.18	0.69	-152.32
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638786	0	40	-2.0	-105.94	354.16	2.25	-103.69
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638787	0	34	-2.0	-94.34	330.89	1.50	-92.84
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638787	1	33	-3.0	-155.85	324.32	1.62	-154.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1F	REAL300019638788	0	36	-3.0	-162.84	343.67	2.26	-160.58
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1	REAL300019638789	0	35	-2.0	-97.43	332.85	-0.65	-98.08
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300019638790	0	33	-3.0	-151.35	323.37	1.63	-149.72
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1Cl	REAL300019638791	0	34	-2.0	-93.85	332.88	1.95	-91.90
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1Cl	REAL300019638791	1	33	-3.0	-148.99	330.40	1.96	-147.03
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638792	1	34	-2.0	-93.55	310.26	1.80	-91.75
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1C	REAL300019638793	1	40	-2.0	-94.59	360.26	2.18	-92.41
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300019638794	0	34	-2.0	-96.10	336.72	0.68	-95.42
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1F	REAL300019638795	1	37	-2.0	-90.22	348.80	1.67	-88.55
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019638796	0	33	-2.0	-94.24	315.96	-0.51	-94.75
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638797	1	35	-2.0	-101.80	331.71	2.17	-99.63
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638798	0	39	-2.0	-86.11	347.81	3.35	-82.76
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1[O-]	REAL300019638799	1	39	-2.0	-91.74	354.49	-2.08	-93.82
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638802	1	37	-2.0	-92.93	344.00	2.78	-90.15
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638803	1	37	-2.0	-98.12	332.34	2.43	-95.69
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638804	1	34	-2.0	-94.09	317.26	1.72	-92.37
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638806	0	37	-2.0	-92.39	347.34	0.46	-91.93
O=C1[N-]N=NN1C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)=CC=C1	REAL300019638807	1	37	-2.0	-93.59	340.85	0.05	-93.54
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(F)=C1F	REAL300019638808	0	34	-2.0	-98.43	331.20	1.65	-96.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(F)=C1F	REAL300019638808	1	33	-3.0	-153.63	328.73	1.65	-151.98
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C(F)C=C1F	REAL300019638810	0	34	-2.0	-93.49	321.66	1.76	-91.73
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1	REAL300019638811	1	37	-2.0	-104.92	330.49	3.31	-101.61
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=C1	REAL300019638812	0	33	-2.0	-94.75	321.45	0.48	-94.27
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638813	0	34	-3.0	-162.68	327.62	-0.73	-163.41
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638813	1	34	-3.0	-164.88	326.84	0.06	-164.82
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=C1	REAL300019638814	1	41	-2.0	-100.49	344.77	3.62	-96.87
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638815	0	37	-2.0	-92.39	346.55	2.21	-90.18
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638815	1	36	-3.0	-154.35	340.10	2.34	-152.01
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019638816	0	37	-2.0	-91.49	350.86	0.71	-90.78
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)=C1	REAL300019638817	0	33	-2.0	-86.91	324.07	1.73	-85.18
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638818	0	36	-2.0	-105.67	343.77	1.97	-103.70
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C21	REAL300019638819	1	43	-2.0	-96.22	380.17	2.53	-93.69
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638820	0	34	-2.0	-105.79	332.18	1.70	-104.09
COC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)SC=C1	REAL300019638821	0	32	-2.0	-104.25	311.62	-0.72	-104.97
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)OC2=CC=C(F)C=C21	REAL300019638822	0	37	-2.0	-94.97	343.20	2.27	-92.70
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300019638823	0	34	-2.0	-98.95	319.21	1.39	-97.56
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C2C=C1	REAL300019638824	0	39	-2.0	-114.20	350.97	2.23	-111.97
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1F	REAL300019638825	0	36	-2.0	-94.60	343.48	2.36	-92.24
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638826	0	33	-2.0	-101.66	322.69	-0.26	-101.92
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638828	0	31	-2.0	-87.73	305.48	-0.09	-87.82
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)N=C1Cl	REAL300019638829	0	31	-2.0	-99.87	309.63	-0.18	-100.05
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638830	0	39	-2.0	-99.93	348.43	-0.39	-100.32
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NON=C32)=C1	REAL300019638831	0	32	-2.0	-101.94	305.29	-0.27	-102.21
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300019638832	0	39	-2.0	-109.50	339.74	3.81	-105.69
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638833	0	32	-2.0	-88.40	311.67	-1.17	-89.57
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019638834	0	30	-2.0	-93.34	297.98	-1.17	-94.51
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638835	1	36	-2.0	-87.50	337.24	2.48	-85.02
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638836	0	37	-2.0	-89.16	327.25	1.77	-87.39
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638836	1	36	-3.0	-163.70	327.98	2.19	-161.51
CC1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C(=O)[O-])=C1F	REAL300019638838	0	37	-2.0	-98.57	345.18	2.21	-96.36
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C(=O)[O-])=C1F	REAL300019638838	1	36	-3.0	-163.85	342.75	2.21	-161.64
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638839	0	37	-2.0	-89.14	332.92	1.91	-87.23
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638840	0	37	-2.0	-104.50	348.35	2.09	-102.41
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300019638841	0	32	-2.0	-94.01	318.75	1.68	-92.33
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019638842	0	34	-2.0	-96.06	321.66	1.77	-94.29
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1[N+](=O)[O-]	REAL300019638843	0	37	-2.0	-87.01	344.97	1.73	-85.28
CC1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C(=O)[O-])=C1C	REAL300019638844	0	40	-2.0	-102.67	353.26	2.62	-100.05
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C(=O)[O-])=C1C	REAL300019638844	1	39	-3.0	-170.46	354.72	2.73	-167.73
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)=C1	REAL300019638845	0	34	-2.0	-93.84	334.78	2.49	-91.35
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1CC	REAL300019638846	1	43	-2.0	-98.54	366.51	3.56	-94.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638848	0	33	-3.0	-153.02	329.67	1.68	-151.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC([N+](=O)[O-])=C1F	REAL300019638849	1	36	-2.0	-87.86	342.49	2.32	-85.54
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1	REAL300019638850	0	30	-2.0	-94.62	308.41	0.44	-94.18
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638851	0	37	-2.0	-105.07	335.05	1.38	-103.69
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019638852	0	36	-2.0	-89.06	340.18	-0.18	-89.24
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)=C1	REAL300019638853	0	30	-2.0	-86.96	314.88	0.17	-86.79
CC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=C1C(=O)[O-]	REAL300019638854	0	40	-2.0	-103.56	353.49	2.97	-100.59
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300019638855	0	36	-3.0	-163.76	343.23	2.25	-161.51
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638856	0	36	-3.0	-172.83	342.95	2.25	-170.58
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638857	1	39	-2.0	-106.71	352.54	2.27	-104.44
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019638858	0	38	-2.0	-92.88	349.20	-1.40	-94.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C([N+](=O)[O-])=N1	REAL300019638859	0	36	-2.0	-102.66	339.77	1.82	-100.84
CCC1=CC=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300019638860	0	40	-2.0	-96.23	358.51	2.62	-93.61
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300019638860	1	39	-3.0	-167.79	352.15	2.74	-165.05
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1	REAL300019638861	0	42	-2.0	-94.39	366.63	-0.46	-94.85
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C#N	REAL300019638864	0	35	-2.0	-105.64	326.70	1.78	-103.86
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638865	0	37	-2.0	-85.34	338.01	1.06	-84.28
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019638866	0	40	-2.0	-96.56	362.44	2.64	-93.92
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638867	0	37	-2.0	-105.24	336.94	1.75	-103.49
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300019638868	0	39	-2.0	-93.02	347.51	-1.26	-94.28
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1F	REAL300019638870	0	34	-2.0	-102.46	315.25	1.71	-100.75
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019638871	0	37	-2.0	-90.67	338.48	-1.39	-92.06
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=C1	REAL300019638872	0	38	-2.0	-106.45	335.23	1.03	-105.42
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638873	1	38	-2.0	-96.68	344.53	0.73	-95.95
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638874	0	36	-2.0	-99.42	328.71	-2.01	-101.43
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1Cl	REAL300019638875	0	34	-2.0	-99.20	321.33	2.14	-97.06
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C(C)O1	REAL300019638877	0	34	-2.0	-94.78	312.43	0.58	-94.20
O=C1[N-]N=NN1C1=CC([N-]S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)=CC=C1	REAL300019638878	0	37	-2.0	-102.38	335.70	-1.34	-103.72
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638880	1	38	-2.0	-95.90	336.05	1.03	-94.87
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(=O)OC)O1	REAL300019638881	0	40	-2.0	-90.99	366.45	1.41	-89.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019638883	0	31	-2.0	-96.44	294.05	-0.19	-96.63
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638884	0	34	-2.0	-97.28	323.10	1.40	-95.88
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=C1	REAL300019638885	1	34	-2.0	-94.04	315.50	-0.35	-94.39
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C2=NC=CC=C2C=C1	REAL300019638886	0	39	-2.0	-111.63	343.26	2.81	-108.82
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=C1	REAL300019638887	0	37	-2.0	-105.05	338.74	3.00	-102.05
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638888	0	37	-2.0	-100.70	341.08	2.45	-98.25
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(F)=C2)=C1	REAL300019638889	0	33	-2.0	-84.81	322.20	1.68	-83.13
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1	REAL300019638890	0	31	-2.0	-88.69	312.59	1.58	-87.11
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C(C)O1	REAL300019638891	0	37	-2.0	-91.21	347.31	0.56	-90.65
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(Cl)=C2)=C1	REAL300019638892	0	30	-2.0	-88.73	301.20	-0.31	-89.04
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)N=C1C	REAL300019638893	0	37	-2.0	-105.69	334.99	0.79	-104.90
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638894	0	34	-2.0	-98.62	323.99	2.23	-96.39
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300019638895	0	37	-3.0	-164.74	345.94	1.78	-162.96
CCN1C=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300019638895	1	38	-2.0	-97.61	348.40	1.76	-95.85
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638896	0	34	-2.0	-95.40	329.33	-0.26	-95.66
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638897	0	43	-2.0	-97.21	365.59	1.57	-95.64
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1C	REAL300019638898	0	41	-2.0	-99.41	372.49	2.03	-97.38
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638899	1	39	-2.0	-92.31	351.48	3.05	-89.26
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)=C1	REAL300019638900	0	31	-2.0	-101.24	305.51	1.78	-99.46
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(Cl)=N1	REAL300019638901	0	33	-2.0	-96.46	319.35	0.31	-96.15
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638902	0	36	-2.0	-95.65	338.50	1.19	-94.46
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1Cl	REAL300019638903	1	35	-2.0	-93.51	344.65	2.46	-91.05
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019638904	0	33	-2.0	-92.91	319.46	-0.43	-93.34
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=C12	REAL300019638905	0	38	-2.0	-87.76	350.69	-1.30	-89.06
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019638906	0	33	-2.0	-91.73	328.75	1.36	-90.37
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CN=C1Cl	REAL300019638908	0	34	-2.0	-87.39	330.30	-1.04	-88.43
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=C1	REAL300019638909	0	33	-2.0	-87.02	324.17	0.23	-86.79
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638910	0	37	-2.0	-93.73	350.64	1.72	-92.01
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)=C1	REAL300019638911	0	34	-2.0	-94.60	334.83	-1.77	-96.37
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638912	0	46	-2.0	-96.01	387.80	2.45	-93.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=C1F	REAL300019638913	1	38	-2.0	-93.34	339.54	1.11	-92.23
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(Cl)=C1	REAL300019638914	0	32	-2.0	-90.58	323.34	1.95	-88.63
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=C1	REAL300019638915	0	34	-2.0	-105.47	317.38	1.31	-104.16
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638916	0	36	-2.0	-93.52	339.40	-0.15	-93.67
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Br)O2)=C1	REAL300019638917	0	28	-2.0	-90.82	293.83	-0.28	-91.10
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C(C2=CC=CC=C2)O1	REAL300019638918	0	40	-2.0	-107.84	365.49	-0.03	-107.87
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1[N+](=O)[O-]	REAL300019638919	1	39	-2.0	-94.69	348.77	2.97	-91.72
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638920	0	41	-2.0	-103.66	352.99	2.75	-100.91
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1	REAL300019638921	0	31	-2.0	-93.74	310.53	1.40	-92.34
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638925	0	31	-2.0	-90.57	318.42	1.21	-89.36
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(F)F)=C2)=C1	REAL300019638926	1	34	-2.0	-102.53	323.62	1.93	-100.60
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300019638927	0	34	-2.0	-93.70	327.38	-0.12	-93.82
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638928	0	35	-2.0	-103.16	325.54	2.06	-101.10
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)=C1	REAL300019638929	1	34	-2.0	-99.92	336.07	-1.91	-101.83
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300019638930	0	39	-2.0	-91.89	358.90	2.28	-89.61
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638931	1	40	-2.0	-99.28	343.46	2.99	-96.29
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=CS1	REAL300019638932	0	37	-2.0	-106.20	344.66	2.17	-104.03
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1F	REAL300019638933	1	35	-2.0	-90.35	325.19	0.37	-89.98
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C([N+](=O)[O-])SC=C2)=C1	REAL300019638934	0	30	-2.0	-103.16	302.15	1.39	-101.77
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CO2)=C1	REAL300019638935	0	28	-2.0	-95.14	272.13	-1.01	-96.15
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638936	0	30	-2.0	-85.19	283.91	-2.59	-87.78
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)=CN=C21	REAL300019638937	0	36	-2.0	-92.27	333.80	0.13	-92.14
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300019638938	0	30	-2.0	-88.45	310.62	0.76	-87.69
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638940	1	39	-2.0	-98.03	356.65	-0.78	-98.81
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=C1	REAL300019638941	0	35	-2.0	-98.81	317.43	0.43	-98.38
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638942	0	32	-2.0	-93.57	323.37	1.95	-91.62
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300019638943	0	34	-2.0	-95.26	333.41	0.06	-95.20
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638944	1	37	-2.0	-95.49	319.68	2.71	-92.78
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638945	0	39	-2.0	-110.02	343.43	1.51	-108.51
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638947	0	34	-2.0	-101.24	309.05	1.96	-99.28
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)=C1	REAL300019638948	0	35	-2.0	-110.02	327.84	1.07	-108.95
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638949	0	44	-2.0	-95.69	380.55	2.50	-93.19
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C12	REAL300019638950	0	39	-2.0	-112.51	347.34	2.17	-110.34
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638952	1	35	-2.0	-100.10	340.70	-1.72	-101.82
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300019638953	0	32	-2.0	-103.65	314.22	-0.69	-104.34
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638954	0	34	-2.0	-93.89	314.02	-1.53	-95.42
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC(N3N=N[N-]C3=O)=C1)OCO2	REAL300019638956	1	37	-2.0	-93.65	330.94	0.43	-93.22
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638958	0	37	-2.0	-95.49	339.83	2.27	-93.22
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019638959	1	41	-2.0	-96.76	360.13	0.85	-95.91
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638960	0	40	-2.0	-110.26	356.51	3.32	-106.94
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019638962	0	34	-2.0	-100.55	334.42	-1.52	-102.07
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019638962	1	33	-3.0	-157.88	331.11	-2.64	-160.52
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019638963	1	38	-2.0	-96.67	350.64	0.01	-96.66
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019638964	0	36	-2.0	-99.86	346.22	-3.39	-103.25
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638965	1	35	-2.0	-102.47	322.30	2.26	-100.21
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638966	1	35	-2.0	-101.61	331.70	2.15	-99.46
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2Cl)=C1	REAL300019638967	0	31	-2.0	-91.43	319.31	2.06	-89.37
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(N)=NO1	REAL300019638969	0	32	-2.0	-87.75	295.88	-1.61	-89.36
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019638970	0	35	-2.0	-99.69	334.44	1.31	-98.38
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CNC(C(F)(F)F)=C2)=C1	REAL300019638971	0	32	-2.0	-92.63	316.95	-0.22	-92.85
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638974	1	38	-2.0	-98.61	334.41	1.07	-97.54
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1Cl	REAL300019638975	1	38	-2.0	-93.58	350.02	1.64	-91.94
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019638977	0	29	-2.0	-88.13	301.95	0.55	-87.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019638978	0	33	-2.0	-94.40	306.05	-0.19	-94.59
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1	REAL300019638979	0	36	-2.0	-97.00	330.64	1.37	-95.63
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300019638980	0	37	-2.0	-95.80	349.70	1.72	-94.08
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019638981	0	37	-2.0	-91.52	348.77	1.68	-89.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1C#N	REAL300019638982	1	35	-2.0	-89.85	329.41	1.89	-87.96
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=C(Cl)C(F)=C2)=C1	REAL300019638983	0	30	-2.0	-83.76	307.19	-0.32	-84.08
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300019638985	0	35	-2.0	-98.71	324.43	0.36	-98.35
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1[N+](=O)[O-]	REAL300019638986	0	39	-2.0	-108.25	350.23	4.18	-104.07
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300019638987	1	37	-2.0	-96.65	350.46	2.78	-93.87
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1	REAL300019638989	1	34	-2.0	-94.76	321.65	1.87	-92.89
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300019638990	1	41	-2.0	-101.25	363.66	4.40	-96.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)N(C)N=C1	REAL300019638992	0	34	-2.0	-90.39	306.33	-0.55	-90.94
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019638994	0	29	-2.0	-88.90	293.38	-0.46	-89.36
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2)=C1	REAL300019638995	0	28	-2.0	-93.22	280.56	-0.10	-93.32
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=COC=C2)=C1	REAL300019638996	0	28	-2.0	-93.83	271.98	-1.12	-94.95
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019638997	0	42	-2.0	-104.77	372.78	0.51	-104.26
CC1=CC(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1C(=O)[O-]	REAL300019638998	0	37	-2.0	-95.31	336.38	2.11	-93.20
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1C(=O)[O-]	REAL300019638998	1	36	-3.0	-151.58	333.92	2.10	-149.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019638999	0	34	-2.0	-90.77	316.62	-2.32	-93.09
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)=C1	REAL300019639000	0	31	-2.0	-96.27	311.68	1.58	-94.69
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639002	0	42	-2.0	-95.62	368.03	2.14	-93.48
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639003	0	40	-2.0	-98.78	366.98	3.77	-95.01
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639004	0	40	-2.0	-98.36	362.81	3.48	-94.88
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C23)=C1	REAL300019639005	0	34	-2.0	-98.53	326.02	2.35	-96.18
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)N(C)N=C1	REAL300019639006	0	40	-2.0	-97.22	360.54	1.00	-96.22
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)=C2O1	REAL300019639007	0	42	-2.0	-108.75	367.32	2.20	-106.55
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=C1	REAL300019639008	0	34	-2.0	-101.33	316.06	-0.37	-101.70
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639009	1	37	-2.0	-89.36	343.67	2.76	-86.60
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639010	1	38	-2.0	-99.09	340.80	1.22	-97.87
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1	REAL300019639011	0	31	-2.0	-97.73	311.79	1.86	-95.87
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639012	1	37	-2.0	-120.52	333.85	-1.41	-121.93
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C=C1	REAL300019639013	1	40	-2.0	-99.44	356.75	3.92	-95.52
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)=C1	REAL300019639014	0	28	-2.0	-95.11	297.43	0.45	-94.66
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639015	0	31	-2.0	-95.43	303.02	0.66	-94.77
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2Cl)=C1	REAL300019639016	0	28	-2.0	-93.01	287.74	-2.20	-95.21
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)=C1	REAL300019639017	0	30	-2.0	-92.00	296.37	-0.90	-92.90
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639018	0	40	-2.0	-91.86	353.90	0.05	-91.81
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019639019	0	40	-2.0	-91.22	358.61	-0.46	-91.68
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300019639022	0	34	-2.0	-93.35	325.64	1.46	-91.89
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639023	0	36	-2.0	-104.87	336.45	-0.02	-104.89
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639024	0	30	-2.0	-89.99	297.94	-0.71	-90.70
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)N=S2(=O)CCCC2)=C1	REAL300019639026	1	35	-2.0	-121.34	320.60	-1.72	-123.06
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=C1	REAL300019639027	1	38	-2.0	-96.65	338.67	3.10	-93.55
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CS2)=C1	REAL300019639028	0	28	-2.0	-97.17	287.73	0.04	-97.13
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C2NC1=O	REAL300019639029	1	40	-2.0	-93.36	360.51	0.73	-92.63
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2OCC(F)F)=C1	REAL300019639030	0	37	-2.0	-109.08	350.28	-0.58	-109.66
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C(F)(F)F)=N1	REAL300019639031	0	34	-2.0	-96.94	328.09	-0.16	-97.10
O=C1[N-]N=NN1C1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=CC=C1	REAL300019639032	1	40	-2.0	-96.27	354.28	2.59	-93.68
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019639033	1	32	-2.0	-87.45	316.15	1.43	-86.02
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C(F)C=C1[N+](=O)[O-]	REAL300019639036	0	36	-2.0	-89.38	341.81	2.36	-87.02
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639037	0	37	-2.0	-98.74	337.47	1.93	-96.81
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639037	1	36	-3.0	-161.67	337.45	2.39	-159.28
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)=C1	REAL300019639038	0	32	-2.0	-95.41	322.34	0.29	-95.12
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639040	1	31	-2.0	-119.63	294.80	-3.07	-122.70
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1	REAL300019639041	0	31	-2.0	-88.53	322.02	1.19	-87.34
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=NC=CN2)=C1	REAL300019639042	0	28	-2.0	-97.25	271.08	-2.43	-99.68
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=C1	REAL300019639043	0	36	-2.0	-101.84	326.44	-2.10	-103.94
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019639044	0	34	-2.0	-97.06	319.06	1.61	-95.45
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CN=C1C	REAL300019639045	0	39	-2.0	-89.54	355.72	0.34	-89.20
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)=C1	REAL300019639046	0	32	-2.0	-86.72	312.83	-0.15	-86.87
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639047	0	33	-2.0	-88.12	317.00	0.38	-87.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1C(F)(F)F	REAL300019639048	1	37	-2.0	-89.98	343.87	2.50	-87.48
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639049	1	40	-2.0	-102.61	366.41	2.42	-100.19
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)=C1	REAL300019639050	1	33	-2.0	-87.68	329.20	0.86	-86.82
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1C	REAL300019639054	0	34	-2.0	-94.94	310.09	-0.78	-95.72
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019639055	1	35	-2.0	-97.24	320.55	2.09	-95.15
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639056	0	34	-2.0	-95.36	312.83	-0.65	-96.01
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639057	1	38	-2.0	-94.36	361.25	1.22	-93.14
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639058	0	31	-2.0	-88.14	305.31	-0.41	-88.55
O=C1[N-]N=NN1C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)=CC=C1	REAL300019639060	1	36	-2.0	-94.55	335.88	-1.81	-96.36
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)=C1	REAL300019639062	0	31	-2.0	-94.09	305.13	-1.48	-95.57
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=NN2C2=CC=CC=C2)=C1	REAL300019639063	0	37	-2.0	-91.34	335.75	0.92	-90.42
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1	REAL300019639065	0	39	-2.0	-88.08	360.60	-0.44	-88.52
O=C1[N-]N=NN1C1=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=CC=C1	REAL300019639066	1	38	-2.0	-102.27	345.45	0.74	-101.53
O=C1NC2=CC(F)=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2O1	REAL300019639067	0	34	-2.0	-93.05	326.66	-1.43	-94.48
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1Cl	REAL300019639068	1	35	-2.0	-90.88	334.99	0.85	-90.03
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019639069	0	35	-2.0	-104.85	341.04	-2.36	-107.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1F	REAL300019639070	0	33	-3.0	-171.99	321.57	1.59	-170.40
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Br)NC=N2)=C1	REAL300019639071	0	28	-2.0	-101.20	289.92	-1.07	-102.27
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=C1	REAL300019639072	0	33	-2.0	-107.30	320.65	0.42	-106.88
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=C1	REAL300019639073	1	36	-2.0	-99.58	325.27	0.84	-98.74
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)=C1	REAL300019639075	0	37	-2.0	-104.59	339.97	3.30	-101.29
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300019639076	0	34	-2.0	-100.65	329.61	0.07	-100.58
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639077	0	34	-2.0	-98.14	316.57	2.50	-95.64
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=C1	REAL300019639078	0	36	-2.0	-106.45	325.76	0.81	-105.64
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1	REAL300019639084	0	34	-2.0	-103.19	319.37	1.94	-101.25
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)=C1	REAL300019639085	0	30	-2.0	-89.59	314.49	0.19	-89.40
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C21	REAL300019639086	1	36	-2.0	-96.41	333.30	-0.55	-96.96
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300019639087	0	38	-2.0	-117.34	351.63	-0.29	-117.63
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300019639088	0	37	-2.0	-97.43	345.31	2.23	-95.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C(=O)[O-]	REAL300019639088	1	36	-3.0	-158.08	342.85	2.23	-155.85
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639090	0	35	-2.0	-99.90	324.11	0.85	-99.05
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300019639091	1	34	-2.0	-87.61	329.03	0.09	-87.52
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1[N+](=O)[O-]	REAL300019639092	1	39	-2.0	-95.28	351.86	2.81	-92.47
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1Cl	REAL300019639094	0	34	-2.0	-87.91	332.71	-1.78	-89.69
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639095	0	30	-2.0	-88.12	288.21	-1.10	-89.22
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1Cl	REAL300019639096	1	34	-2.0	-91.79	324.93	2.09	-89.70
O=C1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=C12	REAL300019639097	1	37	-2.0	-105.52	337.54	1.98	-103.54
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C([N+](=O)[O-])S1	REAL300019639098	0	33	-2.0	-103.10	324.03	2.19	-100.91
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639099	0	36	-2.0	-110.15	331.02	-2.97	-113.12
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2S1	REAL300019639100	1	34	-2.0	-91.78	331.45	-0.81	-92.59
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CN=C2F)=C1	REAL300019639101	0	30	-2.0	-99.37	289.95	-0.83	-100.20
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)N=C2)=C1	REAL300019639104	0	30	-2.0	-87.65	290.85	-0.85	-88.50
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=CS1	REAL300019639106	0	29	-2.0	-100.02	299.85	0.39	-99.63
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2)=C1	REAL300019639109	1	31	-2.0	-88.43	312.06	1.56	-86.87
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=C1	REAL300019639110	0	40	-2.0	-101.58	351.11	1.36	-100.22
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=C1	REAL300019639111	0	39	-2.0	-105.89	341.64	2.19	-103.70
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639112	0	41	-2.0	-97.17	365.24	-0.09	-97.26
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639118	1	38	-2.0	-107.01	345.37	-1.58	-108.59
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)NC1=O	REAL300019639119	0	34	-2.0	-100.85	317.85	-2.31	-103.16
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)N(C)N=C1	REAL300019639121	0	37	-2.0	-96.90	338.68	0.07	-96.83
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)N1C	REAL300019639124	0	34	-2.0	-96.47	308.75	-0.03	-96.50
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639125	1	44	-2.0	-96.87	379.49	2.66	-94.21
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019639128	0	36	-2.0	-100.83	337.24	3.11	-97.72
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CN1CC1CC1	REAL300019639129	0	44	-2.0	-105.87	383.56	2.78	-103.09
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019639130	0	37	-2.0	-92.01	346.89	0.37	-91.64
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=C1	REAL300019639131	0	34	-2.0	-93.76	329.20	0.50	-93.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=C1[N+](=O)[O-]	REAL300019639132	1	39	-2.0	-93.29	353.07	3.34	-89.95
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639133	0	34	-2.0	-84.40	331.06	-0.39	-84.79
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)=C1	REAL300019639134	0	30	-2.0	-92.64	306.83	-0.41	-93.05
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)=C1	REAL300019639135	1	41	-2.0	-107.56	355.55	4.39	-103.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(F)=C1F	REAL300019639137	0	34	-2.0	-99.55	321.57	1.77	-97.78
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)OC=C1	REAL300019639138	0	34	-2.0	-104.68	325.71	0.01	-104.67
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300019639140	0	33	-2.0	-108.92	317.81	-0.11	-109.03
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=N1	REAL300019639141	0	43	-2.0	-94.81	377.36	1.75	-93.06
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639142	0	32	-3.0	-160.05	314.90	-0.39	-160.44
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639143	0	35	-2.0	-95.90	322.20	1.14	-94.76
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019639144	1	43	-2.0	-94.03	367.67	3.24	-90.79
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639145	0	32	-2.0	-88.39	316.69	1.46	-86.93
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C(F)(F)F	REAL300019639146	0	34	-2.0	-91.99	322.57	-0.38	-92.37
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CNC3=NC=NC=C23)=C1	REAL300019639147	0	33	-2.0	-95.76	312.72	0.04	-95.72
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=NC=C23)=C1	REAL300019639147	1	33	-2.0	-108.03	312.61	0.18	-107.85
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1	REAL300019639148	0	35	-2.0	-104.08	323.19	0.96	-103.12
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639149	0	41	-2.0	-93.86	350.43	1.11	-92.75
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C(C)(C)C)=N1	REAL300019639150	0	43	-2.0	-94.27	357.87	1.61	-92.66
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=C1	REAL300019639152	0	41	-2.0	-94.39	356.88	1.34	-93.05
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639153	0	34	-2.0	-88.59	323.77	-0.11	-88.70
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=CC=C2O)=C1	REAL300019639155	0	32	-2.0	-94.32	305.63	-1.24	-95.56
O=C1[N-]N=NN1C1=CC=CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300019639155	1	32	-2.0	-86.48	304.85	-0.47	-86.95
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019639156	1	41	-2.0	-96.35	366.67	3.78	-92.57
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639157	0	34	-2.0	-110.29	321.71	-1.44	-111.73
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639158	0	37	-2.0	-95.05	332.30	0.15	-94.90
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019639159	0	36	-2.0	-96.49	335.23	1.49	-95.00
NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019639160	0	31	-2.0	-90.00	294.66	-1.65	-91.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C#N)=C1	REAL300019639161	0	35	-2.0	-103.62	328.95	1.94	-101.68
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639162	0	35	-2.0	-103.87	321.20	2.23	-101.64
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)=C1	REAL300019639163	1	34	-2.0	-92.59	328.66	1.94	-90.65
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019639165	1	38	-2.0	-100.27	353.21	2.96	-97.31
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639166	1	37	-2.0	-90.94	336.30	3.17	-87.77
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639167	0	31	-2.0	-87.35	308.70	-3.21	-90.56
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=NS2)=C1	REAL300019639169	0	27	-2.0	-89.68	276.19	-1.30	-90.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639172	0	37	-3.0	-156.02	346.12	1.35	-154.67
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639172	1	38	-2.0	-95.67	348.83	1.31	-94.36
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(N)=O)O1	REAL300019639173	0	35	-2.0	-94.83	328.96	-3.40	-98.23
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639174	1	40	-2.0	-95.89	341.17	3.50	-92.39
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)F)=C1	REAL300019639175	0	31	-2.0	-102.05	304.18	1.12	-100.93
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C(Cl)O1	REAL300019639177	0	30	-3.0	-150.96	318.06	0.53	-150.43
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=C1	REAL300019639178	0	36	-2.0	-105.43	325.69	1.49	-103.94
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639179	0	38	-2.0	-101.11	352.18	1.11	-100.00
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1F	REAL300019639180	0	32	-2.0	-99.64	315.25	1.42	-98.22
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL300019639181	0	30	-2.0	-98.66	288.24	-2.68	-101.34
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639182	0	34	-2.0	-87.97	344.01	0.27	-87.70
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=C1	REAL300019639183	0	38	-2.0	-94.77	339.35	0.68	-94.09
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=C1	REAL300019639184	0	38	-2.0	-91.82	336.74	0.87	-90.95
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=C1	REAL300019639185	0	41	-2.0	-92.66	359.01	1.52	-91.14
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=NN2C1	REAL300019639186	0	42	-2.0	-101.81	364.50	-0.99	-102.80
O=C1[N-]N=NN1C1=CC([N-]S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)=CC=C1	REAL300019639187	1	37	-2.0	-94.19	340.19	-1.77	-95.96
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Br)C=CO2)=C1	REAL300019639188	0	28	-2.0	-94.80	293.56	-0.42	-95.22
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019639189	1	35	-2.0	-87.20	335.32	0.54	-86.66
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=C1	REAL300019639190	0	38	-2.0	-96.70	332.36	1.06	-95.64
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1F	REAL300019639191	0	35	-2.0	-94.35	330.65	0.43	-93.92
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639192	0	41	-2.0	-101.61	363.90	2.39	-99.22
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639193	0	34	-2.0	-93.08	312.50	1.70	-91.38
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)=C2O1	REAL300019639194	0	39	-2.0	-107.28	346.62	1.57	-105.71
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019639195	0	39	-2.0	-93.87	358.12	0.66	-93.21
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)CC1	REAL300019639196	1	39	-2.0	-99.61	357.69	3.21	-96.40
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639197	0	35	-2.0	-98.62	329.41	1.61	-97.01
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2Cl)=C1	REAL300019639198	0	28	-2.0	-94.19	294.87	0.43	-93.76
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)=C1	REAL300019639199	0	33	-2.0	-87.68	323.61	0.19	-87.49
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639200	0	36	-2.0	-110.95	331.19	0.58	-110.37
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639201	0	33	-2.0	-85.63	303.38	-1.67	-87.30
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=C1	REAL300019639203	1	32	-2.0	-86.62	304.33	-0.22	-86.84
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=C1	REAL300019639204	0	34	-2.0	-98.58	328.30	2.42	-96.16
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)=C1	REAL300019639205	0	34	-2.0	-110.09	334.36	0.70	-109.39
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639206	0	38	-2.0	-90.84	340.38	0.76	-90.08
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=C1F	REAL300019639207	1	40	-2.0	-94.18	345.20	3.35	-90.83
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1OC	REAL300019639208	0	39	-2.0	-100.59	345.20	0.92	-99.67
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C23)=C1	REAL300019639209	0	34	-2.0	-99.11	319.22	1.28	-97.83
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1OC	REAL300019639210	0	39	-2.0	-104.69	348.87	1.32	-103.37
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C2CCCC2)=N1	REAL300019639211	0	44	-2.0	-98.58	378.23	1.90	-96.68
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CC=C2S1	REAL300019639212	0	35	-2.0	-100.76	340.30	2.93	-97.83
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C2CC2)=N1	REAL300019639213	0	38	-2.0	-97.63	344.75	0.92	-96.71
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1	REAL300019639214	1	35	-2.0	-96.44	328.70	0.58	-95.86
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)=C1	REAL300019639215	0	34	-2.0	-104.07	318.88	0.20	-103.87
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C=CC=C21	REAL300019639216	0	36	-2.0	-114.17	333.99	-0.61	-114.78
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)=C21	REAL300019639217	0	38	-2.0	-97.60	330.39	2.92	-94.68
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=CN=C1N	REAL300019639218	1	35	-2.0	-96.47	317.48	-1.30	-97.77
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639219	0	31	-2.0	-94.46	306.77	-3.14	-97.60
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)N=CN1	REAL300019639220	0	31	-2.0	-103.83	288.56	-0.91	-104.74
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C3C=COC3=C(F)C=C2)=C1	REAL300019639222	0	34	-2.0	-95.03	323.17	1.38	-93.65
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C2CCC2)=N1	REAL300019639223	0	41	-2.0	-97.95	360.97	1.39	-96.56
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)SC=C2)=C1	REAL300019639224	0	28	-2.0	-93.66	295.29	0.54	-93.12
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300019639225	0	41	-2.0	-95.17	363.42	1.63	-93.54
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1	REAL300019639226	0	35	-2.0	-100.00	326.19	2.19	-97.81
COC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C2=NC=CC=C2C=C1	REAL300019639227	0	40	-2.0	-120.77	354.90	2.20	-118.57
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639228	1	40	-2.0	-98.15	353.84	3.20	-94.95
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639229	0	37	-2.0	-91.27	347.07	-0.74	-92.01
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639230	0	32	-2.0	-99.27	313.96	1.34	-97.93
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639231	0	38	-2.0	-94.63	335.15	0.52	-94.11
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639233	1	37	-2.0	-96.06	319.11	2.63	-93.43
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639234	0	40	-2.0	-89.53	336.43	0.90	-88.63
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019639235	0	40	-2.0	-95.36	353.94	0.70	-94.66
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300019639236	0	38	-2.0	-95.16	338.01	0.08	-95.08
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019639237	0	42	-2.0	-94.29	363.71	1.81	-92.48
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)=C1	REAL300019639238	0	33	-2.0	-81.93	328.47	1.74	-80.19
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(CF)C=C2)=C1	REAL300019639239	1	34	-2.0	-96.26	317.45	1.82	-94.44
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(C(F)(F)F)SC=C2)=C1	REAL300019639240	0	31	-2.0	-95.51	310.98	1.37	-94.14
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=C2)=C1	REAL300019639241	0	31	-2.0	-88.94	321.20	1.10	-87.84
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639242	0	34	-2.0	-90.41	311.63	-0.79	-91.20
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1C	REAL300019639244	1	37	-2.0	-97.67	322.65	2.33	-95.34
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C(F)F)=C1	REAL300019639245	0	34	-2.0	-105.57	310.44	2.30	-103.27
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639246	1	42	-2.0	-106.18	374.03	3.03	-103.15
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019639248	1	40	-2.0	-97.31	367.89	2.65	-94.66
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1Cl	REAL300019639249	0	32	-2.0	-96.74	322.07	1.85	-94.89
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=C1	REAL300019639250	0	31	-2.0	-96.66	309.47	1.23	-95.43
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300019639251	1	38	-2.0	-98.16	338.68	3.10	-95.06
COC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=CS1	REAL300019639252	0	32	-2.0	-100.23	311.69	-0.56	-100.79
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639253	0	37	-2.0	-92.15	355.63	1.35	-90.80
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2F)=C1	REAL300019639254	0	38	-2.0	-99.84	344.17	3.17	-96.67
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1	REAL300019639255	0	41	-2.0	-92.19	354.20	1.61	-90.58
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639256	0	40	-2.0	-92.55	350.59	0.83	-91.72
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019639257	1	40	-2.0	-102.61	360.68	-1.49	-104.10
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)C2=N1	REAL300019639259	0	36	-2.0	-106.43	333.05	-0.65	-107.08
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019639260	0	34	-2.0	-96.36	315.53	0.59	-95.77
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)=C1	REAL300019639261	0	31	-2.0	-89.72	313.31	0.22	-89.50
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639262	0	35	-2.0	-92.86	330.40	0.91	-91.95
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639263	1	37	-2.0	-96.93	342.66	2.53	-94.40
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300019639264	1	35	-2.0	-96.44	328.71	0.57	-95.87
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019639265	0	32	-2.0	-93.67	313.23	-0.55	-94.22
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C2=NC=CC=C12	REAL300019639266	0	42	-2.0	-113.08	360.90	3.29	-109.79
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300019639268	0	34	-2.0	-92.07	322.12	-0.31	-92.38
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639269	1	41	-2.0	-98.90	366.37	1.69	-97.21
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639270	0	41	-2.0	-92.71	369.12	2.19	-90.52
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=C1	REAL300019639271	0	44	-2.0	-94.06	375.85	1.94	-92.12
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1	REAL300019639272	1	34	-2.0	-99.79	311.09	1.92	-97.87
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1	REAL300019639273	0	34	-2.0	-99.70	314.96	1.39	-98.31
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1	REAL300019639274	1	33	-2.0	-98.19	320.39	0.38	-97.81
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300019639275	0	33	-2.0	-94.49	310.16	-2.15	-96.64
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1Cl	REAL300019639276	0	34	-2.0	-92.29	331.14	-0.09	-92.38
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)O2)=C1	REAL300019639277	0	28	-2.0	-90.49	289.20	-0.39	-90.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CC=C12	REAL300019639278	1	40	-2.0	-105.59	348.22	3.84	-101.75
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)=C1	REAL300019639280	0	31	-2.0	-91.98	316.96	1.61	-90.37
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019639281	0	37	-2.0	-107.15	353.10	-2.72	-109.87
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C2=CC=CC=C2)=N1	REAL300019639282	0	41	-2.0	-99.95	366.87	2.42	-97.53
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1	REAL300019639284	0	35	-2.0	-96.67	333.27	2.31	-94.36
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1[N+](=O)[O-]	REAL300019639285	0	34	-2.0	-87.82	334.90	1.81	-86.01
CC1=COC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639287	0	31	-2.0	-95.66	294.03	-0.34	-96.00
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL300019639288	0	37	-2.0	-94.65	349.64	-1.20	-95.85
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1OC	REAL300019639289	0	36	-2.0	-97.47	342.41	-0.99	-98.46
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=C(F)C(Cl)=C2)=C1	REAL300019639290	0	30	-2.0	-83.49	307.08	-0.37	-83.86
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639291	0	37	-2.0	-95.15	333.85	0.94	-94.21
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C21	REAL300019639292	1	38	-2.0	-103.27	343.15	2.76	-100.51
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)=C1	REAL300019639293	0	28	-2.0	-86.03	314.53	1.09	-84.94
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1Cl	REAL300019639294	0	31	-2.0	-91.93	309.33	-0.96	-92.89
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1)C(F)F	REAL300019639295	1	36	-2.0	-93.87	342.14	1.67	-92.20
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639296	0	37	-2.0	-108.17	327.30	2.83	-105.34
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)OC=C1	REAL300019639297	0	29	-2.0	-95.58	292.12	-0.55	-96.13
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639298	0	33	-2.0	-87.93	317.19	0.39	-87.54
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639299	1	42	-2.0	-99.79	373.12	2.62	-97.17
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C2CC2)=N1	REAL300019639300	0	41	-2.0	-97.71	366.26	1.78	-95.93
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C2=NSN=C2C=C1	REAL300019639301	0	35	-2.0	-103.82	327.47	0.36	-103.46
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)NC(=O)N1	REAL300019639302	0	34	-2.0	-100.22	312.53	-3.28	-103.50
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639304	0	44	-2.0	-93.21	376.21	2.19	-91.02
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300019639305	0	28	-2.0	-93.13	288.24	-0.51	-93.64
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1	REAL300019639306	0	28	-2.0	-90.49	298.26	0.51	-89.98
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639307	0	39	-2.0	-92.29	341.73	-1.26	-93.55
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1	REAL300019639308	1	38	-2.0	-100.10	333.00	3.16	-96.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=N1	REAL300019639312	1	37	-2.0	-90.56	332.29	-1.56	-92.12
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639313	0	37	-2.0	-100.79	336.84	-1.17	-101.96
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639314	0	34	-2.0	-94.80	332.16	-1.33	-96.13
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C	REAL300019639315	0	37	-2.0	-91.69	336.76	-1.59	-93.28
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019639316	0	40	-2.0	-94.59	356.84	1.10	-93.49
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639317	0	40	-2.0	-95.60	353.05	0.73	-94.87
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=C1	REAL300019639318	0	30	-2.0	-93.48	316.79	-1.03	-94.51
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=CO1	REAL300019639319	0	29	-2.0	-96.76	292.41	-0.60	-97.36
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)SC=C1	REAL300019639320	0	29	-2.0	-96.98	301.50	0.32	-96.66
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639321	0	37	-2.0	-92.03	332.35	0.19	-91.84
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C	REAL300019639322	0	39	-2.0	-89.48	356.26	0.36	-89.12
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639323	0	34	-2.0	-102.12	331.29	2.81	-99.31
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1	REAL300019639324	0	38	-2.0	-90.60	341.66	1.11	-89.49
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300019639325	0	38	-2.0	-99.08	345.70	2.01	-97.07
COC1=NOC(CS(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639326	1	34	-2.0	-91.83	320.50	-2.65	-94.48
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1C(C)C	REAL300019639327	0	40	-2.0	-95.58	353.93	0.74	-94.84
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)=C1	REAL300019639328	1	38	-2.0	-102.18	349.33	3.19	-98.99
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=CC(C(F)F)=C2)=C1	REAL300019639329	0	33	-2.0	-96.73	318.68	0.11	-96.62
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)=C1	REAL300019639331	1	38	-2.0	-97.32	350.98	3.23	-94.09
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)=C1	REAL300019639332	0	35	-2.0	-98.76	339.90	1.46	-97.30
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC(O)=C2)=C1	REAL300019639333	1	32	-2.0	-97.61	300.48	-1.87	-99.48
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639334	1	40	-2.0	-100.90	354.33	2.67	-98.23
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=C2F)=C1	REAL300019639335	0	34	-2.0	-99.85	327.12	1.93	-97.92
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CSN=C2)=C1	REAL300019639336	0	27	-2.0	-87.90	275.10	-1.41	-89.31
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)=C1	REAL300019639337	0	35	-2.0	-106.06	337.34	0.26	-105.80
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)=C1	REAL300019639338	1	38	-2.0	-103.97	345.27	3.30	-100.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C(C(F)F)=C1	REAL300019639339	1	38	-2.0	-93.68	346.71	1.32	-92.36
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639340	0	36	-2.0	-103.77	330.24	0.58	-103.19
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019639341	0	37	-2.0	-112.71	338.79	2.53	-110.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C2=NC=CC=C12	REAL300019639342	0	39	-2.0	-112.95	347.18	2.16	-110.79
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(=O)[O-])O1	REAL300019639343	0	36	-3.0	-156.38	340.04	1.54	-154.84
CCC1=C(S(=O)(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(C(=O)[O-])O1	REAL300019639343	1	37	-2.0	-93.05	342.75	0.99	-92.06
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639344	0	44	-2.0	-105.91	378.89	3.00	-102.91
CC1=C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)C=C(Cl)S1	REAL300019639345	0	31	-2.0	-89.83	314.72	1.39	-88.44
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300019639346	0	27	-2.0	-92.03	276.03	-1.89	-93.92
O=C1[N-]N=NN1C1=CC=CC([N-]S(=O)(=O)C2=C3CCCCN3N=C2)=C1	REAL300019639347	0	38	-2.0	-96.58	335.17	0.31	-96.27
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019639348	0	34	-2.0	-101.58	316.36	1.73	-99.85
COC1=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1OC(C)C	REAL300019639419	0	46	-2.0	-94.56	399.35	1.88	-92.68
COC1=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1OC(C)C	REAL300019639419	1	46	-2.0	-94.51	399.42	1.89	-92.62
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1	REAL300019639428	0	41	-2.0	-102.81	366.52	-1.60	-104.41
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1	REAL300019639428	1	41	-2.0	-102.84	366.58	-1.58	-104.42
CC1=CC=C(NC(=O)C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C	REAL300019639468	0	42	-2.0	-91.02	376.84	0.63	-90.39
CC1=CC=C(NC(=O)C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C	REAL300019639468	1	42	-2.0	-91.03	376.91	0.64	-90.39
O=C([N-]NC(=O)C1=CC=C(Cl)C=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639501	0	32	-2.0	-90.47	330.22	2.16	-88.31
O=C([N-]NC(=O)C1=CC=C(Cl)C=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639501	1	32	-2.0	-90.42	330.29	2.16	-88.26
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1	REAL300019639511	0	43	-2.0	-102.97	385.95	2.91	-100.06
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1	REAL300019639511	1	43	-2.0	-103.01	386.01	2.92	-100.09
O=C([N-]NC(=O)C1=CC2=C(CCCCC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639540	0	42	-2.0	-96.22	374.03	3.40	-92.82
O=C([N-]NC(=O)C1=CC2=C(CCCCC2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639540	1	42	-2.0	-96.18	374.09	3.41	-92.77
CC1=CC=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639581	0	35	-2.0	-95.88	317.04	1.81	-94.07
CC1=CC=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639581	1	35	-2.0	-95.86	317.11	1.82	-94.04
COC1=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(OC)=C1OC	REAL300019639629	0	44	-2.0	-91.99	392.76	0.29	-91.70
COC1=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(OC)=C1OC	REAL300019639629	1	44	-2.0	-91.97	392.83	0.29	-91.68
O=C([N-]NC(=O)C1=CC=CC=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639631	0	32	-2.0	-100.03	305.54	1.22	-98.81
O=C([N-]NC(=O)C1=CC=CC=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639631	1	32	-2.0	-100.02	305.60	1.22	-98.80
O=C([N-]NC(=O)C1COC2=CC=CC=C2O1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639634	0	38	-2.0	-93.51	348.65	1.32	-92.19
O=C([N-]NC(=O)C1COC2=CC=CC=C2O1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639634	1	38	-2.0	-93.53	348.73	1.32	-92.21
N#CC1=CC=C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019639660	0	37	-2.0	-93.15	355.34	2.18	-90.97
N#CC1=CC=C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019639660	1	37	-2.0	-93.13	355.40	2.18	-90.95
CCOC1=CC=CC=C1OCC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639662	0	43	-2.0	-100.31	385.62	2.44	-97.87
CCOC1=CC=CC=C1OCC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639662	1	43	-2.0	-100.32	385.69	2.45	-97.87
COC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019639664	0	36	-2.0	-94.46	330.38	0.45	-94.01
COC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019639664	1	36	-2.0	-94.48	330.45	0.45	-94.03
CCC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019639731	0	38	-2.0	-95.61	343.86	2.58	-93.03
CCC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019639731	1	38	-2.0	-95.64	343.93	2.58	-93.06
O=C(COC1=CC=C(F)C=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639737	0	36	-2.0	-92.08	340.93	1.84	-90.24
O=C(COC1=CC=C(F)C=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639737	1	36	-2.0	-92.06	340.99	1.84	-90.22
CC1=CC=CC(OC(C)C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1C	REAL300019639741	0	45	-2.0	-95.38	389.02	3.60	-91.78
CC1=CC=CC(OC(C)C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1C	REAL300019639741	1	45	-2.0	-95.44	389.10	3.60	-91.84
CC(OC1=CC=CC=C1F)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639744	0	39	-2.0	-99.21	358.18	2.41	-96.80
CC(OC1=CC=CC=C1F)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639744	1	39	-2.0	-99.18	358.25	2.42	-96.76
O=C(CC1=CNC2=CC=CC=C12)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639747	0	39	-2.0	-97.67	357.51	1.92	-95.75
O=C(CC1=CNC2=CC=CC=C12)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639747	1	39	-2.0	-97.67	357.58	1.93	-95.74
CN1N=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C2C1=O	REAL300019639750	0	40	-2.0	-91.99	365.75	0.63	-91.36
CN1N=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C2C1=O	REAL300019639750	1	40	-2.0	-91.94	365.82	0.63	-91.31
O=C([N-]NC(=O)C1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639757	0	38	-2.0	-92.59	326.76	1.42	-91.17
O=C([N-]NC(=O)C1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639757	1	38	-2.0	-92.59	326.83	1.42	-91.17
O=C([N-]NC(=O)C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639863	0	32	-2.0	-96.26	300.98	1.14	-95.12
O=C([N-]NC(=O)C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639863	1	32	-2.0	-96.28	301.05	1.14	-95.14
O=C([N-]NC(=O)C1=NC2=CC=CC=C2C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639958	0	37	-2.0	-101.90	344.44	1.61	-100.29
O=C([N-]NC(=O)C1=NC2=CC=CC=C2C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639958	1	37	-2.0	-101.91	344.51	1.62	-100.29
O=C([N-]NC(=O)C1=CC=NC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639959	0	31	-2.0	-91.24	296.16	-0.61	-91.85
O=C([N-]NC(=O)C1=CC=NC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639959	1	31	-2.0	-91.22	296.23	-0.61	-91.83
O=C(CC1=CC=C(Cl)C=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639979	0	35	-2.0	-90.43	342.33	2.39	-88.04
O=C(CC1=CC=C(Cl)C=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639979	1	35	-2.0	-90.41	342.40	2.39	-88.02
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC=N1	REAL300019639982	0	34	-2.0	-115.36	311.93	2.56	-112.80
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CC=N1	REAL300019639982	1	34	-2.0	-115.04	312.41	2.54	-112.50
O=C([N-]NC(=O)C1=CC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639983	0	31	-2.0	-99.54	298.19	-0.53	-100.07
O=C([N-]NC(=O)C1=CC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639983	1	31	-2.0	-99.49	298.25	-0.53	-100.02
O=C([N-]NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639986	0	34	-2.0	-94.35	329.17	1.80	-92.55
O=C([N-]NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639986	1	34	-2.0	-94.34	329.24	1.80	-92.54
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=C(Br)S1	REAL300019639996	0	29	-2.0	-92.37	304.58	1.24	-91.13
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=C(Br)S1	REAL300019639996	1	29	-2.0	-92.36	304.63	1.25	-91.11
O=C([N-]NC(=O)C1=CC=C(Br)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639997	0	29	-2.0	-90.07	314.76	0.90	-89.17
O=C([N-]NC(=O)C1=CC=C(Br)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639997	1	29	-2.0	-90.06	314.83	0.90	-89.16
CC1CCC2=C(C=C(C(=O)N[N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)S2)C1	REAL300019640004	0	42	-2.0	-95.50	377.54	3.39	-92.11
CC1CCC2=C(C=C(C(=O)N[N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)S2)C1	REAL300019640004	1	42	-2.0	-95.50	377.61	3.40	-92.10
CC1=CC=C(SCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019640007	0	39	-2.0	-92.30	365.52	3.00	-89.30
CC1=CC=C(SCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019640007	1	39	-2.0	-92.30	365.59	3.01	-89.29
CC1=C(C(=O)[N-]NC(=O)CCCC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300019640008	1	41	-2.0	-98.12	374.68	3.04	-95.08
CC1=C(C(=O)[N-]NC(=O)CCCC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300019640008	1	41	-2.0	-98.08	374.62	3.02	-95.06
CCOC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1OC	REAL300019640038	0	43	-2.0	-94.57	381.45	1.28	-93.29
CCOC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1OC	REAL300019640038	1	43	-2.0	-94.60	381.52	1.27	-93.33
CCCOC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1OC	REAL300019640041	0	46	-2.0	-94.15	402.95	2.08	-92.07
CCCOC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1OC	REAL300019640041	1	46	-2.0	-94.15	403.01	2.07	-92.08
CCN1C(C)=NC2=CC(C(=O)N[N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C21	REAL300019640097	0	44	-2.0	-103.24	390.47	3.15	-100.09
CCN1C(C)=NC2=CC(C(=O)N[N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C21	REAL300019640097	1	44	-2.0	-103.24	390.54	3.15	-100.09
CCOC1=CC=C(OC(C)C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019640108	0	46	-2.0	-94.44	402.50	2.57	-91.87
CCOC1=CC=C(OC(C)C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019640108	1	46	-2.0	-94.49	402.57	2.58	-91.91
CC1=CC=C(C)C(NC(=S)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019640137	0	40	-2.0	-82.37	365.40	4.73	-77.64
CC1=CC=C(C)C(NC(=S)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019640137	1	40	-2.0	-82.37	365.46	4.72	-77.65
CC1=CC=CC(NC(=S)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1C	REAL300019640139	0	40	-2.0	-82.23	360.96	4.57	-77.66
CC1=CC=CC(NC(=S)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1C	REAL300019640139	1	40	-2.0	-82.21	361.03	4.59	-77.62
CC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)=C1	REAL300019640141	0	40	-2.0	-82.06	365.36	4.71	-77.35
CC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)=C1	REAL300019640141	1	40	-2.0	-82.03	365.43	4.72	-77.31
CC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C	REAL300019640160	0	40	-2.0	-82.17	362.39	4.34	-77.83
CC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C	REAL300019640160	1	40	-2.0	-82.11	362.45	4.34	-77.77
C=CCNC(=S)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640162	0	31	-2.0	-79.05	303.79	1.09	-77.96
C=CCNC(=S)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640162	1	31	-2.0	-79.06	303.86	1.09	-77.97
COC1=CC=CC=C1NC(=S)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640164	0	38	-2.0	-85.09	353.49	2.56	-82.53
COC1=CC=CC=C1NC(=S)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640164	1	38	-2.0	-85.11	353.56	2.56	-82.55
CCOC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019640166	0	41	-2.0	-80.45	375.36	3.34	-77.11
CCOC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019640166	1	41	-2.0	-80.42	375.42	3.35	-77.07
CC(C)NC(=S)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640167	0	33	-2.0	-79.61	309.90	1.22	-78.39
CC(C)NC(=S)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640167	1	33	-2.0	-79.62	309.97	1.23	-78.39
CC1=CC(OCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(C)=C1	REAL300019640171	0	42	-2.0	-95.16	377.33	3.10	-92.06
CC1=CC(OCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(C)=C1	REAL300019640171	1	42	-2.0	-95.16	377.40	3.10	-92.06
COC1=CC=CC=C1OCC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640173	0	40	-2.0	-99.91	363.76	1.52	-98.39
COC1=CC=CC=C1OCC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640173	1	40	-2.0	-99.90	363.83	1.53	-98.37
O=C([N-]NC(=O)NC1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640175	0	40	-2.0	-84.13	342.76	0.50	-83.63
O=C([N-]NC(=O)NC1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640175	1	40	-2.0	-84.12	342.83	0.52	-83.60
CC1=CC=C(C)C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019640179	0	42	-2.0	-94.94	376.00	3.15	-91.79
CC1=CC=C(C)C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019640179	1	42	-2.0	-94.95	376.07	3.15	-91.80
CC1=CC=C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C	REAL300019640181	0	42	-2.0	-95.37	372.92	2.98	-92.39
CC1=CC=C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C	REAL300019640181	1	42	-2.0	-95.39	372.99	2.98	-92.41
CC1=CC=CC(NC(=S)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019640184	0	37	-2.0	-81.59	345.39	3.80	-77.79
CC1=CC=CC(NC(=S)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019640184	1	37	-2.0	-81.57	345.46	3.80	-77.77
CC1=CC=C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019640202	0	39	-2.0	-94.69	355.92	2.45	-92.24
CC1=CC=C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019640202	1	39	-2.0	-94.66	355.99	2.45	-92.21
CCC1=NC2=CC=CC=C2N1CC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640211	0	44	-2.0	-96.28	391.85	3.25	-93.03
CCC1=NC2=CC=CC=C2N1CC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640211	1	44	-2.0	-96.31	391.92	3.26	-93.05
O=C([N-]NC(=S)NC1=CC=CC(Cl)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640220	0	34	-2.0	-79.78	340.72	3.63	-76.15
O=C([N-]NC(=S)NC1=CC=CC(Cl)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640220	1	34	-2.0	-79.74	340.79	3.64	-76.10
CC(C)CCOC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019640222	0	48	-2.0	-93.65	412.80	3.49	-90.16
CC(C)CCOC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019640222	1	48	-2.0	-93.60	412.87	3.49	-90.11
O=C(CC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640226	0	35	-2.0	-92.70	325.59	1.87	-90.83
O=C(CC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640226	1	35	-2.0	-92.71	325.66	1.87	-90.84
COC1=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(OC)=C1	REAL300019640248	0	40	-2.0	-98.16	359.92	-0.25	-98.41
COC1=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(OC)=C1	REAL300019640248	1	40	-2.0	-98.15	359.98	-0.25	-98.40
O=C([N-]NC(=O)C12CC3CC(CC(C3)C1)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640254	0	46	-2.0	-96.03	365.78	3.06	-92.97
O=C([N-]NC(=O)C12CC3CC(CC(C3)C1)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640254	1	46	-2.0	-95.99	365.85	3.06	-92.93
O=C(CN1CCCC2=CC=CC=C21)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640257	0	44	-2.0	-92.86	371.23	1.46	-91.40
O=C(CN1CCCC2=CC=CC=C21)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640257	1	44	-2.0	-92.79	371.30	1.48	-91.31
O=C(CSC1=CC=C(Cl)C=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640259	0	36	-2.0	-89.81	360.85	2.85	-86.96
O=C(CSC1=CC=C(Cl)C=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640259	1	36	-2.0	-89.79	360.91	2.85	-86.94
O=C(CC12CC3CC(CC(C3)C1)C2)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640262	0	49	-2.0	-93.48	380.54	3.77	-89.71
O=C(CC12CC3CC(CC(C3)C1)C2)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640262	1	49	-2.0	-93.48	380.60	3.77	-89.71
CCCCC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019640264	0	46	-2.0	-80.68	409.87	6.14	-74.54
CCCCC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019640264	1	46	-2.0	-80.62	409.94	6.14	-74.48
O=C([N-]NC(=O)C1=CC=CC(Cl)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640267	0	32	-2.0	-93.27	317.71	1.65	-91.62
O=C([N-]NC(=O)C1=CC=CC(Cl)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640267	1	32	-2.0	-93.25	317.78	1.65	-91.60
CC1=CC=C(C(C)C)C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019640271	0	48	-2.0	-95.95	414.54	4.41	-91.54
CC1=CC=C(C(C)C)C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019640271	1	48	-2.0	-95.96	414.61	4.41	-91.55
O=C(CC1=CN2C=CSC2=N1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640274	0	35	-2.0	-106.34	342.19	1.70	-104.64
CC1=CC=C(NC(=O)C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019640294	0	39	-2.0	-90.47	359.55	0.11	-90.36
CC1=CC=C(NC(=O)C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019640294	1	39	-2.0	-90.44	359.62	0.11	-90.33
O=C([N-]NC(=O)C1=CN=CN1C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640344	0	39	-2.0	-95.59	359.43	3.61	-91.98
O=C([N-]NC(=O)C1=CN=CN1C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640344	1	39	-2.0	-95.60	359.49	3.61	-91.99
O=C([N-]NC(=O)C1=CNC2=CC=CC=C12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640361	0	36	-2.0	-102.04	333.39	1.15	-100.89
O=C([N-]NC(=O)C1=CNC2=CC=CC=C12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640361	1	36	-2.0	-102.03	333.46	1.15	-100.88
CN(C)C1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019640368	0	40	-2.0	-98.12	353.46	1.55	-96.57
CN(C)C1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019640368	1	40	-2.0	-98.11	353.53	1.55	-96.56
COCCCNC(=S)N(C)[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640488	0	40	-2.0	-92.14	360.94	1.35	-90.79
COCCCNC(=S)N(C)[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640488	1	40	-2.0	-92.10	361.01	1.36	-90.74
CN1C=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640515	0	33	-2.0	-95.83	306.42	0.58	-95.25
CN1C=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640515	1	33	-2.0	-95.84	306.49	0.60	-95.24
O=C([N-]N1C=NC2=C(C3=C(CCCC3)S2)C1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640583	0	40	-2.0	-92.30	359.46	4.28	-88.02
O=C([N-]N1C=NC2=C(C3=C(CCCC3)S2)C1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640583	1	40	-2.0	-92.27	359.53	4.30	-87.97
CC1=C(C)C2=C(N=CN([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=O)S1	REAL300019640585	0	36	-2.0	-90.83	336.44	3.07	-87.76
CC1=C(C)C2=C(N=CN([N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=O)S1	REAL300019640585	1	36	-2.0	-90.79	336.51	3.08	-87.71
CCC1=CC=CC(C)=C1NC(=S)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640672	0	43	-2.0	-82.47	378.68	4.90	-77.57
CCC1=CC=CC(C)=C1NC(=S)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640672	1	43	-2.0	-82.48	378.76	4.89	-77.59
CC(C)(C)NC(=S)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640845	0	36	-2.0	-78.48	320.58	1.02	-77.46
CC(C)(C)NC(=S)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640845	1	36	-2.0	-78.45	320.64	1.03	-77.42
CC1=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N2C=CC=CC2=N1	REAL300019640880	0	38	-2.0	-98.61	352.82	2.03	-96.58
CC1=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N2C=CC=CC2=N1	REAL300019640880	1	38	-2.0	-98.62	352.88	2.03	-96.59
O=C([N-]NC(=O)C1=CC(Br)=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640892	0	30	-2.0	-91.49	309.78	-0.41	-91.90
O=C([N-]NC(=O)C1=CC(Br)=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640892	1	30	-2.0	-91.51	309.85	-0.40	-91.91
O=C([N-]NC(=O)C1CCS(=O)(=O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640894	0	35	-2.0	-95.54	329.41	-3.23	-98.77
O=C([N-]NC(=O)C1CCS(=O)(=O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640894	1	35	-2.0	-95.54	329.47	-3.23	-98.77
CC(C)NC(=O)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640903	0	35	-2.0	-89.90	324.98	-2.62	-92.52
CC(C)NC(=O)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640903	1	35	-2.0	-89.91	325.05	-2.62	-92.53
O=C([N-]NC(=O)C1=CC=C2OCCOC2=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019641076	0	38	-2.0	-96.41	345.44	0.31	-96.10
O=C([N-]NC(=O)C1=CC=C2OCCOC2=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019641076	1	38	-2.0	-96.39	345.50	0.30	-96.09
O=C([N-]NC(=O)C1=CC(C2=CC=CC=C2)=NN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019641092	0	39	-2.0	-90.28	362.43	1.21	-89.07
O=C([N-]NC(=O)C1=CC(C2=CC=CC=C2)=NN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019641092	1	39	-2.0	-90.29	362.49	1.21	-89.08
O=C([N-]NC(=O)C1=CC=CC=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019641109	0	32	-2.0	-96.50	313.51	1.64	-94.86
O=C([N-]NC(=O)C1=CC=CC=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019641109	1	32	-2.0	-96.47	313.58	1.65	-94.82
CC(C)(C)OC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019641111	0	35	-2.0	-85.41	311.01	-0.54	-85.95
CC(C)(C)OC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019641111	1	35	-2.0	-85.40	311.08	-0.54	-85.94
COC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1OC	REAL300019641122	0	40	-2.0	-94.78	359.59	0.36	-94.42
COC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1OC	REAL300019641122	1	40	-2.0	-94.81	359.66	0.36	-94.45
O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019641159	0	40	-2.0	-99.74	342.01	1.48	-98.26
O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019641159	1	40	-2.0	-99.75	342.08	1.48	-98.27
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019641378	0	37	-2.0	-110.40	334.06	1.98	-108.42
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019641378	1	37	-2.0	-110.40	334.13	1.97	-108.43
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019641397	0	37	-2.0	-115.08	352.28	1.19	-113.89
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019641397	1	37	-2.0	-115.00	352.35	1.18	-113.82
CCOC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC(Cl)=C1[O-]	REAL300019641445	1	37	-2.0	-97.70	341.00	4.42	-93.28
CCOC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC(Cl)=C1[O-]	REAL300019641445	1	37	-2.0	-97.58	341.06	4.41	-93.17
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019641739	0	37	-2.0	-102.95	340.75	2.04	-100.91
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019641739	1	37	-2.0	-102.88	340.82	2.03	-100.85
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019642285	1	40	-2.0	-111.12	355.73	2.64	-108.48
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019642285	1	40	-2.0	-111.05	355.80	2.64	-108.41
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)[N-]1	REAL300019642307	1	41	-2.0	-102.39	367.71	2.98	-99.41
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)[N-]1	REAL300019642307	1	41	-2.0	-102.40	367.78	2.97	-99.43
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=C2[N-]C1=S	REAL300019642425	0	38	-2.0	-99.43	347.45	5.24	-94.19
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=C2[N-]C1=S	REAL300019642425	1	38	-2.0	-99.50	347.38	5.25	-94.25
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019642450	1	36	-2.0	-123.61	349.34	6.29	-117.32
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019642450	1	36	-2.0	-123.59	349.41	6.28	-117.31
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019642502	1	42	-2.0	-94.80	378.15	7.80	-87.00
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019642502	1	42	-2.0	-94.77	378.21	7.79	-86.98
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019642503	0	38	-2.0	-109.47	351.06	5.72	-103.75
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019642503	1	38	-2.0	-109.44	351.12	5.71	-103.73
CCN1C(=O)C2=CC=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=C2[N-]C1=S	REAL300019642529	0	41	-2.0	-99.84	368.67	6.17	-93.67
CCN1C(=O)C2=CC=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=C2[N-]C1=S	REAL300019642529	1	41	-2.0	-99.80	368.73	6.16	-93.64
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019642543	0	41	-2.0	-104.45	371.64	6.16	-98.29
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019642543	1	41	-2.0	-104.32	371.70	6.15	-98.17
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019642577	1	42	-2.0	-127.54	378.00	7.79	-119.75
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019642577	1	42	-2.0	-127.51	378.06	7.78	-119.73
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019642614	1	36	-2.0	-127.62	317.84	6.61	-121.01
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019642614	1	36	-2.0	-127.57	317.90	6.62	-120.95
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(Br)=CC=C1[O-]	REAL300019642619	1	30	-2.0	-113.73	293.10	4.96	-108.77
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(Br)=CC=C1[O-]	REAL300019642619	1	30	-2.0	-113.73	293.16	4.96	-108.77
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019642620	0	30	-2.0	-113.79	288.54	4.85	-108.94
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019642620	1	30	-2.0	-113.76	288.60	4.84	-108.92
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019642628	0	30	-2.0	-116.96	288.53	4.86	-112.10
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019642628	1	30	-2.0	-116.95	288.59	4.85	-112.10
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019642629	0	30	-2.0	-93.66	289.95	3.39	-90.27
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019642629	1	30	-2.0	-93.62	290.02	3.38	-90.24
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019642633	1	36	-2.0	-124.66	316.46	6.68	-117.98
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019642633	1	36	-2.0	-124.66	316.53	6.67	-117.99
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019642636	0	32	-2.0	-91.61	299.96	4.61	-87.00
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019642636	1	32	-2.0	-91.56	300.02	4.60	-86.96
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019642757	1	43	-2.0	-89.85	381.61	1.10	-88.75
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300019642757	1	43	-2.0	-89.88	381.54	1.11	-88.77
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019642769	1	34	-2.0	-89.11	326.84	-1.35	-90.46
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300019642769	1	34	-2.0	-89.15	326.78	-1.33	-90.48
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019642834	0	37	-2.0	-98.68	331.88	0.14	-98.54
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019642834	1	37	-2.0	-98.61	331.94	0.13	-98.48
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019643142	1	43	-2.0	-113.07	377.31	3.64	-109.43
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019643142	1	43	-2.0	-113.05	377.38	3.64	-109.41
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019643477	1	40	-2.0	-112.42	355.81	2.86	-109.56
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019643477	1	40	-2.0	-112.41	355.88	2.85	-109.56
CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019643509	1	39	-2.0	-120.85	360.54	6.30	-114.55
CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019643509	1	39	-2.0	-120.82	360.61	6.30	-114.52
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019643537	1	35	-2.0	-100.56	318.62	1.50	-99.06
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019643537	1	35	-2.0	-100.53	318.68	1.49	-99.04
CC1=C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019643562	0	42	-2.0	-133.96	375.17	2.18	-131.78
CC1=C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019643562	1	42	-2.0	-133.89	375.23	2.17	-131.72
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019643710	1	41	-2.0	-102.12	354.55	2.78	-99.34
O=C(CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)[N-]C1=NN=C(C2CC2)O1	REAL300019643732	0	41	-2.0	-104.50	367.85	-1.46	-105.96
O=C(CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)[N-]C1=NN=C(C2CC2)O1	REAL300019643732	1	41	-2.0	-104.44	367.92	-1.46	-105.90
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019643882	0	34	-2.0	-109.67	315.93	1.79	-107.88
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019643882	1	34	-2.0	-109.65	315.99	1.78	-107.87
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019644059	1	39	-2.0	-121.14	349.92	1.87	-119.27
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019644059	1	39	-2.0	-121.13	349.86	1.88	-119.25
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=CC2=O)C=C1	REAL300019644235	0	40	-2.0	-102.67	354.75	5.24	-97.43
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=CC2=O)C=C1	REAL300019644235	1	40	-2.0	-102.63	354.82	5.23	-97.40
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019644261	0	32	-2.0	-100.46	306.98	2.22	-98.24
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019644261	1	32	-2.0	-100.38	307.04	2.21	-98.17
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019644369	0	38	-2.0	-98.20	338.84	2.54	-95.66
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019644369	1	38	-2.0	-98.21	338.78	2.55	-95.66
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=N2)C=C1	REAL300019644373	0	41	-2.0	-123.45	364.27	3.40	-120.05
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=N2)C=C1	REAL300019644373	1	41	-2.0	-123.48	364.20	3.41	-120.07
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019644374	0	37	-2.0	-119.89	341.13	4.18	-115.71
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019644374	1	37	-2.0	-119.81	341.19	4.16	-115.65
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=CC2=O)=N1	REAL300019644375	0	41	-2.0	-110.22	370.26	5.63	-104.59
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=CC2=O)=N1	REAL300019644375	1	41	-2.0	-110.16	370.33	5.63	-104.53
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019644376	0	37	-2.0	-127.61	339.23	4.27	-123.34
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019644376	1	37	-2.0	-127.57	339.29	4.25	-123.32
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019644470	0	29	-2.0	-91.12	312.51	2.77	-88.35
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019644470	1	29	-2.0	-91.07	312.57	2.77	-88.30
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019644503	0	40	-2.0	-121.10	362.39	5.12	-115.98
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019644503	1	40	-2.0	-121.11	362.45	5.12	-115.99
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=N2)C=C1	REAL300019644622	0	46	-2.0	-123.78	394.92	6.04	-117.74
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=N2)C=C1	REAL300019644622	1	46	-2.0	-123.72	394.98	6.03	-117.69
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019644698	0	32	-2.0	-89.13	302.18	3.47	-85.66
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019644698	1	32	-2.0	-89.12	302.24	3.46	-85.66
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300019644742	0	43	-2.0	-101.92	388.33	3.00	-98.92
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300019644742	1	43	-2.0	-101.94	388.27	3.01	-98.93
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NNC(=O)[N-]C1=O	REAL300019644784	0	28	-2.0	-102.91	268.54	-2.86	-105.77
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NNC(=O)[N-]C1=O	REAL300019644784	1	28	-2.0	-102.86	268.60	-2.87	-105.73
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(Br)=C1[O-]	REAL300019644799	0	30	-2.0	-116.93	292.29	4.97	-111.96
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(Br)=C1[O-]	REAL300019644799	1	30	-2.0	-116.98	292.22	4.98	-112.00
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C([O-])=C1	REAL300019644803	1	48	-2.0	-138.50	398.01	3.97	-134.53
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C([O-])=C1	REAL300019644803	1	48	-2.0	-138.45	398.08	3.96	-134.49
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C([O-])=C1	REAL300019644804	1	47	-2.0	-132.38	393.56	4.62	-127.76
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C([O-])=C1	REAL300019644804	1	47	-2.0	-132.30	393.62	4.61	-127.69
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019644814	0	32	-2.0	-125.57	297.82	5.59	-119.98
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019644814	1	32	-2.0	-125.51	297.88	5.59	-119.92
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019644881	0	32	-2.0	-103.83	299.98	5.01	-98.82
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019644881	1	32	-2.0	-103.76	300.04	5.00	-98.76
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Br)C=C1[O-]	REAL300019644882	0	30	-2.0	-116.88	293.09	4.97	-111.91
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Br)C=C1[O-]	REAL300019644882	1	30	-2.0	-116.83	293.16	4.96	-111.87
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019645133	0	30	-2.0	-118.15	287.84	4.87	-113.28
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019645133	1	30	-2.0	-118.11	287.90	4.86	-113.25
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019645178	1	33	-2.0	-115.24	310.48	5.35	-109.89
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019645178	1	33	-2.0	-115.17	310.54	5.34	-109.83
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019646241	0	32	-2.0	-103.86	307.03	2.21	-101.65
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019646241	1	32	-2.0	-103.83	307.10	2.20	-101.63
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019646324	0	35	-2.0	-124.04	314.29	4.98	-119.06
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019646324	1	35	-2.0	-124.04	314.35	4.97	-119.07
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019646501	0	37	-2.0	-122.37	351.45	4.63	-117.74
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019646501	1	37	-2.0	-122.34	351.52	4.62	-117.72
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019646502	0	37	-2.0	-123.11	344.48	4.16	-118.95
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019646502	1	37	-2.0	-123.09	344.54	4.14	-118.95
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019646610	0	35	-2.0	-98.59	316.79	2.34	-96.25
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019646610	1	35	-2.0	-98.58	316.85	2.33	-96.25
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019646717	0	37	-2.0	-124.43	334.52	4.11	-120.32
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019646717	1	37	-2.0	-124.47	334.45	4.12	-120.35
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019646816	0	35	-2.0	-119.13	326.00	-0.71	-119.84
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019646816	1	35	-2.0	-119.19	325.94	-0.70	-119.89
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019646929	0	33	-2.0	-118.66	308.97	5.38	-113.28
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019646929	1	33	-2.0	-118.61	309.04	5.36	-113.25
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019646932	0	35	-2.0	-108.93	323.22	2.58	-106.35
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019646932	1	35	-2.0	-108.92	323.29	2.56	-106.36
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019647011	0	32	-2.0	-114.85	314.53	6.11	-108.74
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019647011	1	32	-2.0	-114.73	314.60	6.11	-108.62
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019648232	0	30	-2.0	-93.55	298.91	-0.66	-94.21
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019648232	1	30	-2.0	-93.50	298.98	-0.66	-94.16
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NC=C(Br)C=C1[O-]	REAL300019648276	0	29	-2.0	-109.67	290.35	3.23	-106.44
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NC=C(Br)C=C1[O-]	REAL300019648276	1	29	-2.0	-109.67	290.41	3.22	-106.45
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019648472	0	34	-2.0	-93.92	340.40	3.23	-90.69
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019648472	1	34	-2.0	-93.93	340.46	3.22	-90.71
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019648489	0	30	-2.0	-109.94	304.56	5.38	-104.56
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019648489	1	30	-2.0	-109.92	304.62	5.37	-104.55
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019648496	0	35	-2.0	-113.34	315.26	4.81	-108.53
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019648496	1	35	-2.0	-113.33	315.32	4.80	-108.53
CC(C)CN1[N-]C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC1=O	REAL300019648607	0	42	-2.0	-113.81	359.63	3.85	-109.96
CC(C)CN1[N-]C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC1=O	REAL300019648607	1	42	-2.0	-113.75	359.69	3.85	-109.90
COC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019648670	0	36	-2.0	-95.44	329.12	4.44	-91.00
COC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019648670	1	36	-2.0	-95.42	329.18	4.43	-90.99
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019648671	0	30	-2.0	-119.01	294.17	4.91	-114.10
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019648671	1	30	-2.0	-118.97	294.24	4.90	-114.07
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019648711	0	30	-2.0	-91.67	289.99	3.36	-88.31
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019648711	1	30	-2.0	-91.61	290.06	3.33	-88.28
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)O2)[N-]1	REAL300019648832	1	36	-2.0	-92.07	335.41	3.16	-88.91
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)O2)[N-]1	REAL300019648832	1	36	-2.0	-92.08	335.47	3.15	-88.93
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C([O-])C=CC2=CC=CC=C21	REAL300019648934	1	36	-2.0	-121.85	322.65	4.92	-116.93
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C([O-])C=CC2=CC=CC=C21	REAL300019648934	1	36	-2.0	-121.84	322.72	4.91	-116.93
CCOC(=O)C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N[N-]1	REAL300019649007	0	35	-2.0	-95.37	324.59	2.67	-92.70
CCOC(=O)C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N[N-]1	REAL300019649007	1	35	-2.0	-95.40	324.53	2.67	-92.73
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019649007	1	35	-2.0	-95.22	324.62	2.67	-92.55
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019649007	1	35	-2.0	-95.25	324.56	2.68	-92.57
COCC1=NC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)[N-]1	REAL300019649138	1	35	-2.0	-87.91	315.26	0.08	-87.83
COCC1=NC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)[N-]1	REAL300019649138	1	35	-2.0	-87.95	315.32	0.08	-87.87
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019649269	0	35	-2.0	-92.23	319.98	5.34	-86.89
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019649269	1	35	-2.0	-92.19	320.04	5.33	-86.86
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C([O-])=C1F	REAL300019649273	0	30	-2.0	-115.41	284.54	2.95	-112.46
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C([O-])=C1F	REAL300019649273	1	30	-2.0	-115.37	284.61	2.94	-112.43
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019649284	0	33	-2.0	-92.33	305.75	4.08	-88.25
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019649284	1	33	-2.0	-92.36	305.81	4.07	-88.29
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N[N-]1	REAL300019649312	0	41	-2.0	-97.14	357.55	3.79	-93.35
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N[N-]1	REAL300019649312	1	41	-2.0	-97.04	357.61	3.78	-93.26
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019649312	1	41	-2.0	-96.98	357.58	3.80	-93.18
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019649312	1	41	-2.0	-96.96	357.64	3.79	-93.17
N#CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)[N-]1	REAL300019649449	0	30	-2.0	-82.99	287.31	1.35	-81.64
N#CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)[N-]1	REAL300019649449	1	30	-2.0	-82.96	287.37	1.34	-81.62
CN1C(=S)[N-]N=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019649810	1	29	-2.0	-89.48	280.17	3.43	-86.05
CN1C(=S)[N-]N=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019649810	1	29	-2.0	-89.43	280.23	3.42	-86.01
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=C([N-]1)SC(Br)=N2	REAL300019649812	0	29	-2.0	-92.64	304.74	2.14	-90.50
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=C([N-]1)SC(Br)=N2	REAL300019649812	1	29	-2.0	-92.63	304.80	2.13	-90.50
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019649830	0	38	-2.0	-128.28	342.27	0.25	-128.03
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019649830	1	38	-2.0	-128.27	342.33	0.24	-128.03
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019650007	1	34	-2.0	-96.08	315.17	0.10	-95.98
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019650007	1	34	-2.0	-96.06	315.23	0.09	-95.97
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC(C3=N[N-]N=N3)=C1)=C2	REAL300019650072	1	36	-2.0	-103.82	335.64	3.23	-100.59
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC(C3=NN=N[N-]3)=C1)=C2	REAL300019650072	1	36	-2.0	-103.76	335.71	3.22	-100.54
O=C(CC1=CC=CC2=CC=CC=C21)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019651268	0	41	-2.0	-95.95	368.27	3.99	-91.96
O=C(CC1=CC=CC2=CC=CC=C21)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019651268	1	41	-2.0	-95.92	368.34	3.99	-91.93
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1[N-]S(C)(=O)=O	REAL300019652060	1	40	-2.0	-90.48	347.90	-0.66	-91.14
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1[N-]S(C)(=O)=O	REAL300019652060	1	40	-2.0	-90.48	347.96	-0.65	-91.13
COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1[N-]S(C)(=O)=O	REAL300019652061	1	40	-2.0	-87.28	363.48	-0.74	-88.02
COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1[N-]S(C)(=O)=O	REAL300019652061	1	40	-2.0	-87.29	363.41	-0.75	-88.04
CC(C)(C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1)C1=CC=CC=C1	REAL300019652529	0	42	-2.0	-105.26	365.14	5.04	-100.22
CC(C)(C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1)C1=CC=CC=C1	REAL300019652529	1	42	-2.0	-105.27	365.08	5.02	-100.25
CC(C)(C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1)C1=CC=CC=C1	REAL300019652530	0	42	-2.0	-94.81	377.01	4.86	-89.95
CC(C)(C1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1)C1=CC=CC=C1	REAL300019652530	1	42	-2.0	-94.83	377.08	4.87	-89.96
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=CC(=O)N[N-]2)C=C1	REAL300019652815	1	36	-2.0	-94.10	318.52	1.38	-92.72
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=CC(=O)N[N-]2)C=C1	REAL300019652815	1	36	-2.0	-94.09	318.58	1.40	-92.69
O=C(NC1=CC=C(C2=CC(=O)N[N-]2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019652816	1	36	-2.0	-78.83	329.12	1.17	-77.66
O=C(NC1=CC=C(C2=CC(=O)N[N-]2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019652816	1	36	-2.0	-78.77	329.19	1.18	-77.59
CS(=O)(=O)C1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019652938	0	38	-2.0	-102.98	361.65	-1.34	-104.32
CS(=O)(=O)C1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019652938	1	38	-2.0	-102.94	361.72	-1.34	-104.28
O=C([N-]NC(=O)C1=CC=C(F)C=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653218	0	32	-2.0	-90.15	319.90	1.71	-88.44
O=C([N-]NC(=O)C1=CC=C(F)C=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653218	1	32	-2.0	-90.12	319.96	1.71	-88.41
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300019653266	1	43	-2.0	-110.38	381.82	3.30	-107.08
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300019653266	1	43	-2.0	-110.32	381.88	3.31	-107.01
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300019653427	1	43	-2.0	-116.97	381.83	3.30	-113.67
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300019653427	1	43	-2.0	-116.96	381.89	3.31	-113.65
CC1=CC=C(C2=NNC(C(=O)N[N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)C=C1	REAL300019653770	0	42	-2.0	-90.24	383.82	1.89	-88.35
CC1=CC=C(C2=NNC(C(=O)N[N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)C=C1	REAL300019653770	1	42	-2.0	-90.23	383.89	1.89	-88.34
O=C([N-]NC(=O)C1=CC=C(Cl)N=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653917	0	31	-2.0	-88.93	312.83	-0.21	-89.14
O=C([N-]NC(=O)C1=CC=C(Cl)N=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653917	1	31	-2.0	-88.90	312.90	-0.21	-89.11
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300019654365	0	40	-2.0	-95.12	349.00	1.84	-93.28
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300019654365	1	40	-2.0	-95.04	348.95	1.83	-93.21
O=C([N-]C1=NN=CS1)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019654366	0	43	-2.0	-88.06	373.63	4.34	-83.72
O=C([N-]C1=NN=CS1)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019654366	1	43	-2.0	-87.85	373.75	4.34	-83.51
O=C([N-]C1=NN=CS1)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019654367	0	40	-2.0	-84.35	357.08	2.01	-82.34
O=C([N-]C1=NN=CS1)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019654367	1	40	-2.0	-84.32	357.02	2.01	-82.31
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300019654438	0	37	-2.0	-96.88	357.50	4.82	-92.06
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300019654438	1	37	-2.0	-96.90	357.44	4.81	-92.09
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019654439	0	37	-2.0	-88.03	368.88	4.51	-83.52
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019654439	1	37	-2.0	-88.04	368.95	4.52	-83.52
O=C([N-]NC(=O)C1=CC2=CC=CC=C2C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019654596	0	38	-2.0	-97.51	347.05	3.40	-94.11
O=C([N-]NC(=O)C1=CC2=CC=CC=C2C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019654596	1	38	-2.0	-97.44	347.11	3.40	-94.04
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)CCCC3=NN=N[N-]3)S2)C=C1	REAL300019655318	0	38	-2.0	-96.09	378.36	5.22	-90.87
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)CCCC3=N[N-]N=N3)S2)C=C1	REAL300019655318	1	38	-2.0	-96.06	378.30	5.20	-90.86
CCCCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019655320	0	35	-2.0	-88.40	329.59	2.50	-85.90
CCCCCCCCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019655321	0	47	-2.0	-98.29	403.64	5.78	-92.51
CCCCCCCCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019655321	1	47	-2.0	-98.26	403.70	5.80	-92.46
CCCCCCCCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019655322	0	47	-2.0	-88.39	415.59	5.62	-82.77
CCCCCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019655323	0	38	-2.0	-98.29	339.15	3.44	-94.85
CCCCCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019655323	1	38	-2.0	-98.30	339.20	3.45	-94.85
CCCCCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019655325	0	38	-2.0	-88.33	351.09	3.28	-85.05
CCC(CC)C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019655326	0	38	-2.0	-99.92	333.41	2.99	-96.93
CCC(CC)C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019655326	1	38	-2.0	-99.90	333.47	3.00	-96.90
CCC(CC)C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019655328	0	38	-2.0	-90.01	345.91	2.86	-87.15
CCCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019655330	0	32	-2.0	-88.33	308.10	1.72	-86.61
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC=C2)S1	REAL300019655331	0	33	-2.0	-101.84	311.24	3.36	-98.48
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC=C2)S1	REAL300019655331	1	33	-2.0	-101.84	311.30	3.37	-98.47
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655333	0	33	-2.0	-91.56	323.17	3.17	-88.39
CC(C)C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019655335	0	32	-2.0	-88.92	307.42	1.55	-87.37
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300019655336	0	39	-2.0	-99.50	337.10	3.62	-95.88
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300019655336	1	39	-2.0	-99.52	337.16	3.63	-95.89
O=C([N-]C1=NN=C(C2CCCCC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655338	0	39	-2.0	-89.27	349.05	3.46	-85.81
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CO2)S1	REAL300019655339	0	30	-2.0	-98.89	294.34	1.58	-97.31
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CO2)S1	REAL300019655339	1	30	-2.0	-98.91	294.40	1.59	-97.32
O=C([N-]C1=NN=C(C2=CC=CO2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655341	0	30	-2.0	-90.00	305.79	1.26	-88.74
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C(F)(F)F)S1	REAL300019655342	0	26	-2.0	-88.45	272.67	0.79	-87.66
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C(F)(F)F)S1	REAL300019655342	1	26	-2.0	-88.47	272.61	0.77	-87.70
O=C([N-]C1=NN=C(C(F)(F)F)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655344	0	26	-2.0	-78.52	284.55	0.60	-77.92
O=C([N-]C1=NN=C(C(F)(F)F)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655344	1	26	-2.0	-78.53	284.62	0.61	-77.92
CC(C)(C)C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019655346	0	35	-2.0	-90.21	325.64	2.04	-88.17
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC=N2)S1	REAL300019655351	0	32	-2.0	-102.70	307.45	1.61	-101.09
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC=N2)S1	REAL300019655351	1	32	-2.0	-102.68	307.50	1.62	-101.06
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655353	0	32	-2.0	-93.86	318.89	1.31	-92.55
CS(=O)(=O)[N-]C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019655354	0	30	-3.0	-182.20	307.66	-2.46	-184.66
CS(=O)(=O)[N-]C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019655354	1	30	-3.0	-182.17	307.61	-2.48	-184.65
CS(=O)(=O)[N-]C1=NN=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)S1	REAL300019655355	0	34	-2.0	-117.25	335.25	1.54	-115.71
CS(=O)(=O)[N-]C1=NN=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)S1	REAL300019655355	1	34	-2.0	-117.09	335.35	1.56	-115.53
CS(=O)(=O)[N-]C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019655356	0	30	-3.0	-170.73	318.58	-2.65	-173.38
CS(=O)(=O)[N-]C1=NN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019655356	1	31	-2.0	-87.97	321.00	-1.45	-89.42
CS(=O)(=O)[N-]C1=NN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300019655356	1	31	-2.0	-87.92	321.06	-1.44	-89.36
CCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019655506	0	29	-2.0	-88.50	286.60	0.96	-87.54
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C23CC4CC(CC(C4)C2)C3)S1	REAL300019655507	0	47	-2.0	-102.42	375.52	5.21	-97.21
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C23CC4CC(CC(C4)C2)C3)S1	REAL300019655507	1	47	-2.0	-102.39	375.46	5.20	-97.19
C=CCSC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019655508	0	31	-2.0	-95.66	310.40	2.35	-93.31
C=CCSC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019655508	1	31	-2.0	-95.66	310.34	2.34	-93.32
C=CCSC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019655509	0	31	-2.0	-86.91	321.79	2.04	-84.87
C=CCSC1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300019655509	1	31	-2.0	-86.91	321.85	2.05	-84.86
CC(C)CC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019655511	0	35	-2.0	-88.97	326.33	2.32	-86.65
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1	REAL300019655512	0	37	-2.0	-94.70	363.91	4.89	-89.81
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1	REAL300019655512	1	37	-2.0	-94.70	363.85	4.88	-89.82
CCOC(=O)CSC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019655513	0	36	-2.0	-94.26	353.24	2.73	-91.53
CCOC(=O)CSC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019655513	1	36	-2.0	-94.25	353.19	2.71	-91.54
CCOC(=O)CSC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019655514	0	36	-2.0	-85.91	364.63	2.42	-83.49
O=C([N-]C1=NN=C(C(F)F)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655554	0	26	-2.0	-82.62	278.26	0.45	-82.17
O=C([N-]C1=NN=C(C(F)F)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655554	1	26	-2.0	-82.60	278.32	0.46	-82.14
O=C([N-]NC(=O)NC1CCS(=O)(=O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655782	0	37	-2.0	-86.76	344.54	-4.08	-90.84
O=C([N-]NC(=O)NC1CCS(=O)(=O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655782	1	37	-2.0	-86.72	344.61	-4.08	-90.80
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC=C2Cl)S1	REAL300019655916	0	33	-2.0	-102.58	324.12	4.17	-98.41
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC=C2Cl)S1	REAL300019655916	1	33	-2.0	-102.57	324.18	4.18	-98.39
O=C([N-]C1=NN=C(C2=CC=CC=C2Cl)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655918	0	33	-2.0	-93.02	335.57	3.86	-89.16
CC1=CC=C(C2=NN=C([N-]C(=O)CCCC3=N[N-]N=N3)S2)C(C)=C1	REAL300019656112	0	39	-2.0	-101.09	348.00	4.91	-96.18
CC1=CC=C(C2=NN=C([N-]C(=O)CCCC3=NN=N[N-]3)S2)C(C)=C1	REAL300019656112	1	39	-2.0	-101.06	348.06	4.92	-96.14
CC1=CC=C(C2=NN=C([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)S2)C(C)=C1	REAL300019656113	0	39	-2.0	-91.05	359.92	4.73	-86.32
CCCCNC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656131	0	36	-2.0	-82.39	323.51	-0.65	-83.04
CCCCNC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656131	1	36	-2.0	-82.41	323.57	-0.65	-83.06
O=C([N-]NC(=O)NCC1=CC=CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656179	0	34	-2.0	-83.90	321.17	-1.06	-84.96
O=C([N-]NC(=O)NCC1=CC=CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656179	1	34	-2.0	-83.88	321.24	-1.06	-84.94
O=C([N-]NC(=O)NCC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656214	0	34	-2.0	-82.69	312.05	-0.62	-83.31
O=C([N-]NC(=O)NCC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656214	1	34	-2.0	-82.76	312.12	-0.62	-83.38
O=C([N-]NC(=O)NCCC1=CC=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656217	0	37	-2.0	-83.21	352.15	0.69	-82.52
O=C([N-]NC(=O)NCCC1=CC=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656217	1	37	-2.0	-83.25	352.22	0.69	-82.56
COCCCNC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656218	0	37	-2.0	-83.55	335.68	-2.36	-85.91
COCCCNC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656218	1	37	-2.0	-83.52	335.75	-2.36	-85.88
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300019656465	0	43	-2.0	-95.82	379.97	3.47	-92.35
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300019656465	1	43	-2.0	-95.83	380.03	3.49	-92.34
O=C([N-]NC(=O)N1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656739	0	35	-2.0	-80.84	306.23	-0.87	-81.71
O=C([N-]NC(=O)N1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656739	1	35	-2.0	-80.82	306.29	-0.87	-81.69
O=C([N-]NC(=O)C(=O)N1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656999	0	36	-2.0	-92.43	325.39	-1.10	-93.53
O=C([N-]NC(=O)C(=O)N1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656999	1	36	-2.0	-92.42	325.46	-1.09	-93.51
N#CC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019657077	0	33	-2.0	-90.69	321.78	1.55	-89.14
N#CC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019657077	1	33	-2.0	-90.65	321.85	1.55	-89.10
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019657618	0	37	-2.0	-94.78	334.32	1.97	-92.81
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019657618	1	37	-2.0	-94.76	334.37	1.97	-92.79
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019657637	0	37	-2.0	-100.56	352.54	1.17	-99.39
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019657637	1	37	-2.0	-100.51	352.58	1.17	-99.34
CCOC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(Cl)=C1[O-]	REAL300019657686	1	37	-2.0	-86.28	341.02	4.44	-81.84
CCOC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(Cl)=C1[O-]	REAL300019657686	1	37	-2.0	-86.31	340.98	4.43	-81.88
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019657984	0	37	-2.0	-88.29	340.74	2.04	-86.25
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019657984	1	37	-2.0	-88.27	340.78	2.04	-86.23
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019658540	1	40	-2.0	-95.06	355.76	2.65	-92.41
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019658540	1	40	-2.0	-95.09	355.72	2.64	-92.45
CSC1=NC(C)=C(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300019658562	1	41	-2.0	-92.71	367.98	2.97	-89.74
CSC1=NC(C)=C(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300019658562	1	41	-2.0	-92.70	368.02	2.96	-89.74
CN1C(=O)C2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2[N-]C1=S	REAL300019658683	0	38	-2.0	-85.94	347.12	5.26	-80.68
CN1C(=O)C2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2[N-]C1=S	REAL300019658683	1	38	-2.0	-85.99	347.08	5.27	-80.72
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019658708	1	36	-2.0	-99.18	349.37	6.28	-92.90
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019658708	1	36	-2.0	-99.21	349.32	6.29	-92.92
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019658761	1	42	-2.0	-103.21	377.59	7.79	-95.42
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019658761	1	42	-2.0	-103.26	377.65	7.79	-95.47
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019658762	0	38	-2.0	-95.91	351.36	5.71	-90.20
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019658762	1	38	-2.0	-95.89	351.31	5.71	-90.18
CCN1C(=O)C2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2[N-]C1=S	REAL300019658789	0	41	-2.0	-86.25	368.36	6.19	-80.06
CCN1C(=O)C2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2[N-]C1=S	REAL300019658789	1	41	-2.0	-86.24	368.40	6.18	-80.06
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019658805	0	41	-2.0	-88.82	371.89	6.15	-82.67
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019658805	1	41	-2.0	-88.80	371.94	6.15	-82.65
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019658840	1	42	-2.0	-102.79	377.83	7.80	-94.99
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019658840	1	42	-2.0	-102.82	377.77	7.80	-95.02
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019658878	1	36	-2.0	-106.54	317.84	6.63	-99.91
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019658878	1	36	-2.0	-106.50	317.52	6.63	-99.87
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Br)=CC=C1[O-]	REAL300019658883	1	30	-2.0	-94.61	293.08	4.96	-89.65
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Br)=CC=C1[O-]	REAL300019658883	1	30	-2.0	-94.60	293.13	4.97	-89.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019658884	0	30	-2.0	-94.75	288.52	4.85	-89.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019658884	1	30	-2.0	-94.70	288.56	4.86	-89.84
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019658892	0	30	-2.0	-97.34	288.53	4.86	-92.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019658892	1	30	-2.0	-97.33	288.49	4.86	-92.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019658893	0	30	-2.0	-82.20	289.96	3.39	-78.81
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019658893	1	30	-2.0	-82.22	289.91	3.39	-78.83
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019658897	1	36	-2.0	-103.87	316.70	6.68	-97.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019658897	1	36	-2.0	-103.87	316.75	6.68	-97.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019658900	0	32	-2.0	-82.77	299.94	4.61	-78.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019658900	1	32	-2.0	-82.80	299.98	4.60	-78.20
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019659022	1	43	-2.0	-80.93	380.42	1.20	-79.73
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019659022	1	43	-2.0	-80.89	380.37	1.20	-79.69
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019659034	1	34	-2.0	-80.78	326.78	-1.34	-82.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019659034	1	34	-2.0	-80.79	326.73	-1.34	-82.13
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019659100	0	37	-2.0	-87.35	331.89	0.14	-87.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019659100	1	37	-2.0	-87.37	331.84	0.14	-87.23
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019659413	1	43	-2.0	-96.50	377.29	3.65	-92.85
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019659413	1	43	-2.0	-96.56	377.33	3.66	-92.90
NC1=NC([O-])=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019659634	0	31	-2.0	-104.51	298.29	-1.66	-106.17
NC1=NC([O-])=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019659634	1	31	-2.0	-104.50	298.33	-1.67	-106.17
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019659755	1	40	-2.0	-96.11	355.83	2.87	-93.24
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019659755	1	40	-2.0	-96.11	355.79	2.87	-93.24
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019659787	1	39	-2.0	-105.47	359.99	6.30	-99.17
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019659787	1	39	-2.0	-104.34	360.05	6.29	-98.05
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019659815	1	35	-2.0	-93.59	318.64	1.49	-92.10
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019659815	1	35	-2.0	-93.62	318.60	1.50	-92.12
CC1=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019659841	0	42	-2.0	-112.14	375.13	2.18	-109.96
CC1=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019659841	1	42	-2.0	-110.54	374.89	2.18	-108.36
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019659991	1	41	-2.0	-111.49	354.52	2.78	-108.71
O=C(CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[N-]C1=NN=C(C2CC2)O1	REAL300019660013	0	41	-2.0	-92.86	367.86	-1.46	-94.32
O=C(CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)[N-]C1=NN=C(C2CC2)O1	REAL300019660013	1	41	-2.0	-92.89	367.82	-1.46	-94.35
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019660173	0	34	-2.0	-95.07	316.18	1.78	-93.29
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019660173	1	34	-2.0	-95.07	316.23	1.77	-93.30
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019660354	1	39	-2.0	-106.82	350.16	1.86	-104.96
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019660354	1	39	-2.0	-106.85	350.11	1.87	-104.98
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019660526	1	38	-2.0	-86.90	365.24	-4.27	-91.17
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019660526	1	38	-2.0	-86.85	365.20	-4.27	-91.12
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC2=O)C=C1	REAL300019660537	0	40	-2.0	-87.94	354.71	5.24	-82.70
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC2=O)C=C1	REAL300019660537	1	40	-2.0	-87.92	354.76	5.23	-82.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019660564	0	32	-2.0	-88.33	306.96	2.22	-86.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019660564	1	32	-2.0	-88.39	307.00	2.22	-86.17
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019660674	0	38	-2.0	-86.17	338.41	2.55	-83.62
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019660674	1	38	-2.0	-86.23	338.37	2.56	-83.67
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=N2)C=C1	REAL300019660678	0	41	-2.0	-103.99	363.93	3.42	-100.57
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=N2)C=C1	REAL300019660678	1	41	-2.0	-103.97	363.89	3.42	-100.55
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019660679	0	37	-2.0	-100.55	340.82	4.19	-96.36
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019660679	1	37	-2.0	-100.53	340.86	4.18	-96.35
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC2=O)=N1	REAL300019660680	0	41	-2.0	-95.85	370.22	5.63	-90.22
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC2=O)=N1	REAL300019660680	1	41	-2.0	-95.84	370.27	5.62	-90.22
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019660681	0	37	-2.0	-108.04	339.21	4.27	-103.77
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019660681	1	37	-2.0	-108.03	339.25	4.26	-103.77
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019660775	0	29	-2.0	-82.04	312.47	2.77	-79.27
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019660775	1	29	-2.0	-82.04	312.51	2.77	-79.27
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019660809	0	40	-2.0	-101.60	362.41	5.13	-96.47
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019660809	1	40	-2.0	-101.63	362.37	5.13	-96.50
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=N2)C=C1	REAL300019660929	0	46	-2.0	-104.19	394.94	6.03	-98.16
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=N2)C=C1	REAL300019660929	1	46	-2.0	-104.19	394.89	6.03	-98.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019661008	0	32	-2.0	-78.45	302.16	3.47	-74.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019661008	1	32	-2.0	-78.41	302.20	3.47	-74.94
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019661055	0	43	-2.0	-90.21	388.57	2.99	-87.22
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019661055	1	43	-2.0	-90.23	388.52	3.00	-87.23
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC(=O)[N-]C1=O	REAL300019661097	0	28	-2.0	-87.22	268.50	-2.86	-90.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC(=O)[N-]C1=O	REAL300019661097	1	28	-2.0	-87.24	268.54	-2.87	-90.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Br)=C1[O-]	REAL300019661112	0	30	-2.0	-97.43	292.23	4.98	-92.45
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Br)=C1[O-]	REAL300019661112	1	30	-2.0	-97.40	291.91	4.97	-92.43
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C([O-])=C1	REAL300019661116	1	48	-2.0	-117.33	397.96	3.97	-113.36
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C([O-])=C1	REAL300019661116	1	48	-2.0	-117.41	398.01	3.96	-113.45
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C([O-])=C1	REAL300019661117	1	47	-2.0	-111.56	393.51	4.62	-106.94
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C([O-])=C1	REAL300019661117	1	47	-2.0	-111.55	393.56	4.61	-106.94
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019661127	0	32	-2.0	-105.26	297.80	5.60	-99.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019661127	1	32	-2.0	-105.28	297.84	5.60	-99.68
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019661195	0	32	-2.0	-86.61	299.96	5.01	-81.60
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019661195	1	32	-2.0	-86.66	300.00	5.01	-81.65
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Br)C=C1[O-]	REAL300019661196	0	30	-2.0	-97.19	293.06	4.97	-92.22
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Br)C=C1[O-]	REAL300019661196	1	30	-2.0	-97.19	293.10	4.97	-92.22
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019661199	0	36	-2.0	-97.03	331.02	7.09	-89.94
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019661199	1	36	-2.0	-97.02	330.98	7.09	-89.93
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C=CC=C1Cl	REAL300019661211	0	30	-2.0	-93.03	293.15	3.16	-89.87
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C=CC=C1Cl	REAL300019661211	1	30	-2.0	-93.04	293.19	3.15	-89.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019661460	0	30	-2.0	-98.47	287.52	4.87	-93.60
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019661460	1	30	-2.0	-98.54	287.84	4.87	-93.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019661508	1	33	-2.0	-95.85	310.48	5.35	-90.50
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019661508	1	33	-2.0	-95.88	310.52	5.35	-90.53
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019661719	0	35	-2.0	-84.73	336.37	1.10	-83.63
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019661719	1	35	-2.0	-84.75	336.41	1.10	-83.65
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019661720	0	34	-2.0	-84.59	310.01	2.88	-81.71
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019661720	1	34	-2.0	-84.61	310.05	2.87	-81.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019661721	0	30	-2.0	-82.82	296.14	3.44	-79.38
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019661721	1	30	-2.0	-82.78	296.18	3.45	-79.33
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019661741	0	38	-2.0	-82.86	337.77	1.66	-81.20
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019661741	1	38	-2.0	-82.86	337.82	1.65	-81.21
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019661765	0	41	-2.0	-99.90	368.05	2.30	-97.60
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019661765	1	41	-2.0	-99.88	368.09	2.30	-97.58
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019661795	0	32	-2.0	-87.75	299.89	4.63	-83.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019661795	1	32	-2.0	-87.74	299.93	4.63	-83.11
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019661797	0	30	-2.0	-90.96	290.78	3.02	-87.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019661797	1	30	-2.0	-90.96	290.82	3.02	-87.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019661805	0	30	-2.0	-86.08	286.37	2.97	-83.11
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019661805	1	30	-2.0	-86.09	286.32	2.97	-83.12
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019661837	0	32	-2.0	-94.06	299.64	5.01	-89.05
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019661837	1	32	-2.0	-94.10	299.97	5.01	-89.09
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019661869	0	35	-2.0	-74.66	319.02	0.70	-73.96
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019661869	1	35	-2.0	-74.61	319.07	0.70	-73.91
N#CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[O-]	REAL300019661963	0	31	-2.0	-91.52	294.10	3.27	-88.25
N#CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[O-]	REAL300019661963	1	31	-2.0	-91.51	294.14	3.26	-88.25
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019662066	1	31	-2.0	-79.26	294.81	3.18	-76.08
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019662066	1	31	-2.0	-79.21	294.85	3.18	-76.03
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019662094	0	30	-2.0	-87.67	293.94	-0.88	-88.55
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019662094	1	30	-2.0	-87.70	293.99	-0.89	-88.59
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019662135	1	32	-2.0	-96.39	307.01	5.70	-90.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019662135	1	32	-2.0	-96.43	306.97	5.71	-90.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300019662154	0	39	-2.0	-91.15	358.86	4.91	-86.24
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300019662154	1	39	-2.0	-87.72	358.94	4.98	-82.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300019662154	1	39	-2.0	-91.16	358.90	4.91	-86.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300019662154	1	39	-2.0	-87.73	358.98	4.97	-82.76
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=N2)=C1	REAL300019662290	0	40	-2.0	-108.96	359.45	4.77	-104.19
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=N2)=C1	REAL300019662290	1	40	-2.0	-108.87	359.49	4.76	-104.11
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=N2)=C1	REAL300019662302	0	46	-2.0	-104.81	394.71	6.04	-98.77
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=N2)=C1	REAL300019662302	1	46	-2.0	-104.84	394.67	6.04	-98.80
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019662344	1	32	-2.0	-84.19	294.00	2.69	-81.50
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019662344	1	32	-2.0	-84.17	294.04	2.68	-81.49
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=CC([O-])=C1F	REAL300019662429	1	30	-2.0	-86.66	290.07	2.74	-83.92
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=CC([O-])=C1F	REAL300019662429	1	30	-2.0	-86.69	290.03	2.75	-83.94
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019662594	0	32	-2.0	-90.90	307.01	2.21	-88.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019662594	1	32	-2.0	-90.88	307.06	2.21	-88.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019662637	0	37	-2.0	-102.90	340.86	4.18	-98.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019662637	1	37	-2.0	-102.90	340.82	4.19	-98.71
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019662678	0	35	-2.0	-103.62	314.27	4.98	-98.64
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019662678	1	35	-2.0	-103.60	314.31	4.97	-98.63
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019662856	0	37	-2.0	-102.62	351.18	4.64	-97.98
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019662856	1	37	-2.0	-102.63	351.15	4.64	-97.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019662857	0	37	-2.0	-103.47	344.44	4.16	-99.31
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019662857	1	37	-2.0	-103.46	344.48	4.15	-99.31
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019662968	0	35	-2.0	-85.75	316.77	2.35	-83.40
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019662968	1	35	-2.0	-85.72	316.81	2.33	-83.39
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019663077	0	37	-2.0	-105.24	334.74	4.11	-101.13
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019663077	1	37	-2.0	-105.22	334.70	4.11	-101.11
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019663176	0	35	-2.0	-100.18	326.01	-0.70	-100.88
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019663176	1	35	-2.0	-100.19	325.97	-0.71	-100.90
O=C([N-]CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1)C(F)(F)F	REAL300019664215	0	36	-2.0	-76.68	349.62	0.88	-75.80
O=C([N-]CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1)C(F)(F)F	REAL300019664215	1	36	-2.0	-76.72	349.67	0.88	-75.84
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019664395	0	30	-2.0	-95.30	298.99	5.02	-90.28
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019664395	1	30	-2.0	-95.42	299.32	5.03	-90.39
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([O-])C(F)=C1F	REAL300019664404	0	30	-2.0	-88.57	284.26	2.99	-85.58
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([O-])C(F)=C1F	REAL300019664404	1	30	-2.0	-88.58	284.58	2.98	-85.60
CSC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300019664406	1	32	-2.0	-82.11	303.40	1.35	-80.76
CSC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300019664406	1	32	-2.0	-82.14	303.44	1.33	-80.81
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[N-]C(=O)C(C#N)=C1	REAL300019664412	0	33	-2.0	-77.86	307.08	1.99	-75.87
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)[N-]C(=O)C(C#N)=C1	REAL300019664412	1	33	-2.0	-77.95	307.02	2.00	-75.95
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C([O-])=C2)O1	REAL300019664434	0	39	-2.0	-118.63	355.39	6.49	-112.14
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C([O-])=C2)O1	REAL300019664434	1	39	-2.0	-118.61	355.34	6.49	-112.12
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=S)[N-]C(=O)N1	REAL300019664530	1	32	-2.0	-85.08	298.84	0.74	-84.34
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=S)[N-]C(=O)N1	REAL300019664530	1	32	-2.0	-85.08	298.79	0.75	-84.33
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Br)C(=O)N=C[N-]1	REAL300019664532	0	28	-2.0	-80.80	281.65	1.25	-79.55
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Br)C(=O)N=C[N-]1	REAL300019664532	1	28	-2.0	-80.75	281.70	1.24	-79.51
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019664635	0	30	-2.0	-79.25	298.89	-0.66	-79.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019664635	1	30	-2.0	-79.25	298.93	-0.65	-79.90
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=C(Br)C=C1[O-]	REAL300019664681	0	29	-2.0	-91.35	290.33	3.23	-88.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=C(Br)C=C1[O-]	REAL300019664681	1	29	-2.0	-91.30	290.37	3.22	-88.08
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)O1	REAL300019664849	0	39	-2.0	-105.83	355.45	6.50	-99.33
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)O1	REAL300019664849	1	39	-2.0	-105.81	355.50	6.50	-99.31
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664882	0	34	-2.0	-81.07	341.38	3.11	-77.96
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664882	1	34	-2.0	-81.11	341.43	3.10	-78.01
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019664900	0	30	-2.0	-91.47	304.23	5.38	-86.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019664900	1	30	-2.0	-91.52	304.56	5.38	-86.14
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019664907	0	35	-2.0	-94.40	314.94	4.81	-89.59
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019664907	1	35	-2.0	-94.49	315.26	4.81	-89.68
CC(C)CN1[N-]C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC1=O	REAL300019665020	0	42	-2.0	-98.20	359.61	3.85	-94.35
CC(C)CN1[N-]C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC1=O	REAL300019665020	1	42	-2.0	-98.21	359.66	3.85	-94.36
COC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019665083	0	36	-2.0	-86.01	329.10	4.44	-81.57
COC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019665083	1	36	-2.0	-86.03	329.14	4.44	-81.59
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019665084	0	30	-2.0	-99.35	293.85	4.90	-94.45
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019665084	1	30	-2.0	-99.33	294.17	4.91	-94.42
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019665127	0	30	-2.0	-81.61	289.95	3.34	-78.27
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019665127	1	30	-2.0	-81.59	290.00	3.34	-78.25
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)O2)[N-]1	REAL300019665248	1	36	-2.0	-80.54	335.38	3.17	-77.37
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)O2)[N-]1	REAL300019665248	1	36	-2.0	-80.53	335.43	3.16	-77.37
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019665304	0	30	-2.0	-94.48	284.44	4.47	-90.01
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019665304	1	30	-2.0	-94.40	284.11	4.47	-89.93
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C=CC2=CC=CC=C21	REAL300019665351	1	36	-2.0	-98.18	322.65	4.92	-93.26
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C=CC2=CC=CC=C21	REAL300019665351	1	36	-2.0	-98.24	322.61	4.93	-93.31
CCOC(=O)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N[N-]1	REAL300019665426	0	35	-2.0	-81.82	324.81	2.66	-79.16
CCOC(=O)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N[N-]1	REAL300019665426	1	35	-2.0	-81.83	324.76	2.66	-79.17
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019665426	1	35	-2.0	-81.78	324.83	2.66	-79.12
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019665426	1	35	-2.0	-81.78	324.79	2.67	-79.11
COCC1=NC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300019665559	1	35	-2.0	-82.07	314.80	0.08	-81.99
COCC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300019665559	1	35	-2.0	-82.05	314.85	0.07	-81.98
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019665691	0	35	-2.0	-82.76	320.00	5.34	-77.42
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019665691	1	35	-2.0	-82.75	319.96	5.34	-77.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C([O-])=C1F	REAL300019665695	0	30	-2.0	-98.94	284.22	2.97	-95.97
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C([O-])=C1F	REAL300019665695	1	30	-2.0	-98.90	284.54	2.95	-95.95
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019665706	0	33	-2.0	-82.19	305.81	4.09	-78.10
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019665706	1	33	-2.0	-82.14	305.86	4.08	-78.06
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N[N-]1	REAL300019665736	0	41	-2.0	-83.34	357.80	3.78	-79.56
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N[N-]1	REAL300019665736	1	41	-2.0	-83.34	357.84	3.78	-79.56
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019665736	1	41	-2.0	-83.18	357.87	3.78	-79.40
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019665736	1	41	-2.0	-83.19	357.83	3.79	-79.40
N#CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300019665875	0	30	-2.0	-76.51	286.74	1.34	-75.17
N#CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300019665875	1	30	-2.0	-76.49	286.78	1.33	-75.16
CSC1=NC(C)=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019668511	1	41	-2.0	-112.12	356.15	2.05	-110.07
CSC1=NC(C)=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019668511	1	41	-2.0	-112.10	356.21	2.08	-110.02
C=CCN1C(=O)C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019668615	0	42	-2.0	-95.66	367.09	5.39	-90.27
C=CCN1C(=O)C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019668615	1	42	-2.0	-95.65	367.15	5.41	-90.24
CN1C(=O)C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019668616	0	38	-2.0	-88.84	331.63	3.89	-84.95
CN1C(=O)C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019668616	1	38	-2.0	-88.82	331.68	3.92	-84.90
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCCC1C1=N[N-]N=N1	REAL300019668621	1	36	-2.0	-109.69	337.45	5.36	-104.33
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCCC1C1=NN=N[N-]1	REAL300019668621	1	36	-2.0	-109.67	337.51	5.37	-104.30
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019668644	1	39	-2.0	-107.67	361.27	6.69	-100.98
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019668644	1	39	-2.0	-107.67	361.33	6.71	-100.96
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019668645	1	42	-2.0	-112.93	365.95	6.85	-106.08
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019668645	1	42	-2.0	-112.94	366.00	6.87	-106.07
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC1C1=N[N-]N=N1	REAL300019668646	0	38	-2.0	-112.97	339.41	4.78	-108.19
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC1C1=NN=N[N-]1	REAL300019668646	1	38	-2.0	-112.97	339.47	4.81	-108.16
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019668668	1	45	-2.0	-98.47	386.17	7.43	-91.04
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019668668	1	45	-2.0	-98.49	386.23	7.45	-91.04
CCN1C(=O)C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019668669	0	41	-2.0	-89.31	352.90	4.82	-84.49
CCN1C(=O)C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019668669	1	41	-2.0	-89.30	352.96	4.84	-84.46
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC1C1=N[N-]N=N1	REAL300019668680	0	41	-2.0	-109.37	359.99	5.25	-104.12
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC1C1=NN=N[N-]1	REAL300019668680	1	41	-2.0	-109.36	360.05	5.28	-104.08
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019668709	1	43	-2.0	-113.60	374.25	5.48	-108.12
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019668709	1	43	-2.0	-113.55	374.31	5.50	-108.05
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019668710	1	42	-2.0	-129.65	365.92	6.83	-122.82
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019668710	1	42	-2.0	-129.63	365.98	6.85	-122.78
O=C(C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019668749	0	45	-2.0	-122.69	380.38	1.82	-120.87
O=C(C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019668749	1	45	-2.0	-122.64	380.44	1.84	-120.80
O=C(C1=CC(Br)=CC=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019668750	1	30	-2.0	-109.13	270.82	3.27	-105.86
O=C(C1=CC(Br)=CC=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019668750	1	30	-2.0	-109.11	270.86	3.26	-105.85
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019668757	1	36	-2.0	-119.15	295.31	4.91	-114.24
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019668759	0	32	-2.0	-95.38	284.77	3.30	-92.08
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019668759	1	32	-2.0	-95.41	284.82	3.33	-92.08
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)[N-]1	REAL300019668857	0	46	-2.0	-101.94	391.02	4.66	-97.28
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)[N-]1	REAL300019668857	1	46	-2.0	-101.92	391.08	4.68	-97.24
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019668899	1	43	-2.0	-94.17	374.88	1.77	-92.40
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019668934	0	37	-2.0	-92.49	316.15	-1.18	-93.67
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019668934	1	37	-2.0	-92.46	316.09	-1.20	-93.66
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019669499	1	39	-2.0	-132.19	344.14	5.08	-127.11
CC(C(=O)N1CCCC1C1=NN=N[N-]1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019669499	1	39	-2.0	-132.21	344.20	5.11	-127.10
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCC1C1=N[N-]N=N1	REAL300019669525	1	35	-2.0	-108.29	306.79	0.57	-107.72
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCC1C1=NN=N[N-]1	REAL300019669525	1	35	-2.0	-108.35	306.85	0.60	-107.75
CC1=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019669550	0	42	-2.0	-125.18	363.28	1.29	-123.89
CC1=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019669550	1	42	-2.0	-125.20	363.34	1.31	-123.89
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019669662	1	41	-2.0	-119.48	342.66	1.87	-117.61
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019669662	1	41	-2.0	-119.48	342.72	1.89	-117.59
O=C(CCC(=O)N1CCCC1C1=N[N-]N=N1)[N-]C1=NN=C(C2CC2)O1	REAL300019669672	0	41	-2.0	-105.72	356.21	-2.37	-108.09
O=C(CCC(=O)N1CCCC1C1=NN=N[N-]1)[N-]C1=NN=C(C2CC2)O1	REAL300019669672	1	41	-2.0	-105.75	356.27	-2.36	-108.11
O=C(C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)N1CCCC1C1=NN=N[N-]1	REAL300019669732	0	38	-2.0	-94.28	337.38	3.19	-91.09
O=C(C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)N1CCCC1C1=N[N-]N=N1	REAL300019669732	1	38	-2.0	-94.24	337.32	3.16	-91.08
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019669924	1	39	-2.0	-118.65	338.21	0.97	-117.68
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019669924	1	39	-2.0	-118.63	338.27	0.99	-117.64
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300019670045	1	38	-2.0	-98.01	350.36	-5.13	-103.14
CC1=CC=C(N2[N-]C(C(=O)N3CCCC3C3=N[N-]N=N3)=CC2=O)C=C1	REAL300019670053	0	40	-2.0	-108.00	339.67	4.53	-103.47
CC1=CC=C(N2[N-]C(C(=O)N3CCCC3C3=NN=N[N-]3)=CC2=O)C=C1	REAL300019670053	1	40	-2.0	-108.01	339.73	4.55	-103.46
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670076	0	32	-2.0	-91.22	291.20	0.86	-90.36
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670076	1	32	-2.0	-91.22	291.26	0.88	-90.34
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019670158	0	38	-2.0	-112.17	335.16	1.21	-110.96
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019670158	1	38	-2.0	-112.20	335.11	1.19	-111.01
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3C3=N[N-]N=N3)=N2)C=C1	REAL300019670160	0	41	-2.0	-130.17	349.30	2.71	-127.46
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3C3=NN=N[N-]3)=N2)C=C1	REAL300019670160	1	41	-2.0	-130.17	349.36	2.74	-127.43
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670161	0	37	-2.0	-126.01	326.23	3.48	-122.53
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670161	1	37	-2.0	-126.01	326.29	3.50	-122.51
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCC3C3=N[N-]N=N3)=CC2=O)=N1	REAL300019670162	0	41	-2.0	-115.66	355.18	4.93	-110.73
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCC3C3=NN=N[N-]3)=CC2=O)=N1	REAL300019670162	1	41	-2.0	-115.67	355.24	4.95	-110.72
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670164	0	37	-2.0	-134.54	323.28	3.53	-131.01
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670164	1	37	-2.0	-134.57	323.34	3.55	-131.02
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC3C3=N[N-]N=N3)=N2)=C1	REAL300019671283	0	40	-2.0	-135.76	344.58	4.06	-131.70
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC3C3=NN=N[N-]3)=N2)=C1	REAL300019671283	1	40	-2.0	-135.77	344.64	4.09	-131.68
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC3C3=N[N-]N=N3)=N2)=C1	REAL300019671292	0	46	-2.0	-131.38	380.12	5.34	-126.04
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC3C3=NN=N[N-]3)=N2)=C1	REAL300019671292	1	46	-2.0	-131.40	380.18	5.35	-126.05
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019671481	0	32	-2.0	-94.01	284.58	0.35	-93.66
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019671481	1	32	-2.0	-93.99	284.64	0.35	-93.64
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019671519	0	37	-2.0	-128.87	326.27	3.49	-125.38
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019671519	1	37	-2.0	-128.81	326.33	3.50	-125.31
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCCC1C1=NN=N[N-]1	REAL300019671544	1	35	-2.0	-131.58	299.06	4.65	-126.93
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCCC1C1=N[N-]N=N1	REAL300019671544	1	35	-2.0	-131.60	299.00	4.62	-126.98
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019671651	0	40	-2.0	-129.27	355.04	4.37	-124.90
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019671651	1	40	-2.0	-129.24	355.09	4.39	-124.85
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019671652	0	37	-2.0	-128.62	336.59	3.94	-124.68
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019671652	1	37	-2.0	-128.60	336.65	3.95	-124.65
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019671653	0	37	-2.0	-129.08	329.61	3.46	-125.62
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019671653	1	37	-2.0	-129.07	329.67	3.48	-125.59
O=C(C1=CC(=O)N=C(C2CC2)[N-]1)N1CCCC1C1=N[N-]N=N1	REAL300019671727	0	35	-2.0	-105.24	302.80	1.91	-103.33
O=C(C1=CC(=O)N=C(C2CC2)[N-]1)N1CCCC1C1=NN=N[N-]1	REAL300019671727	1	35	-2.0	-105.21	302.86	1.92	-103.29
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019671787	0	37	-2.0	-131.60	319.83	3.41	-128.19
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019671787	1	37	-2.0	-131.63	319.89	3.44	-128.19
O=C(C1=C([O-])C=NC2=C(Br)C=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300019671795	1	35	-2.0	-120.76	326.23	2.83	-117.93
O=C(C1=C([O-])C=NC2=C(Br)C=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300019671795	1	35	-2.0	-120.72	326.29	2.86	-117.86
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019671849	0	35	-2.0	-117.51	296.78	-1.59	-119.10
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019671849	1	35	-2.0	-117.53	296.82	-1.58	-119.11
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019671933	0	33	-2.0	-116.90	295.16	3.84	-113.06
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019671933	1	33	-2.0	-116.86	295.21	3.85	-113.01
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019671935	0	35	-2.0	-94.59	307.42	1.21	-93.38
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019671935	1	35	-2.0	-94.60	307.47	1.24	-93.36
O=C(C1=CN=C(I)C([O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019671970	0	29	-2.0	-97.74	279.97	0.60	-97.14
O=C(C1=CN=C(I)C([O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019671970	1	29	-2.0	-97.73	280.02	0.62	-97.11
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019671989	0	32	-2.0	-103.50	292.82	4.41	-99.09
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019671989	1	32	-2.0	-103.50	292.87	4.42	-99.08
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672008	1	35	-2.0	-123.38	291.14	3.05	-120.33
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672008	1	35	-2.0	-123.38	291.09	3.07	-120.31
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCC3C3=N[N-]N=N3)O2)[N-]1	REAL300019673275	1	36	-2.0	-95.42	320.51	2.28	-93.14
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCC3C3=NN=N[N-]3)O2)[N-]1	REAL300019673275	1	36	-2.0	-95.40	320.57	2.31	-93.09
COCC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019673506	1	35	-2.0	-107.65	309.58	-1.27	-108.92
COCC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019673506	1	35	-2.0	-107.68	309.64	-1.26	-108.94
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019673608	0	35	-2.0	-98.81	304.23	3.98	-94.83
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019673608	1	35	-2.0	-98.82	304.28	4.00	-94.82
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019673622	0	33	-2.0	-95.39	294.40	2.74	-92.65
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019673622	1	33	-2.0	-95.40	294.45	2.75	-92.65
O=C(C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019673989	0	40	-2.0	-90.65	353.73	4.26	-86.39
O=C(C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019673989	1	40	-2.0	-90.65	353.79	4.28	-86.37
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019675483	0	34	-2.0	-106.93	309.78	1.04	-105.89
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019675483	1	34	-2.0	-106.91	309.72	1.03	-105.88
O=C(NC1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019675484	0	37	-2.0	-118.92	334.07	3.96	-114.96
O=C(NC1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019675484	1	37	-2.0	-115.82	334.75	3.97	-111.85
O=C(NC1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019675485	0	34	-2.0	-86.07	320.37	0.82	-85.25
O=C(NC1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019675485	1	34	-2.0	-86.05	320.30	0.82	-85.23
O=C(CCC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019675490	0	38	-2.0	-91.84	346.99	2.67	-89.17
O=C(CCC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019675490	1	38	-2.0	-91.84	347.06	2.68	-89.16
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1	REAL300019675762	0	33	-2.0	-98.08	327.97	3.86	-94.22
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1	REAL300019675762	1	33	-2.0	-98.11	328.03	3.87	-94.24
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019675764	0	33	-2.0	-88.50	339.90	3.68	-84.82
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019675764	1	33	-2.0	-88.49	339.96	3.71	-84.78
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=C(Cl)C=CC=C1Cl	REAL300019675863	1	32	-2.0	-100.61	324.78	2.22	-98.39
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=C(Cl)C=CC=C1Cl	REAL300019675863	1	32	-2.0	-100.60	324.84	2.23	-98.37
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=C(Cl)C=CC=C1Cl	REAL300019675864	1	35	-2.0	-111.26	349.53	5.04	-106.22
O=C([N-]NC(=O)C1=C(Cl)C=CC=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019675865	0	32	-2.0	-98.70	336.24	1.91	-96.79
O=C([N-]NC(=O)C1=C(Cl)C=CC=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019675865	1	32	-2.0	-98.71	336.31	1.92	-96.79
O=C(CCCC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019676046	0	41	-2.0	-93.34	368.49	3.46	-89.88
O=C(CCCC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019676046	1	41	-2.0	-93.36	368.56	3.46	-89.90
CC(C)(C)C1=NSC([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019676194	0	35	-2.0	-83.46	323.69	2.10	-81.36
CC(C)(C)C1=NSC([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300019676194	1	35	-2.0	-83.46	323.76	2.10	-81.36
O=C([N-]NC(=O)C1=CC=CC(OC(F)F)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019676403	0	36	-2.0	-95.56	340.21	0.73	-94.83
O=C([N-]NC(=O)C1=CC=CC(OC(F)F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019676403	1	36	-2.0	-95.54	340.28	0.72	-94.82
O=C(NCC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300019676488	1	37	-2.0	-83.57	346.32	1.27	-82.30
O=C(NCC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300019676488	1	37	-2.0	-83.56	346.38	1.28	-82.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)C=C1C	REAL300019676541	1	43	-2.0	-91.43	378.35	2.41	-89.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)C=C1C	REAL300019676541	1	43	-2.0	-91.46	378.40	2.42	-89.04
O=C(NCC1=N[N-]N=N1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300019676550	1	37	-2.0	-83.74	346.55	1.25	-82.49
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)=C1C	REAL300019676555	1	43	-2.0	-84.68	377.01	2.50	-82.18
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)=C1C	REAL300019676555	1	43	-2.0	-84.69	377.07	2.52	-82.17
O=C(NCC1=N[N-]N=N1)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300019676572	1	37	-2.0	-81.17	352.80	1.32	-79.85
O=C(NCC1=NN=N[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300019676572	1	37	-2.0	-81.15	352.86	1.33	-79.82
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)C=C1C	REAL300019676607	1	43	-2.0	-85.80	378.49	2.41	-83.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)C=C1C	REAL300019676607	1	43	-2.0	-85.82	378.55	2.43	-83.39
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)=C1	REAL300019676634	1	43	-2.0	-90.72	376.82	2.64	-88.08
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)=C1	REAL300019676634	1	43	-2.0	-90.73	376.87	2.65	-88.08
O=C(NCC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300019676636	1	37	-2.0	-81.21	352.62	1.32	-79.89
O=C(NCC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300019676636	1	37	-2.0	-81.23	352.67	1.34	-79.89
O=C(NCC1=N[N-]N=N1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300019676638	1	37	-2.0	-85.07	356.85	1.70	-83.37
O=C(NCC1=NN=N[N-]1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300019676638	1	37	-2.0	-85.07	356.91	1.71	-83.36
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019676639	0	41	-2.0	-93.59	369.36	0.53	-93.06
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019676639	1	41	-2.0	-93.65	369.41	0.54	-93.11
O=C(NCC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300019676714	1	37	-2.0	-90.18	339.93	1.20	-88.98
O=C(NCC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300019676714	1	37	-2.0	-90.23	339.99	1.22	-89.01
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NCC1=N[N-]N=N1	REAL300019676720	0	30	-2.0	-100.29	297.59	-2.48	-102.77
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NCC1=NN=N[N-]1	REAL300019676720	1	30	-2.0	-100.25	297.65	-2.47	-102.72
O=C(NCC1=N[N-]N=N1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300019676721	1	37	-2.0	-89.95	340.10	1.20	-88.75
O=C(NCC1=NN=N[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300019676721	1	37	-2.0	-89.97	340.16	1.21	-88.76
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)C=C1F	REAL300019676878	1	40	-2.0	-87.31	366.82	1.91	-85.40
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)C=C1F	REAL300019676878	1	40	-2.0	-87.34	366.88	1.92	-85.42
O=C(NCC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)C=C1	REAL300019676879	1	37	-2.0	-78.26	356.84	1.72	-76.54
O=C(NCC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)C=C1	REAL300019676879	1	37	-2.0	-78.22	356.89	1.73	-76.49
O=C(NCC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1	REAL300019676940	0	34	-2.0	-83.24	348.90	0.82	-82.42
O=C(NCC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1	REAL300019676940	1	34	-2.0	-83.23	348.96	0.83	-82.40
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019676941	1	40	-2.0	-84.01	366.64	1.90	-82.11
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)=CC=C1F	REAL300019676941	1	40	-2.0	-84.04	366.70	1.91	-82.13
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019676948	0	41	-2.0	-87.30	369.32	0.54	-86.76
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019676948	1	41	-2.0	-87.27	369.38	0.55	-86.72
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)C=C1	REAL300019676949	1	41	-2.0	-82.41	369.62	0.49	-81.92
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)=C1	REAL300019676952	1	40	-2.0	-90.78	361.53	1.86	-88.92
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)=C1	REAL300019676952	1	40	-2.0	-90.76	361.58	1.87	-88.89
O=C(NCC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300019677016	0	34	-2.0	-88.46	331.85	0.20	-88.26
O=C(NCC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300019677016	1	34	-2.0	-88.45	331.91	0.22	-88.23
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)C=C1	REAL300019677027	1	40	-2.0	-84.08	361.50	1.88	-82.20
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)C=C1	REAL300019677027	1	40	-2.0	-84.10	361.56	1.89	-82.21
O=C(NCC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300019677028	1	37	-2.0	-83.44	340.10	1.20	-82.24
O=C(NCC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300019677028	1	37	-2.0	-83.39	340.15	1.21	-82.18
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019677083	0	30	-2.0	-84.42	285.78	-1.62	-86.04
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019677083	1	30	-2.0	-84.40	285.84	-1.61	-86.01
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019677205	0	41	-2.0	-95.53	367.11	0.78	-94.75
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019677205	1	41	-2.0	-95.55	367.16	0.79	-94.76
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300019677206	0	37	-2.0	-96.24	349.53	1.61	-94.63
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300019677206	1	37	-2.0	-96.26	349.58	1.62	-94.64
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300019677244	0	37	-2.0	-91.13	354.35	2.00	-89.13
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300019677244	1	37	-2.0	-91.13	354.41	2.01	-89.12
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300019677255	0	37	-2.0	-90.54	344.02	1.55	-88.99
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300019677255	1	37	-2.0	-90.50	344.08	1.56	-88.94
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC2=N[N-]N=N2)=C1	REAL300019677256	0	43	-2.0	-97.25	374.52	2.92	-94.33
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC2=NN=N[N-]2)=C1	REAL300019677256	1	43	-2.0	-97.23	374.58	2.93	-94.30
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300019677258	0	40	-2.0	-89.61	359.51	2.32	-87.29
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300019677258	1	40	-2.0	-89.60	359.56	2.33	-87.27
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300019677259	0	37	-2.0	-87.98	350.32	1.60	-86.38
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300019677259	1	37	-2.0	-87.98	350.38	1.61	-86.37
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC2=N[N-]N=N2)=CC=C1F	REAL300019677261	0	40	-2.0	-91.25	364.34	2.18	-89.07
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC2=NN=N[N-]2)=CC=C1F	REAL300019677261	1	40	-2.0	-91.20	364.39	2.19	-89.01
COCCCN1C(=O)C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019677262	0	41	-2.0	-78.42	368.87	2.34	-76.08
COCCCN1C(=O)C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019677262	1	41	-2.0	-78.41	368.93	2.35	-76.06
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NCC3=N[N-]N=N3)=CC=C2C)=C1	REAL300019677597	1	43	-2.0	-90.66	376.95	2.63	-88.03
O=C(NCC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1	REAL300019677599	1	37	-2.0	-77.94	346.53	1.27	-76.67
O=C(NCC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1	REAL300019677599	1	37	-2.0	-77.94	346.58	1.28	-76.66
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019677600	1	40	-2.0	-83.44	360.01	1.97	-81.47
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019677600	1	40	-2.0	-83.46	360.07	1.98	-81.48
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019677611	0	33	-2.0	-90.16	300.76	-1.01	-91.17
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019677611	1	33	-2.0	-90.18	300.82	-0.99	-91.17
CSC1=NC(C)=C(CCC(=O)NCC2=N[N-]N=N2)C(=O)[N-]1	REAL300019677626	1	34	-2.0	-88.81	313.02	-0.68	-89.49
CSC1=NC(C)=C(CCC(=O)NCC2=NN=N[N-]2)C(=O)[N-]1	REAL300019677626	1	34	-2.0	-88.75	313.07	-0.67	-89.42
C=CCN1C(=O)C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019677747	0	35	-2.0	-77.27	326.96	3.08	-74.19
C=CCN1C(=O)C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019677747	1	35	-2.0	-77.25	327.02	3.10	-74.15
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=S)[N-]C2=C1	REAL300019677749	0	38	-2.0	-78.68	351.20	3.53	-75.15
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=S)[N-]C2=C1	REAL300019677749	1	38	-2.0	-78.72	351.26	3.54	-75.18
CN1C(=O)C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019677750	0	31	-2.0	-75.96	292.57	1.46	-74.50
CN1C(=O)C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019677750	1	31	-2.0	-75.97	292.63	1.48	-74.49
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NCC1=N[N-]N=N1	REAL300019677767	1	29	-2.0	-93.13	294.37	2.63	-90.50
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NCC1=NN=N[N-]1	REAL300019677767	1	29	-2.0	-93.14	294.43	2.64	-90.50
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=N[N-]N=N1	REAL300019677803	0	36	-2.0	-93.72	325.26	0.57	-93.15
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=NN=N[N-]1	REAL300019677803	1	36	-2.0	-93.74	325.31	0.58	-93.16
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NCC1=N[N-]N=N1	REAL300019677817	1	32	-2.0	-90.79	318.52	3.99	-86.80
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NCC1=NN=N[N-]1	REAL300019677817	1	32	-2.0	-90.79	318.57	4.00	-86.79
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019677818	1	35	-2.0	-95.13	323.20	4.14	-90.99
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019677818	1	35	-2.0	-95.13	323.25	4.16	-90.97
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019677819	1	39	-2.0	-86.56	351.09	3.32	-83.24
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019677819	1	39	-2.0	-86.52	351.14	3.34	-83.18
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=N[N-]N=N1	REAL300019677820	0	31	-2.0	-91.82	296.36	2.06	-89.76
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=NN=N[N-]1	REAL300019677820	1	31	-2.0	-91.85	296.42	2.07	-89.78
O=C(CCCCCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=N[N-]N=N1	REAL300019677821	0	43	-2.0	-85.25	381.44	4.87	-80.38
O=C(CCCCCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=NN=N[N-]1	REAL300019677821	1	43	-2.0	-85.27	381.49	4.89	-80.38
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019677850	1	38	-2.0	-87.93	343.04	4.70	-83.23
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019677850	1	38	-2.0	-87.99	343.09	4.71	-83.28
CCN1C(=O)C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019677851	0	34	-2.0	-76.55	313.69	2.52	-74.03
CCN1C(=O)C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019677851	1	34	-2.0	-76.56	313.75	2.54	-74.02
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=N[N-]N=N1	REAL300019677867	0	34	-2.0	-86.25	316.94	2.51	-83.74
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=NN=N[N-]1	REAL300019677867	1	34	-2.0	-86.23	317.00	2.52	-83.71
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019677909	1	36	-2.0	-93.41	331.24	2.77	-90.64
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019677909	1	36	-2.0	-93.34	331.29	2.78	-90.56
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NCC2=N[N-]N=N2)=C1	REAL300019677910	1	35	-2.0	-95.11	322.86	4.12	-90.99
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NCC2=NN=N[N-]2)=C1	REAL300019677910	1	35	-2.0	-95.07	322.92	4.14	-90.93
O=C(NCC1=N[N-]N=N1)C1=CC(S(=O)(=O)NCC2=CC=CC=C2)=CC=C1[O-]	REAL300019677955	0	41	-2.0	-97.50	374.33	0.81	-96.69
O=C(NCC1=NN=N[N-]1)C1=CC(S(=O)(=O)NCC2=CC=CC=C2)=CC=C1[O-]	REAL300019677955	1	41	-2.0	-97.52	374.38	0.83	-96.69
O=C(NCC1=N[N-]N=N1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300019677961	0	38	-2.0	-97.73	338.78	-0.09	-97.82
O=C(NCC1=NN=N[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300019677961	1	38	-2.0	-97.68	338.84	-0.07	-97.75
O=C(NCC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1O	REAL300019677963	0	35	-2.0	-88.99	340.58	-1.26	-90.25
O=C(NCC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1O	REAL300019677963	1	35	-2.0	-88.95	340.64	-1.25	-90.20
O=C(NCC1=N[N-]N=N1)C1=CC(Br)=CC(Br)=C1[O-]	REAL300019677964	0	23	-2.0	-85.93	258.53	2.05	-83.88
O=C(NCC1=NN=N[N-]1)C1=CC(Br)=CC(Br)=C1[O-]	REAL300019677964	1	23	-2.0	-85.91	258.59	2.06	-83.85
O=C(CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)NCC1=N[N-]N=N1	REAL300019678057	0	37	-2.0	-94.29	356.68	0.89	-93.40
O=C(CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)NCC1=NN=N[N-]1	REAL300019678057	1	37	-2.0	-94.27	356.74	0.90	-93.37
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)[N-]1	REAL300019678079	0	39	-2.0	-88.17	351.26	2.32	-85.85
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)[N-]1	REAL300019678079	1	39	-2.0	-88.19	351.32	2.34	-85.85
O=C(NCC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300019678112	1	36	-2.0	-79.66	335.14	-0.57	-80.23
O=C(NCC1=NN=N[N-]1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019678145	0	30	-2.0	-78.41	276.96	-3.49	-81.90
O=C(NCC1=N[N-]N=N1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019678145	1	30	-2.0	-78.39	276.91	-3.51	-81.90
O=C(NCC1=N[N-]N=N1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300019678252	0	34	-2.0	-88.40	332.04	0.20	-88.20
O=C(NCC1=NN=N[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300019678252	1	34	-2.0	-88.43	332.09	0.22	-88.21
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300019678407	0	36	-2.0	-91.44	322.34	0.00	-91.44
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300019678407	1	36	-2.0	-91.41	322.39	0.02	-91.39
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300019678633	0	33	-2.0	-90.95	300.84	-0.78	-91.73
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300019678633	1	33	-2.0	-90.93	300.89	-0.77	-91.70
CC(C(=O)NCC1=N[N-]N=N1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019678651	1	32	-2.0	-96.15	305.32	2.66	-93.49
CC(C(=O)NCC1=NN=N[N-]1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019678651	1	32	-2.0	-96.11	305.38	2.68	-93.43
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)NCC3=NN=N[N-]3)SC=C2)C=N1	REAL300019678655	0	34	-2.0	-99.48	331.94	-0.88	-100.36
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)NCC3=N[N-]N=N3)SC=C2)C=N1	REAL300019678655	1	34	-2.0	-99.51	331.88	-0.89	-100.40
CC1=C(CC(=O)NCC2=N[N-]N=N2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019678711	0	35	-2.0	-105.28	320.20	-1.47	-106.75
CC1=C(CC(=O)NCC2=NN=N[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019678711	1	35	-2.0	-105.29	320.26	-1.45	-106.74
CC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)NCC3=N[N-]N=N3)SC=C2)C=C1	REAL300019678744	0	37	-2.0	-100.21	347.30	2.06	-98.15
CC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)NCC3=NN=N[N-]3)SC=C2)C=C1	REAL300019678744	1	37	-2.0	-100.16	347.36	2.07	-98.09
O=C(NCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300019678778	0	37	-2.0	-93.75	354.32	2.00	-91.75
O=C(NCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300019678778	1	37	-2.0	-93.71	354.38	2.01	-91.70
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300019678804	0	37	-2.0	-91.70	354.34	2.00	-89.70
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300019678804	1	37	-2.0	-91.66	354.39	2.01	-89.65
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCC1=N[N-]N=N1	REAL300019678812	0	34	-2.0	-95.77	299.57	-0.87	-96.64
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCC1=NN=N[N-]1	REAL300019678812	1	34	-2.0	-95.73	299.62	-0.86	-96.59
O=C(CCC(=O)NCC1=N[N-]N=N1)[N-]C1=NN=C(C2CC2)O1	REAL300019678824	0	34	-2.0	-89.44	313.16	-5.11	-94.55
O=C(CCC(=O)NCC1=NN=N[N-]1)[N-]C1=NN=C(C2CC2)O1	REAL300019678824	1	34	-2.0	-89.45	313.22	-5.10	-94.55
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019678829	0	37	-2.0	-95.57	335.16	-2.78	-98.35
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019678829	1	37	-2.0	-95.56	335.22	-2.77	-98.33
O=C(NCC1=N[N-]N=N1)C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019678849	0	30	-2.0	-82.40	299.16	-1.10	-83.50
O=C(NCC1=NN=N[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019678849	1	30	-2.0	-82.41	299.21	-1.08	-83.49
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300019678892	0	31	-2.0	-81.23	297.61	0.84	-80.39
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300019678892	1	31	-2.0	-81.19	297.56	0.83	-80.36
O=C(NCC1=N[N-]N=N1)C1=C(NC(=O)C2=CC=C(Cl)C=C2[O-])SC=C1	REAL300019678949	0	34	-2.0	-84.97	332.23	2.52	-82.45
O=C(NCC1=NN=N[N-]1)C1=C(NC(=O)C2=CC=C(Cl)C=C2[O-])SC=C1	REAL300019678949	1	34	-2.0	-85.02	332.29	2.53	-82.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679050	0	40	-2.0	-97.75	359.03	2.16	-95.59
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679050	1	40	-2.0	-97.76	359.08	2.17	-95.59
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-]	REAL300019680225	0	32	-2.0	-112.73	324.88	2.03	-110.70
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-]	REAL300019680225	1	32	-2.0	-112.74	324.94	2.04	-110.70
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=N[N-]N=N3)=N2)=C1	REAL300019680226	0	33	-2.0	-107.46	304.51	1.11	-106.35
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=NN=N[N-]3)=N2)=C1	REAL300019680226	1	33	-2.0	-107.44	304.56	1.13	-106.31
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=N[N-]N=N3)=N2)=C1	REAL300019680233	0	39	-2.0	-105.57	339.96	2.38	-103.19
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=NN=N[N-]3)=N2)=C1	REAL300019680233	1	39	-2.0	-105.57	340.02	2.40	-103.17
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019680392	0	30	-2.0	-103.64	286.17	0.53	-103.11
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019680392	1	30	-2.0	-103.65	286.22	0.55	-103.10
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CC=CC=C1Br	REAL300019680425	1	25	-2.0	-107.78	258.77	0.87	-106.91
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019680493	0	33	-2.0	-110.13	309.66	1.90	-108.23
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019680493	1	33	-2.0	-110.12	309.71	1.91	-108.21
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019680494	0	30	-2.0	-103.04	296.49	0.98	-102.06
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019680494	1	30	-2.0	-103.03	296.54	1.00	-102.03
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019680495	0	30	-2.0	-100.42	289.51	0.51	-99.91
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019680495	1	30	-2.0	-100.37	289.57	0.52	-99.85
O=C(NCC1=N[N-]N=N1)C1=C([O-])C=NC2=C(Br)C=CC=C21	REAL300019680582	1	28	-2.0	-92.67	282.74	0.10	-92.57
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300019680657	1	25	-2.0	-103.49	272.02	1.34	-102.15
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300019680703	1	25	-2.0	-106.69	270.47	1.28	-105.41
O=C(NCC1=N[N-]N=N1)C1=CN=C(I)C([O-])=C1	REAL300019680705	0	22	-2.0	-78.39	240.88	-1.63	-80.02
O=C(NCC1=NN=N[N-]1)C1=CN=C(I)C([O-])=C1	REAL300019680705	1	22	-2.0	-78.39	240.94	-1.61	-80.00
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019680872	1	25	-2.0	-100.12	264.71	1.14	-98.98
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=N[N-]N=N2)=N1	REAL300019680990	0	36	-2.0	-105.95	321.01	2.20	-103.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=NN=N[N-]2)=N1	REAL300019680990	1	36	-2.0	-105.90	321.06	2.21	-103.69
O=C(NCC1=N[N-]N=N1)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2)=CC=C1F	REAL300019680995	1	37	-2.0	-86.33	351.06	1.34	-84.99
O=C(NCC1=NN=N[N-]1)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2)=CC=C1F	REAL300019680995	1	37	-2.0	-86.37	351.12	1.36	-85.01
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=C(Cl)C=C2C(F)(F)F)C=C1[O-]	REAL300019681011	0	33	-2.0	-103.84	326.38	2.42	-101.42
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=C(Cl)C=C2C(F)(F)F)C=C1[O-]	REAL300019681011	1	33	-2.0	-103.84	326.43	2.44	-101.40
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=N[N-]N=N3)=C(CCO)C2=O)=N1	REAL300019681019	0	41	-2.0	-98.59	365.77	0.09	-98.50
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=NN=N[N-]3)=C(CCO)C2=O)=N1	REAL300019681019	1	41	-2.0	-98.59	365.83	0.10	-98.49
O=C([N-]CC1=CC=C(C(=O)NCC2=N[N-]N=N2)O1)C(F)(F)F	REAL300019681114	0	29	-2.0	-78.31	294.68	-2.77	-81.08
O=C([N-]CC1=CC=C(C(=O)NCC2=NN=N[N-]2)O1)C(F)(F)F	REAL300019681114	1	29	-2.0	-78.32	294.74	-2.76	-81.08
O=C(NCC1=N[N-]N=N1)C1=CC=C(I)C=C1[O-]	REAL300019681197	1	23	-2.0	-91.43	244.60	1.89	-89.54
O=C(NCC1=NN=N[N-]1)C1=CC=C(I)C=C1[O-]	REAL300019681197	1	23	-2.0	-91.40	244.66	1.91	-89.49
O=C(NCC1=N[N-]N=N1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019681203	0	23	-2.0	-89.48	244.34	1.48	-88.00
O=C(NCC1=NN=N[N-]1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019681203	1	23	-2.0	-89.48	244.40	1.50	-87.98
O=CC1=CC=C(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C([O-])=C2)O1	REAL300019681223	0	32	-2.0	-102.91	300.40	2.92	-99.99
O=CC1=CC=C(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C([O-])=C2)O1	REAL300019681223	1	32	-2.0	-102.84	300.46	2.94	-99.90
O=C(NCC1=N[N-]N=N1)C1=C(Br)C(=O)[N-]C=N1	REAL300019681273	0	21	-2.0	-79.42	226.07	-2.45	-81.87
O=C(NCC1=NN=N[N-]1)C1=C(Br)C(=O)[N-]C=N1	REAL300019681273	1	21	-2.0	-79.40	226.13	-2.43	-81.83
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)[N-]CC1=N[N-]N=N1	REAL300019681312	1	29	-2.0	-108.61	287.40	0.40	-108.21
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=NC=CC=C1Br	REAL300019681403	1	24	-2.0	-111.97	253.70	-0.12	-112.09
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NCC3=N[N-]N=N3)=C2)O1	REAL300019681446	1	32	-2.0	-108.59	300.50	2.95	-105.64
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NCC3=NN=N[N-]3)=C2)O1	REAL300019681446	1	32	-2.0	-108.58	300.56	2.96	-105.62
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NCC1=N[N-]N=N1	REAL300019681461	0	27	-2.0	-81.95	286.42	-0.55	-82.50
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NCC1=NN=N[N-]1	REAL300019681461	1	27	-2.0	-81.96	286.48	-0.54	-82.50
O=C(NCC1=N[N-]N=N1)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=CC=C1Cl	REAL300019681494	1	37	-2.0	-90.82	352.64	1.70	-89.12
O=C(NCC1=NN=N[N-]1)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=CC=C1Cl	REAL300019681494	1	37	-2.0	-90.84	352.69	1.72	-89.12
CC1=CC(C(F)(F)C(=O)[N-]CC2=N[N-]N=N2)=CN=C1Cl	REAL300019681577	1	27	-2.0	-98.90	274.06	-0.26	-99.16
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CC=CC(Br)=C1	REAL300019681695	1	25	-2.0	-103.12	264.72	1.13	-101.99
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300019681951	0	22	-2.0	-90.61	244.57	-2.58	-93.19
O=C([N-]CC1=NN=N[N-]1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300019681951	1	22	-2.0	-90.58	244.63	-2.57	-93.15
O=C(NCC1=N[N-]N=N1)C1=C(Br)[N-]N=C1Br	REAL300019681969	1	19	-2.0	-77.95	235.12	-1.58	-79.53
O=C(NCC1=NN=N[N-]1)C1=C(Br)[N-]N=C1Br	REAL300019681969	1	19	-2.0	-77.97	235.17	-1.56	-79.53
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019683609	0	40	-2.0	-89.74	360.16	2.10	-87.64
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019683609	1	40	-2.0	-89.71	360.22	2.09	-87.62
CCOC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(Cl)=C1[O-]	REAL300019683660	1	40	-2.0	-86.92	366.82	4.55	-82.37
CCOC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(Cl)=C1[O-]	REAL300019683660	1	40	-2.0	-86.93	366.88	4.54	-82.39
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019683933	0	40	-2.0	-84.91	366.57	2.16	-82.75
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019683933	1	40	-2.0	-84.93	366.63	2.16	-82.77
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019684423	0	43	-2.0	-89.96	381.55	2.77	-87.19
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019684423	1	43	-2.0	-89.95	381.61	2.76	-87.19
CSC1=NC(C)=C(CCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300019684441	1	44	-2.0	-90.57	393.81	3.10	-87.47
CSC1=NC(C)=C(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300019684441	1	44	-2.0	-90.56	393.87	3.09	-87.47
CN1C(=O)C2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2[N-]C1=S	REAL300019684545	0	41	-2.0	-82.01	373.20	5.37	-76.64
CN1C(=O)C2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2[N-]C1=S	REAL300019684545	1	41	-2.0	-81.93	373.26	5.37	-76.56
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019684566	1	39	-2.0	-95.19	375.22	6.40	-88.79
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019684566	1	39	-2.0	-95.20	375.16	6.41	-88.79
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019684613	0	41	-2.0	-90.38	377.15	5.83	-84.55
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019684613	1	41	-2.0	-90.37	377.21	5.83	-84.54
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Br)=CC=C1[O-]	REAL300019684708	1	33	-2.0	-88.99	318.91	5.20	-83.79
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Br)=CC=C1[O-]	REAL300019684708	1	33	-2.0	-88.97	318.98	5.19	-83.78
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019684709	1	33	-2.0	-89.10	314.41	5.07	-84.03
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019684709	1	33	-2.0	-89.08	314.35	5.09	-83.99
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019684718	1	33	-2.0	-90.53	314.34	5.09	-85.44
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019684718	1	33	-2.0	-90.48	314.40	5.08	-85.40
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019684719	0	33	-2.0	-82.58	315.76	3.51	-79.07
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019684719	1	33	-2.0	-82.52	315.83	3.51	-79.01
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019684727	0	35	-2.0	-87.01	325.77	4.73	-82.28
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019684727	1	35	-2.0	-87.00	325.83	4.73	-82.27
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019684908	0	40	-2.0	-84.57	357.76	0.26	-84.31
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019684908	1	40	-2.0	-84.62	357.69	0.28	-84.34
NC1=NC([O-])=C(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019685411	0	34	-2.0	-99.05	324.13	-1.53	-100.58
NC1=NC([O-])=C(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019685411	1	34	-2.0	-98.99	324.19	-1.54	-100.53
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019685517	0	43	-2.0	-90.94	381.62	2.99	-87.95
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019685517	1	43	-2.0	-90.90	381.68	2.99	-87.91
O=C(CCN1C=C[N-]C(=O)C1=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019685580	1	38	-2.0	-91.62	344.43	1.63	-89.99
O=C(CCN1C=C[N-]C(=O)C1=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019685580	1	38	-2.0	-91.59	344.50	1.62	-89.97
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019685738	1	44	-2.0	-102.72	380.35	2.91	-99.81
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019685738	1	44	-2.0	-102.73	380.42	2.90	-99.83
O=C(CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)[N-]C1=NN=C(C2CC2)O1	REAL300019685758	0	44	-2.0	-91.94	393.95	-1.34	-93.28
O=C(CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)[N-]C1=NN=C(C2CC2)O1	REAL300019685758	1	44	-2.0	-91.97	394.01	-1.34	-93.31
O=C(CN1[N-]C=C2C1=NC=NC2=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019685890	0	37	-2.0	-88.15	342.02	1.90	-86.25
O=C(CN1[N-]C=C2C1=NC=NC2=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019685890	1	37	-2.0	-88.15	342.08	1.89	-86.26
O=C(CCNC(=O)C1=NC=CC=C1[O-])NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019686057	1	42	-2.0	-100.37	376.01	1.99	-98.38
O=C(CCNC(=O)C1=NC=CC=C1[O-])NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019686057	1	42	-2.0	-100.39	375.95	2.00	-98.39
CC1=CC=C(N2[N-]C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CC2=O)C=C1	REAL300019686227	0	43	-2.0	-87.66	380.58	5.35	-82.31
CC1=CC=C(N2[N-]C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CC2=O)C=C1	REAL300019686227	1	43	-2.0	-87.64	380.64	5.34	-82.30
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019686253	0	35	-2.0	-85.31	332.79	2.33	-82.98
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019686253	1	35	-2.0	-85.30	332.85	2.33	-82.97
CCN1[N-]C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC1=O	REAL300019686265	0	36	-2.0	-84.64	327.34	2.05	-82.59
CCN1[N-]C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC1=O	REAL300019686265	1	36	-2.0	-84.63	327.40	2.05	-82.58
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019686358	0	41	-2.0	-89.71	365.24	2.67	-87.04
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019686358	1	41	-2.0	-89.75	365.18	2.68	-87.07
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=N2)C=C1	REAL300019686362	0	44	-2.0	-100.10	390.02	3.54	-96.56
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=N2)C=C1	REAL300019686362	1	44	-2.0	-100.09	390.08	3.53	-96.56
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019686363	0	40	-2.0	-96.34	366.95	4.31	-92.03
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019686363	1	40	-2.0	-96.34	367.01	4.30	-92.04
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CC2=O)=N1	REAL300019686364	0	44	-2.0	-96.01	396.09	5.76	-90.25
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CC2=O)=N1	REAL300019686364	1	44	-2.0	-96.00	396.15	5.75	-90.25
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019686365	0	40	-2.0	-104.48	365.05	4.40	-100.08
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019686365	1	40	-2.0	-104.48	365.11	4.39	-100.09
O=C(CSC1=N[N-]C(=S)S1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019686456	0	32	-2.0	-81.66	338.33	2.90	-78.76
O=C(CSC1=N[N-]C(=S)S1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019686456	1	32	-2.0	-81.60	338.39	2.90	-78.70
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019686491	0	43	-2.0	-97.05	388.28	5.27	-91.78
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019686491	1	43	-2.0	-97.02	388.35	5.26	-91.76
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019686688	0	35	-2.0	-80.93	327.99	3.59	-77.34
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019686688	1	35	-2.0	-80.90	328.05	3.58	-77.32
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NNC(=O)[N-]C1=O	REAL300019686775	0	31	-2.0	-84.91	294.36	-2.65	-87.56
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC(=O)[N-]C1=O	REAL300019686775	1	31	-2.0	-84.87	294.42	-2.65	-87.52
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Br)=C1[O-]	REAL300019686789	0	33	-2.0	-90.29	318.04	5.21	-85.08
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Br)=C1[O-]	REAL300019686789	1	33	-2.0	-90.35	318.10	5.20	-85.15
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019686804	0	35	-2.0	-96.08	323.63	5.83	-90.25
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019686804	1	35	-2.0	-96.07	323.69	5.82	-90.25
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019686873	0	35	-2.0	-83.31	325.79	5.24	-78.07
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019686873	1	35	-2.0	-83.28	325.86	5.23	-78.05
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Br)C=C1[O-]	REAL300019686874	1	33	-2.0	-90.50	318.90	5.20	-85.30
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Br)C=C1[O-]	REAL300019686874	1	33	-2.0	-90.50	318.97	5.19	-85.31
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019686877	0	39	-2.0	-91.47	356.81	7.31	-84.16
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019686877	1	39	-2.0	-91.50	356.88	7.30	-84.20
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C=CC=C1Cl	REAL300019686889	1	33	-2.0	-89.35	319.01	3.28	-86.07
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C=CC=C1Cl	REAL300019686889	1	33	-2.0	-89.38	319.07	3.27	-86.11
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019687137	0	33	-2.0	-91.29	313.65	5.10	-86.19
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019687137	1	33	-2.0	-91.25	313.71	5.09	-86.16
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019687186	1	36	-2.0	-89.12	336.35	5.57	-83.55
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019687186	1	36	-2.0	-89.14	336.29	5.57	-83.57
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([O-])C=C1F	REAL300019687190	1	33	-2.0	-84.40	304.36	3.02	-81.38
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([O-])C=C1F	REAL300019687190	1	33	-2.0	-84.45	304.30	3.03	-81.42
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([O-])C(F)=C1	REAL300019687368	1	33	-2.0	-86.17	305.97	3.02	-83.15
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([O-])C(F)=C1	REAL300019687368	1	33	-2.0	-86.14	306.03	3.01	-83.13
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019687392	0	38	-2.0	-84.24	362.35	1.22	-83.02
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019687392	1	38	-2.0	-84.21	362.28	1.23	-82.98
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019687393	0	37	-2.0	-87.83	335.48	2.99	-84.84
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019687393	1	37	-2.0	-87.85	335.54	2.98	-84.87
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019687394	0	33	-2.0	-83.11	321.97	3.58	-79.53
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019687394	1	33	-2.0	-83.10	322.04	3.57	-79.53
CC1=CN=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C([O-])=C1	REAL300019687404	1	35	-2.0	-94.21	316.30	3.50	-90.71
CC1=CN=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C([O-])=C1	REAL300019687404	1	35	-2.0	-94.18	316.36	3.49	-90.69
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019687416	0	41	-2.0	-80.45	363.85	1.85	-78.60
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019687416	1	41	-2.0	-80.42	363.91	1.84	-78.58
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019687462	0	35	-2.0	-85.49	325.74	4.75	-80.74
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019687462	1	35	-2.0	-85.45	325.80	4.75	-80.70
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019687465	0	33	-2.0	-87.46	316.63	3.13	-84.33
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019687465	1	33	-2.0	-87.43	316.69	3.13	-84.30
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019687472	0	33	-2.0	-86.41	312.17	3.10	-83.31
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019687472	1	33	-2.0	-86.42	312.24	3.09	-83.33
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019687509	0	35	-2.0	-87.18	325.84	5.23	-81.95
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019687509	1	35	-2.0	-87.18	325.78	5.24	-81.94
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019687543	0	38	-2.0	-76.29	345.05	0.84	-75.45
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019687543	1	38	-2.0	-76.26	345.12	0.83	-75.43
N#CC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[O-]	REAL300019687634	1	34	-2.0	-85.37	319.93	3.37	-82.00
N#CC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[O-]	REAL300019687634	1	34	-2.0	-85.38	320.00	3.37	-82.01
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C=CC=C1F	REAL300019687693	1	33	-2.0	-90.04	309.52	2.90	-87.14
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C=CC=C1F	REAL300019687693	1	33	-2.0	-89.97	309.58	2.89	-87.08
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300019687710	1	34	-2.0	-82.32	319.99	2.43	-79.89
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300019687710	1	34	-2.0	-82.29	320.05	2.42	-79.87
N#CC1=CC([O-])=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019687743	1	34	-2.0	-82.05	320.70	3.30	-78.75
N#CC1=CC([O-])=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019687743	1	34	-2.0	-82.15	320.64	3.31	-78.84
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019687771	0	33	-2.0	-85.70	319.78	-0.75	-86.45
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019687771	1	33	-2.0	-85.67	319.84	-0.76	-86.43
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019687811	1	35	-2.0	-90.50	332.80	5.83	-84.67
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019687811	1	35	-2.0	-90.52	332.86	5.82	-84.70
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=N2)=C1	REAL300019687966	0	43	-2.0	-103.80	385.29	4.89	-98.91
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=N2)=C1	REAL300019687966	1	43	-2.0	-103.78	385.36	4.88	-98.90
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019688017	1	35	-2.0	-83.47	320.11	2.80	-80.67
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019688017	1	35	-2.0	-83.46	320.17	2.79	-80.67
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=CC([O-])=C1F	REAL300019688102	1	33	-2.0	-86.86	315.89	2.87	-83.99
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=CC([O-])=C1F	REAL300019688102	1	33	-2.0	-86.81	315.95	2.86	-83.95
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC([O-])=CS1	REAL300019688182	0	30	-2.0	-89.22	292.03	1.87	-87.35
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC([O-])=CS1	REAL300019688182	1	30	-2.0	-89.19	292.09	1.86	-87.33
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019688259	0	35	-2.0	-86.71	332.84	2.34	-84.37
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019688259	1	35	-2.0	-86.68	332.90	2.33	-84.35
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019688301	0	40	-2.0	-97.75	366.95	4.31	-93.44
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019688301	1	40	-2.0	-97.74	367.01	4.30	-93.44
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019688339	1	38	-2.0	-98.00	340.11	5.19	-92.81
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019688339	1	38	-2.0	-97.98	340.17	5.18	-92.80
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019688522	0	40	-2.0	-97.65	377.27	4.76	-92.89
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019688522	1	40	-2.0	-97.62	377.34	4.75	-92.87
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019688523	0	40	-2.0	-98.18	370.30	4.28	-93.90
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019688523	1	40	-2.0	-98.16	370.36	4.28	-93.88
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019688643	0	38	-2.0	-87.84	342.61	2.46	-85.38
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019688643	1	38	-2.0	-87.86	342.67	2.45	-85.41
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019688750	0	40	-2.0	-100.81	360.54	4.24	-96.57
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019688750	1	40	-2.0	-100.80	360.60	4.23	-96.57
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019688854	0	38	-2.0	-94.48	351.82	-0.48	-94.96
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019688854	1	38	-2.0	-94.55	351.76	-0.47	-95.02
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019688972	0	36	-2.0	-91.31	335.13	5.60	-85.71
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019688972	1	36	-2.0	-91.30	335.07	5.61	-85.69
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019688976	0	38	-2.0	-87.86	349.03	2.69	-85.17
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019688976	1	38	-2.0	-87.80	349.09	2.69	-85.11
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019689064	0	35	-2.0	-88.59	340.34	6.34	-82.25
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019689064	1	35	-2.0	-88.59	340.41	6.33	-82.26
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019689095	1	38	-2.0	-102.23	338.45	5.03	-97.20
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019689095	1	38	-2.0	-102.29	338.39	5.04	-97.25
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689122	0	36	-2.0	-87.28	324.98	1.87	-85.41
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689122	1	36	-2.0	-87.28	324.92	1.88	-85.40
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689122	1	36	-2.0	-87.26	325.04	1.88	-85.38
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689122	1	36	-2.0	-87.31	324.97	1.89	-85.42
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=C(Br)C=C1[O-]	REAL300019690340	0	32	-2.0	-87.06	316.17	3.46	-83.60
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=C(Br)C=C1[O-]	REAL300019690340	1	32	-2.0	-87.07	316.23	3.45	-83.62
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)O1	REAL300019690502	1	42	-2.0	-103.12	381.28	6.73	-96.39
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)O1	REAL300019690502	1	42	-2.0	-103.12	381.35	6.72	-96.40
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019690537	0	37	-2.0	-82.31	367.24	3.24	-79.07
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690537	1	37	-2.0	-82.24	367.30	3.23	-79.01
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019690554	0	33	-2.0	-85.79	330.37	5.61	-80.18
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019690554	1	33	-2.0	-85.81	330.43	5.60	-80.21
CC1=CC(C=O)=C([O-])C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019690563	1	38	-2.0	-102.47	340.08	6.09	-96.38
CC1=CC(C=O)=C([O-])C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019690563	1	38	-2.0	-102.47	340.15	6.09	-96.38
CC(C)CN1[N-]C(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC1=O	REAL300019690665	0	45	-2.0	-91.84	385.45	3.97	-87.87
CC(C)CN1[N-]C(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC1=O	REAL300019690665	1	45	-2.0	-91.82	385.51	3.97	-87.85
COC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019690734	0	39	-2.0	-88.45	354.93	4.57	-83.88
COC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019690734	1	39	-2.0	-88.38	354.99	4.56	-83.82
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019690735	0	33	-2.0	-91.89	320.05	5.13	-86.76
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019690735	1	33	-2.0	-91.93	319.98	5.14	-86.79
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C([O-])=C1	REAL300019690775	1	33	-2.0	-89.03	306.00	2.99	-86.04
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C([O-])=C1	REAL300019690775	1	33	-2.0	-88.97	306.07	2.98	-85.99
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019690780	0	33	-2.0	-85.27	315.80	3.48	-81.79
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019690780	1	33	-2.0	-85.24	315.87	3.47	-81.77
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)O2)[N-]1	REAL300019690897	1	39	-2.0	-82.64	361.23	3.27	-79.37
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)O2)[N-]1	REAL300019690897	1	39	-2.0	-82.62	361.30	3.26	-79.36
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1[O-]	REAL300019690928	0	33	-2.0	-96.07	303.84	4.63	-91.44
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(F)=C1[O-]	REAL300019690928	1	33	-2.0	-96.00	303.91	4.63	-91.37
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019690953	0	33	-2.0	-88.68	310.31	4.69	-83.99
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019690953	1	33	-2.0	-88.79	310.24	4.70	-84.09
COCC1=NC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300019691200	1	38	-2.0	-84.64	340.86	0.18	-84.46
COCC1=NC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300019691200	1	38	-2.0	-84.56	340.93	0.17	-84.39
CC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019691339	0	38	-2.0	-85.25	345.79	5.48	-79.77
CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019691339	1	38	-2.0	-85.23	345.85	5.47	-79.76
O=C([N-]CC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300019691342	0	32	-2.0	-78.33	325.36	1.14	-77.19
O=C([N-]CC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300019691342	1	32	-2.0	-78.29	325.42	1.14	-77.15
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C([O-])=C1F	REAL300019691344	0	33	-2.0	-93.35	310.35	3.08	-90.27
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C([O-])=C1F	REAL300019691344	1	33	-2.0	-93.38	310.42	3.07	-90.31
CC1=CC([O-])=C(Cl)C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019691358	0	36	-2.0	-83.20	331.87	4.20	-79.00
CC1=CC([O-])=C(Cl)C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019691358	1	36	-2.0	-83.25	331.80	4.20	-79.05
N#CC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300019691528	0	33	-2.0	-80.05	312.79	1.43	-78.62
N#CC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300019691528	1	33	-2.0	-79.99	312.86	1.43	-78.56
CN1C(=S)[N-]N=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019691891	1	32	-2.0	-83.15	306.27	3.54	-79.61
CN1C(=S)[N-]N=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019691891	1	32	-2.0	-83.10	306.34	3.54	-79.56
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019691915	0	41	-2.0	-99.96	368.04	0.50	-99.46
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019691915	1	41	-2.0	-99.95	368.10	0.49	-99.46
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019693493	0	38	-2.0	-89.72	337.65	-0.75	-90.47
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019693493	1	38	-2.0	-89.73	337.70	-0.73	-90.46
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019694058	0	41	-2.0	-96.32	352.36	-0.14	-96.46
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019694058	1	41	-2.0	-96.36	352.42	-0.12	-96.48
CSC1=NC(C)=C(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019694080	1	42	-2.0	-93.39	364.13	0.71	-92.68
CSC1=NC(C)=C(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300019694080	1	42	-2.0	-93.33	364.18	0.73	-92.60
C=CCN1C(=O)C2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300019694208	0	43	-2.0	-82.45	377.19	4.10	-78.35
C=CCN1C(=O)C2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300019694208	1	43	-2.0	-82.49	377.24	4.13	-78.36
CN1C(=O)C2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300019694209	0	39	-2.0	-82.23	342.63	2.61	-79.62
CN1C(=O)C2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300019694209	1	39	-2.0	-82.22	342.69	2.63	-79.59
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019694235	1	37	-2.0	-102.76	344.39	3.93	-98.83
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019694235	1	37	-2.0	-102.77	344.45	3.95	-98.82
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019694289	1	43	-2.0	-105.28	373.17	5.42	-99.86
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019694289	1	43	-2.0	-105.29	373.22	5.45	-99.84
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCOC(C2=N[N-]N=N2)C1	REAL300019694290	0	39	-2.0	-98.45	346.37	3.37	-95.08
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCOC(C2=NN=N[N-]2)C1	REAL300019694290	1	39	-2.0	-98.46	346.43	3.39	-95.07
CCN1C(=O)C2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300019694321	0	42	-2.0	-84.36	363.09	3.50	-80.86
CCN1C(=O)C2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300019694321	1	42	-2.0	-84.35	363.15	3.53	-80.82
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCOC(C2=N[N-]N=N2)C1	REAL300019694341	0	42	-2.0	-90.87	366.94	3.86	-87.01
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCOC(C2=NN=N[N-]2)C1	REAL300019694341	1	42	-2.0	-90.91	367.00	3.89	-87.02
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019694377	1	43	-2.0	-105.64	373.19	5.44	-100.20
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019694377	1	43	-2.0	-105.61	373.24	5.47	-100.14
O=C(C1=CC(Br)=CC=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019694424	1	31	-2.0	-96.97	289.71	1.69	-95.28
O=C(C1=CC(Br)=CC=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019694424	1	31	-2.0	-96.90	289.77	1.71	-95.19
O=C(C1=CC(Cl)=CC=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019694425	1	31	-2.0	-97.00	285.15	1.58	-95.42
O=C(C1=CC(Cl)=CC=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019694425	1	31	-2.0	-97.01	285.21	1.61	-95.40
O=C(C1=CC=C(Cl)C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019694432	1	31	-2.0	-99.79	284.53	1.49	-98.30
O=C(C1=CC=C(Cl)C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019694432	1	31	-2.0	-99.80	284.58	1.51	-98.29
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019694433	0	31	-2.0	-87.36	284.36	0.74	-86.62
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019694433	1	31	-2.0	-87.37	284.42	0.75	-86.62
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019694437	1	37	-2.0	-106.27	315.02	3.05	-103.22
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019694437	1	37	-2.0	-106.29	315.07	3.06	-103.23
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019694440	0	33	-2.0	-83.43	294.23	1.95	-81.48
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019694440	1	33	-2.0	-83.39	294.28	1.97	-81.42
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019694649	0	38	-2.0	-85.97	326.96	-2.51	-88.48
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019694649	1	38	-2.0	-85.94	327.02	-2.48	-88.42
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019694977	0	44	-2.0	-95.45	374.18	0.85	-94.60
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019694977	1	44	-2.0	-95.48	374.23	0.88	-94.60
NC1=NC([O-])=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL300019695195	0	32	-2.0	-106.79	293.38	-3.95	-110.74
NC1=NC([O-])=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL300019695195	1	32	-2.0	-106.79	293.44	-3.93	-110.72
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019695318	0	41	-2.0	-94.94	352.68	0.06	-94.88
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695318	1	41	-2.0	-94.96	352.74	0.09	-94.87
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019695351	1	40	-2.0	-92.79	352.94	3.79	-89.00
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019695351	1	40	-2.0	-92.80	353.00	3.81	-88.99
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019695385	1	36	-2.0	-93.07	313.68	-0.80	-93.87
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695385	1	36	-2.0	-93.05	313.74	-0.78	-93.83
CC1=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019695411	0	43	-2.0	-114.16	371.12	-0.07	-114.23
CC1=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019695411	1	43	-2.0	-114.19	371.17	-0.05	-114.24
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019695564	1	42	-2.0	-109.26	349.61	0.48	-108.78
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695564	1	42	-2.0	-109.25	349.66	0.51	-108.74
O=C(CCC(=O)N1CCOC(C2=N[N-]N=N2)C1)[N-]C1=NN=C(C2CC2)O1	REAL300019695584	0	42	-2.0	-93.34	363.16	-3.76	-97.10
O=C(CCC(=O)N1CCOC(C2=NN=N[N-]2)C1)[N-]C1=NN=C(C2CC2)O1	REAL300019695584	1	42	-2.0	-93.35	363.21	-3.74	-97.09
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019695746	0	35	-2.0	-95.48	311.23	-0.58	-96.06
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695746	1	35	-2.0	-95.46	311.29	-0.55	-96.01
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019695934	1	40	-2.0	-107.02	345.17	-0.41	-107.43
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019695934	1	40	-2.0	-107.03	345.23	-0.39	-107.42
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1	REAL300019696104	1	39	-2.0	-106.66	357.10	-6.64	-113.30
CC1=CC=C(N2[N-]C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CC2=O)C=C1	REAL300019696114	0	41	-2.0	-94.40	346.37	3.17	-91.23
CC1=CC=C(N2[N-]C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CC2=O)C=C1	REAL300019696114	1	41	-2.0	-94.37	346.43	3.19	-91.18
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019696142	0	33	-2.0	-82.09	301.32	-0.45	-82.54
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696142	1	33	-2.0	-82.09	301.38	-0.43	-82.52
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019696249	0	39	-2.0	-99.39	344.30	-0.31	-99.70
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019696249	1	39	-2.0	-99.42	344.24	-0.34	-99.76
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300019696253	0	42	-2.0	-108.12	356.36	1.35	-106.77
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300019696253	1	42	-2.0	-108.07	356.42	1.38	-106.69
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019696254	0	38	-2.0	-104.57	333.29	2.12	-102.45
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019696254	1	38	-2.0	-104.59	333.34	2.15	-102.44
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CC2=O)=N1	REAL300019696255	0	42	-2.0	-103.83	361.89	3.55	-100.28
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CC2=O)=N1	REAL300019696255	1	42	-2.0	-103.81	361.95	3.58	-100.23
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019696256	0	38	-2.0	-111.91	330.21	2.16	-109.75
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019696256	1	38	-2.0	-111.95	330.27	2.18	-109.77
O=C(CSC1=N[N-]C(=S)S1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019696351	0	30	-2.0	-81.03	307.55	0.51	-80.52
O=C(CSC1=N[N-]C(=S)S1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696351	1	30	-2.0	-81.02	307.60	0.54	-80.48
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL300019696383	0	41	-2.0	-104.61	359.39	2.48	-102.13
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL300019696383	1	41	-2.0	-104.62	359.45	2.50	-102.12
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300019696505	0	47	-2.0	-108.05	387.07	3.98	-104.07
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300019696505	1	47	-2.0	-108.00	387.13	4.01	-103.99
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019696586	0	33	-2.0	-82.12	296.44	0.81	-81.31
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696586	1	33	-2.0	-82.10	296.50	0.83	-81.27
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL300019696589	0	47	-2.0	-90.80	402.50	1.48	-89.32
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL300019696589	1	47	-2.0	-90.80	402.56	1.51	-89.29
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)S1	REAL300019696635	0	44	-2.0	-90.83	383.57	0.69	-90.14
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)S1	REAL300019696635	1	44	-2.0	-90.80	383.63	0.72	-90.08
O=C(C1=CC=CC(Br)=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019696694	0	31	-2.0	-99.44	288.84	1.73	-97.71
O=C(C1=CC=CC(Br)=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019696694	1	31	-2.0	-99.40	288.90	1.75	-97.65
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C([O-])=C1	REAL300019696699	1	48	-2.0	-116.59	386.13	1.66	-114.93
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019696709	0	33	-2.0	-106.44	294.70	2.35	-104.09
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019696709	1	33	-2.0	-106.45	294.76	2.37	-104.08
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019696776	0	33	-2.0	-88.77	296.59	1.74	-87.03
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019696776	1	33	-2.0	-88.78	296.64	1.77	-87.01
O=C(C1=CC=C(Br)C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019696777	1	31	-2.0	-99.70	289.11	1.59	-98.11
O=C(C1=CC=C(Br)C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019696777	1	31	-2.0	-99.70	289.16	1.61	-98.09
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019696780	0	37	-2.0	-96.83	327.89	3.50	-93.33
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696780	1	37	-2.0	-96.78	327.95	3.52	-93.26
O=C(C1=C([O-])C=CC=C1Cl)N1CCOC(C2=N[N-]N=N2)C1	REAL300019696793	1	31	-2.0	-96.58	288.66	0.81	-95.77
O=C(C1=C([O-])C=CC=C1Cl)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696793	1	31	-2.0	-96.53	288.72	0.84	-95.69
O=C(C1=CC=CC(Cl)=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019697032	0	31	-2.0	-100.47	284.46	1.62	-98.85
O=C(C1=CC=CC(Cl)=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019697032	1	31	-2.0	-100.44	284.51	1.63	-98.81
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019697078	1	34	-2.0	-98.17	306.48	1.97	-96.20
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019697078	1	34	-2.0	-98.16	306.54	1.99	-96.17
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698238	1	36	-2.0	-103.67	308.81	2.73	-100.94
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698238	1	36	-2.0	-103.61	308.86	2.75	-100.86
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019698408	0	38	-2.0	-106.54	343.58	2.57	-103.97
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019698408	1	38	-2.0	-106.54	343.64	2.60	-103.94
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019698409	0	38	-2.0	-107.27	336.30	2.07	-105.20
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019698409	1	38	-2.0	-107.19	336.36	2.09	-105.10
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019698625	0	38	-2.0	-109.12	326.85	2.05	-107.07
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019698625	1	38	-2.0	-109.04	326.91	2.08	-106.96
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019698719	0	36	-2.0	-103.82	322.59	-3.98	-107.80
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019698719	1	36	-2.0	-103.81	322.65	-3.95	-107.76
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019698836	0	34	-2.0	-93.47	306.12	1.70	-91.77
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019698836	1	34	-2.0	-93.51	306.18	1.73	-91.78
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698839	0	36	-2.0	-92.58	317.52	-0.09	-92.67
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698839	1	36	-2.0	-92.55	317.58	-0.07	-92.62
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019698916	0	33	-2.0	-89.94	311.39	2.86	-87.08
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019698916	1	33	-2.0	-89.90	311.45	2.87	-87.03
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698947	1	36	-2.0	-106.41	309.48	1.25	-105.16
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698947	1	36	-2.0	-106.37	309.54	1.27	-105.10
O=C(C1=NC=C(Br)C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019700202	0	30	-2.0	-91.65	284.79	0.99	-90.66
O=C(C1=NC=C(Br)C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019700202	1	30	-2.0	-91.65	284.85	1.01	-90.64
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=C2)O1	REAL300019700372	1	40	-2.0	-96.27	352.00	2.23	-94.04
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=C2)O1	REAL300019700372	1	40	-2.0	-96.29	352.05	2.26	-94.03
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019700406	0	35	-2.0	-83.41	336.83	0.76	-82.65
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700406	1	35	-2.0	-83.42	336.89	0.79	-82.63
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019700424	0	31	-2.0	-93.39	301.17	2.12	-91.27
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019700424	1	31	-2.0	-93.38	301.23	2.14	-91.24
CC1=CC(C=O)=C([O-])C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019700430	1	36	-2.0	-95.92	311.83	1.55	-94.37
CC1=CC(C=O)=C([O-])C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019700430	1	36	-2.0	-95.94	311.89	1.57	-94.37
CC(C)CN1[N-]C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC1=O	REAL300019700539	0	43	-2.0	-99.44	354.66	1.55	-97.89
CC(C)CN1[N-]C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC1=O	REAL300019700539	1	43	-2.0	-99.42	354.71	1.57	-97.85
COC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019700605	0	37	-2.0	-88.42	323.44	1.79	-86.63
COC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019700605	1	37	-2.0	-88.44	323.50	1.82	-86.62
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019700606	0	31	-2.0	-93.69	291.04	1.20	-92.49
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019700606	1	31	-2.0	-93.70	291.10	1.23	-92.47
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019700648	0	31	-2.0	-88.74	284.37	0.71	-88.03
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700648	1	31	-2.0	-88.75	284.43	0.72	-88.03
COC(=O)C1=CC2=C(C=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)O2)[N-]1	REAL300019700766	1	37	-2.0	-90.67	327.24	0.77	-89.90
COC(=O)C1=CC2=C(C=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)O2)[N-]1	REAL300019700766	1	37	-2.0	-90.70	327.30	0.79	-89.91
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019700823	0	31	-2.0	-91.64	281.27	0.82	-90.82
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019700823	1	31	-2.0	-91.66	281.33	0.84	-90.82
COCC1=NC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019701085	1	36	-2.0	-96.79	316.36	-2.69	-99.48
COCC1=NC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300019701085	1	36	-2.0	-96.79	316.42	-2.67	-99.46
CC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019701224	0	36	-2.0	-82.77	315.26	2.70	-80.07
CC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019701224	1	36	-2.0	-82.78	315.32	2.72	-80.06
O=C(C1=CC=C(F)C([O-])=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019701228	0	31	-2.0	-93.96	281.36	0.31	-93.65
O=C(C1=CC=C(F)C([O-])=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019701228	1	31	-2.0	-94.01	281.42	0.34	-93.67
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019701241	0	34	-2.0	-82.91	304.79	1.39	-81.52
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019701241	1	34	-2.0	-82.93	304.85	1.41	-81.52
N#CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019701412	0	31	-2.0	-90.26	288.35	-1.43	-91.69
N#CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300019701412	1	31	-2.0	-90.24	288.41	-1.41	-91.65
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019701802	0	39	-2.0	-110.71	328.79	-2.47	-113.18
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019701802	1	39	-2.0	-110.74	328.85	-2.45	-113.19
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702192	0	36	-2.0	-83.24	324.98	0.88	-82.36
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702192	1	36	-2.0	-83.26	325.04	0.89	-82.37
COC1=CC=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703258	0	36	-2.0	-102.02	328.30	1.71	-100.31
COC1=CC=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703258	1	36	-2.0	-102.01	328.37	1.71	-100.30
O=C(COC1=CC=CC=C1O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703307	0	37	-2.0	-97.56	345.28	-0.55	-98.11
O=C(COC1=CC=CC=C1O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703307	1	37	-2.0	-97.51	345.35	-0.54	-98.05
O=C(CN1C=CC2=CC=CC=C21)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703396	0	39	-2.0	-95.14	358.77	3.34	-91.80
O=C(CN1C=CC2=CC=CC=C21)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703396	1	39	-2.0	-95.16	358.83	3.34	-91.82
O=C(CC1=CC=CN=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703519	0	34	-2.0	-93.26	320.43	0.08	-93.18
O=C(CC1=CC=CN=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703519	1	34	-2.0	-93.25	320.50	0.08	-93.17
CN1C(=S)[N-]N=C1C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019703527	1	41	-2.0	-99.70	349.26	5.61	-94.09
CCN1C(=S)[N-]N=C1C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019703530	1	44	-2.0	-100.44	365.63	6.33	-94.11
O=C([N-]NC(=O)C1=CC=CC2=NC=CC=C12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703555	0	37	-2.0	-95.11	336.78	1.49	-93.62
O=C([N-]NC(=O)C1=CC=CC2=NC=CC=C12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703555	1	37	-2.0	-95.10	336.85	1.51	-93.59
O=C([N-]NC(=O)C1CCN(C2=NC=CC=N2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703636	0	45	-2.0	-96.55	389.30	1.96	-94.59
O=C([N-]NC(=O)C1CCN(C2=NC=CC=N2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703636	1	45	-2.0	-96.57	389.37	1.96	-94.61
O=C(CC1=CC=CC=N1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703680	0	34	-2.0	-98.58	319.04	0.24	-98.34
O=C(CC1=CC=CC=N1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703680	1	34	-2.0	-98.57	319.12	0.24	-98.33
O=C(CC1=NNC=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703698	0	32	-2.0	-99.34	304.68	-1.69	-101.03
O=C(CC1=NNC=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703698	1	32	-2.0	-99.27	304.75	-1.69	-100.96
CC(C)(C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300019703813	0	41	-2.0	-94.58	356.22	2.77	-91.81
CC(C)(C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300019703813	1	41	-2.0	-94.53	356.28	2.77	-91.76
O=C(CC1=CC=CC=C1F)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703906	0	35	-2.0	-95.78	331.02	1.90	-93.88
O=C(CC1=CC=CC=C1F)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703906	1	35	-2.0	-95.75	331.09	1.91	-93.84
CC1=CC=C(CC2=NN=C([N-]C(=O)CCCC3=N[N-]N=N3)S2)C=C1	REAL300019703932	0	39	-2.0	-99.67	355.97	4.80	-94.87
CC1=CC=C(CC2=NN=C([N-]C(=O)CCCC3=NN=N[N-]3)S2)C=C1	REAL300019703932	1	39	-2.0	-99.66	356.03	4.81	-94.85
CC1=CC=C(CC2=NN=C([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)S2)C=C1	REAL300019703934	0	39	-2.0	-89.54	367.91	4.64	-84.90
CC1=CC=C(CC2=NN=C([N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)S2)C=C1	REAL300019703934	1	39	-2.0	-89.51	367.98	4.65	-84.86
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=CC=C2F)S1	REAL300019703948	0	36	-2.0	-104.00	340.14	4.15	-99.85
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=CC=C2F)S1	REAL300019703948	1	36	-2.0	-103.99	340.19	4.17	-99.82
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703950	0	36	-2.0	-90.41	351.97	4.01	-86.40
CC1=CC(C2=NN=C([N-]C(=O)CCCC3=N[N-]N=N3)S2)=CC(C)=C1	REAL300019704009	0	39	-2.0	-102.25	354.05	4.68	-97.57
CC1=CC(C2=NN=C([N-]C(=O)CCCC3=NN=N[N-]3)S2)=CC(C)=C1	REAL300019704009	1	39	-2.0	-102.25	354.10	4.69	-97.56
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)S2)=C1	REAL300019704010	0	39	-2.0	-91.90	365.97	4.50	-87.40
O=C([N-]NC(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704013	0	39	-2.0	-95.14	361.95	2.33	-92.81
O=C([N-]NC(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704013	1	39	-2.0	-95.14	362.01	2.33	-92.81
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019704088	1	40	-2.0	-96.46	342.61	0.65	-95.81
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704089	1	43	-2.0	-99.39	366.94	3.58	-95.81
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704090	1	40	-2.0	-90.16	353.21	0.45	-89.71
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704090	1	40	-2.0	-90.17	353.28	0.45	-89.72
CC(C)N1C(=S)[N-]N=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019704449	1	37	-2.0	-87.15	325.04	3.39	-83.76
CC(C)N1C(=S)[N-]N=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019704449	1	37	-2.0	-87.10	325.10	3.40	-83.70
CC(C)N1C(=S)[N-]N=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704451	1	37	-2.0	-82.67	335.64	3.19	-79.48
CC(C)N1C(=S)[N-]N=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL300019704452	1	40	-2.0	-100.94	347.23	4.02	-96.92
O=C(CCCC1=N[N-]N=N1)NN=C1[N-]C(C2=CC=C(Cl)C=C2)=NO1	REAL300019704524	0	35	-2.0	-93.44	338.68	1.53	-91.91
O=C(CCCC1=NN=N[N-]1)NN=C1[N-]C(C2=CC=C(Cl)C=C2)=NO1	REAL300019704524	1	35	-2.0	-93.39	338.74	1.54	-91.85
O=C(NN=C1[N-]C(C2=CC=C(Cl)C=C2)=NO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704525	0	38	-2.0	-102.78	363.04	4.41	-98.37
O=C(NN=C1[N-]C(C2=CC=C(Cl)C=C2)=NO1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019704525	1	38	-2.0	-102.60	363.14	4.42	-98.18
O=C(NN=C1[N-]C(C2=CC=C(Cl)C=C2)=NO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704526	0	35	-2.0	-83.15	349.30	1.31	-81.84
O=C(NN=C1[N-]C(C2=CC=C(Cl)C=C2)=NO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704526	1	35	-2.0	-83.13	349.37	1.32	-81.81
CC(C)N1C(=S)[N-]N=C1C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019704635	1	47	-2.0	-99.09	383.09	6.75	-92.34
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=N[N-]C(=S)N2C2CC2)C1	REAL300019704637	1	45	-2.0	-99.34	372.93	6.71	-92.63
O=C(CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)[N-]C1=NN=CS1	REAL300019704644	0	42	-2.0	-89.13	362.45	-0.29	-89.42
O=C(CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)[N-]C1=NN=CS1	REAL300019704644	1	42	-2.0	-89.12	362.39	-0.31	-89.43
CCC(C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300019704740	0	41	-2.0	-93.34	361.58	2.99	-90.35
CCC(C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300019704740	1	41	-2.0	-93.36	361.65	3.00	-90.36
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300019704782	0	33	-2.0	-87.98	316.05	3.90	-84.08
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300019704782	1	33	-2.0	-87.98	315.99	3.89	-84.09
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704783	0	33	-2.0	-81.06	327.43	3.61	-77.45
O=C(CCCC1=N[N-]N=N1)NN=C1[N-]C(C2=CC=CN=C2)=NO1	REAL300019704891	0	34	-2.0	-96.89	316.94	-0.78	-97.67
O=C(CCCC1=NN=N[N-]1)NN=C1[N-]C(C2=CC=CN=C2)=NO1	REAL300019704891	1	34	-2.0	-96.91	317.00	-0.77	-97.68
O=C(NN=C1[N-]C(C2=CC=CN=C2)=NO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704892	0	37	-2.0	-106.34	341.35	2.08	-104.26
O=C(NN=C1[N-]C(C2=CC=CN=C2)=NO1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019704892	1	37	-2.0	-106.19	341.45	2.10	-104.09
O=C(NN=C1[N-]C(C2=CC=CN=C2)=NO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704893	0	34	-2.0	-86.15	327.56	-0.99	-87.14
O=C(NN=C1[N-]C(C2=CC=CN=C2)=NO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704893	1	34	-2.0	-86.13	327.63	-0.98	-87.11
O=C(CCCC1=N[N-]N=N1)NN=C1[N-]C(C2=CC=CC=C2)=NO1	REAL300019704894	0	35	-2.0	-98.81	321.96	1.01	-97.80
O=C(CCCC1=NN=N[N-]1)NN=C1[N-]C(C2=CC=CC=C2)=NO1	REAL300019704894	1	35	-2.0	-98.83	322.02	1.02	-97.81
O=C(NN=C1[N-]C(C2=CC=CC=C2)=NO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704895	0	38	-2.0	-108.28	346.32	3.89	-104.39
O=C(NN=C1[N-]C(C2=CC=CC=C2)=NO1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019704895	1	38	-2.0	-108.06	346.42	3.90	-104.16
O=C(NN=C1[N-]C(C2=CC=CC=C2)=NO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704896	0	35	-2.0	-88.51	332.58	0.79	-87.72
O=C(NN=C1[N-]C(C2=CC=CC=C2)=NO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704896	1	35	-2.0	-88.51	332.65	0.80	-87.71
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019705093	0	41	-2.0	-93.23	364.87	1.50	-91.73
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019705093	1	41	-2.0	-93.21	364.92	1.52	-91.69
CCOC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC(Cl)=C1[O-]	REAL300019705127	1	41	-2.0	-86.20	371.52	3.96	-82.24
CCOC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC(Cl)=C1[O-]	REAL300019705127	1	41	-2.0	-86.20	371.58	3.98	-82.22
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019706016	1	40	-2.0	-105.78	348.06	6.16	-99.62
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019706016	1	40	-2.0	-105.82	348.11	6.17	-99.65
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Br)=CC=C1[O-]	REAL300019706018	1	34	-2.0	-93.90	323.60	4.49	-89.41
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Br)=CC=C1[O-]	REAL300019706018	1	34	-2.0	-93.90	323.66	4.51	-89.39
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019706019	0	34	-2.0	-94.04	319.04	4.39	-89.65
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019706019	1	34	-2.0	-94.05	319.09	4.41	-89.64
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019706027	0	34	-2.0	-95.64	318.75	4.40	-91.24
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019706027	1	34	-2.0	-95.64	318.81	4.41	-91.23
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019706028	0	34	-2.0	-82.17	320.45	2.92	-79.25
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019706028	1	34	-2.0	-82.19	320.51	2.94	-79.25
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019706033	1	40	-2.0	-102.58	346.96	6.21	-96.37
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019706033	1	40	-2.0	-102.58	347.02	6.23	-96.35
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019706035	0	36	-2.0	-82.28	330.47	4.13	-78.15
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019706035	1	36	-2.0	-82.30	330.53	4.15	-78.15
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300019706132	1	38	-2.0	-80.73	357.27	-1.80	-82.53
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019706132	1	38	-2.0	-80.76	357.33	-1.79	-82.55
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019706185	0	41	-2.0	-87.22	362.38	-0.32	-87.54
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019706185	1	41	-2.0	-87.21	362.44	-0.31	-87.52
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(=O)N[N-]1	REAL300019706281	0	31	-2.0	-80.65	287.24	-1.14	-81.79
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(=O)N[N-]1	REAL300019706281	1	31	-2.0	-80.67	287.18	-1.15	-81.82
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019706394	1	33	-2.0	-74.07	312.05	3.42	-70.65
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019706394	1	33	-2.0	-74.06	312.00	3.41	-70.65
NC1=NC([O-])=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)S1	REAL300019706627	0	35	-2.0	-101.58	328.81	-2.12	-103.70
NC1=NC([O-])=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)S1	REAL300019706627	1	35	-2.0	-101.60	328.87	-2.11	-103.71
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019706775	1	39	-2.0	-92.42	348.84	1.05	-91.37
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019706775	1	39	-2.0	-92.40	348.90	1.06	-91.34
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019706902	1	45	-2.0	-109.34	384.77	2.33	-107.01
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019706902	1	45	-2.0	-109.31	384.82	2.34	-106.97
O=C(CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[N-]C1=NN=C(C2CC2)O1	REAL300019706923	0	45	-2.0	-92.31	398.36	-1.92	-94.23
O=C(CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[N-]C1=NN=C(C2CC2)O1	REAL300019706923	1	45	-2.0	-92.33	398.41	-1.90	-94.23
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(=O)N[N-]1	REAL300019707029	0	31	-2.0	-80.65	287.24	-1.14	-81.79
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(=O)N[N-]1	REAL300019707029	1	31	-2.0	-80.67	287.18	-1.15	-81.82
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019707175	1	43	-2.0	-105.86	380.36	1.42	-104.44
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019707175	1	43	-2.0	-105.90	380.42	1.43	-104.47
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CC2=O)C=C1	REAL300019707328	0	44	-2.0	-87.65	385.02	4.80	-82.85
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=CC2=O)C=C1	REAL300019707328	1	44	-2.0	-87.68	384.97	4.79	-82.89
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019707350	0	36	-2.0	-87.73	337.20	1.76	-85.97
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019707350	1	36	-2.0	-87.72	337.26	1.78	-85.94
CCN1[N-]C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC1=O	REAL300019707360	0	37	-2.0	-84.27	331.79	1.51	-82.76
CCN1[N-]C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC1=O	REAL300019707360	1	37	-2.0	-84.27	331.73	1.49	-82.78
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019707440	0	42	-2.0	-85.21	368.98	2.10	-83.11
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019707440	1	42	-2.0	-85.20	368.93	2.08	-83.12
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019707444	0	41	-2.0	-100.17	371.69	3.72	-96.45
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019707444	1	41	-2.0	-100.17	371.63	3.71	-96.46
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019707445	0	41	-2.0	-107.26	369.78	3.81	-103.45
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019707445	1	41	-2.0	-107.29	369.72	3.80	-103.49
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019707522	0	33	-2.0	-81.68	343.01	2.32	-79.36
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019707522	1	33	-2.0	-81.64	343.06	2.34	-79.30
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019707735	0	36	-2.0	-78.44	332.69	2.98	-75.46
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019707735	1	36	-2.0	-78.43	332.75	3.00	-75.43
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NNC(=O)[N-]C1=O	REAL300019707828	0	32	-2.0	-87.32	299.09	-3.31	-90.63
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NNC(=O)[N-]C1=O	REAL300019707828	1	32	-2.0	-87.30	299.03	-3.32	-90.62
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(Br)=C1[O-]	REAL300019707844	0	34	-2.0	-96.69	322.73	4.52	-92.17
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(Br)=C1[O-]	REAL300019707844	1	34	-2.0	-96.68	322.78	4.53	-92.15
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019707859	0	36	-2.0	-103.51	328.33	5.13	-98.38
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019707859	1	36	-2.0	-103.48	328.39	5.15	-98.33
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=CC=C1[O-]	REAL300019707918	1	34	-2.0	-93.36	308.72	3.94	-89.42
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=CC=C1[O-]	REAL300019707918	1	34	-2.0	-93.37	308.78	3.96	-89.41
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019707919	0	36	-2.0	-86.06	330.48	4.55	-81.51
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019707919	1	36	-2.0	-86.06	330.54	4.56	-81.50
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(Br)C=C1[O-]	REAL300019707920	0	34	-2.0	-95.47	323.31	4.50	-90.97
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Br)C=C1[O-]	REAL300019707920	1	34	-2.0	-95.46	323.37	4.51	-90.95
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019707923	0	40	-2.0	-95.05	361.52	6.63	-88.42
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019707923	1	40	-2.0	-95.05	361.58	6.64	-88.41
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([O-])C=CC=C1Cl	REAL300019707934	0	34	-2.0	-91.45	323.70	2.69	-88.76
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([O-])C=CC=C1Cl	REAL300019707934	1	34	-2.0	-91.42	323.76	2.70	-88.72
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019708153	0	34	-2.0	-97.74	318.34	4.41	-93.33
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019708153	1	34	-2.0	-97.75	318.39	4.42	-93.33
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019708194	1	37	-2.0	-94.28	341.01	4.88	-89.40
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019708194	1	37	-2.0	-94.24	341.07	4.90	-89.34
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C([O-])C=C1F	REAL300019708197	1	34	-2.0	-85.59	308.71	2.45	-83.14
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C([O-])C(F)=C1	REAL300019708352	1	34	-2.0	-85.32	310.65	2.43	-82.89
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C([O-])C(F)=C1	REAL300019708352	1	34	-2.0	-85.32	310.71	2.45	-82.87
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NC=CC=C1[O-]	REAL300019708368	0	33	-2.0	-96.77	299.31	2.18	-94.59
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NC=CC=C1[O-]	REAL300019708368	1	33	-2.0	-96.76	299.25	2.17	-94.59
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019708375	0	39	-2.0	-84.64	366.89	0.63	-84.01
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019708375	1	39	-2.0	-84.62	366.95	0.65	-83.97
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019708376	0	38	-2.0	-84.88	339.87	2.40	-82.48
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019708376	1	38	-2.0	-84.86	339.93	2.42	-82.44
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019708377	0	34	-2.0	-82.76	326.66	2.99	-79.77
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019708377	1	34	-2.0	-82.73	326.72	3.01	-79.72
CC1=CN=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C([O-])=C1	REAL300019708389	0	36	-2.0	-98.20	320.75	2.82	-95.38
CC1=CN=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C([O-])=C1	REAL300019708389	1	36	-2.0	-98.22	320.70	2.80	-95.42
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019708397	0	42	-2.0	-82.39	368.39	1.18	-81.21
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019708397	1	42	-2.0	-82.40	368.44	1.20	-81.20
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019708439	0	36	-2.0	-87.04	330.45	4.16	-82.88
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019708439	1	36	-2.0	-87.06	330.50	4.18	-82.88
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019708442	0	34	-2.0	-90.24	321.04	2.56	-87.68
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019708442	1	34	-2.0	-90.23	321.09	2.58	-87.65
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019708449	0	34	-2.0	-86.21	316.86	2.50	-83.71
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019708449	1	34	-2.0	-86.22	316.92	2.51	-83.71
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019708486	0	36	-2.0	-92.58	330.19	4.54	-88.04
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019708486	1	36	-2.0	-92.61	330.24	4.56	-88.05
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019708516	0	39	-2.0	-74.18	349.64	0.27	-73.91
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019708516	1	39	-2.0	-74.18	349.70	0.28	-73.90
N#CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1[O-]	REAL300019708598	0	35	-2.0	-81.42	324.62	2.79	-78.63
N#CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1[O-]	REAL300019708598	1	35	-2.0	-81.40	324.68	2.81	-78.59
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([O-])C=CC=C1F	REAL300019708655	0	34	-2.0	-90.59	314.21	2.31	-88.28
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([O-])C=CC=C1F	REAL300019708655	1	34	-2.0	-90.58	314.26	2.32	-88.26
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019708701	1	35	-2.0	-78.83	325.04	2.73	-76.10
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019708701	1	35	-2.0	-78.85	325.10	2.74	-76.11
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019708728	0	34	-2.0	-87.14	324.19	-1.33	-88.47
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019708728	1	34	-2.0	-87.15	324.25	-1.32	-88.47
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019708765	1	36	-2.0	-96.29	337.21	5.25	-91.04
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019708765	1	36	-2.0	-96.28	337.27	5.27	-91.01
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019708970	1	36	-2.0	-84.39	325.08	2.23	-82.16
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019708970	1	36	-2.0	-84.43	325.02	2.21	-82.22
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(F)C=CC([O-])=C1F	REAL300019709046	1	34	-2.0	-86.64	320.56	2.28	-84.36
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(F)C=CC([O-])=C1F	REAL300019709046	1	34	-2.0	-86.65	320.62	2.29	-84.36
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC([O-])=CS1	REAL300019709120	0	31	-2.0	-91.11	296.71	1.29	-89.82
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC([O-])=CS1	REAL300019709120	1	31	-2.0	-91.14	296.76	1.30	-89.84
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019709191	0	36	-2.0	-90.87	337.25	1.75	-89.12
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019709191	1	36	-2.0	-90.85	337.31	1.76	-89.09
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019709233	0	41	-2.0	-102.60	371.69	3.72	-98.88
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019709233	1	41	-2.0	-102.60	371.63	3.71	-98.89
CN1[N-]C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC1=O	REAL300019709272	0	34	-2.0	-84.25	310.34	0.56	-83.69
CN1[N-]C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC1=O	REAL300019709272	1	34	-2.0	-84.24	310.28	0.55	-83.69
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019709274	0	39	-2.0	-101.28	344.56	4.52	-96.76
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019709274	1	39	-2.0	-101.27	344.51	4.51	-96.76
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019709574	0	39	-2.0	-85.77	347.34	1.88	-83.89
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019709574	1	39	-2.0	-85.76	347.28	1.87	-83.89
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019709678	0	41	-2.0	-104.44	365.00	3.68	-100.76
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019709678	1	41	-2.0	-104.46	364.95	3.66	-100.80
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019709773	0	39	-2.0	-99.34	356.49	-1.17	-100.51
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019709773	1	39	-2.0	-99.38	356.55	-1.15	-100.53
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019709882	0	37	-2.0	-97.24	339.77	4.92	-92.32
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019709882	1	37	-2.0	-97.22	339.83	4.93	-92.29
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019709886	0	39	-2.0	-93.94	353.72	2.09	-91.85
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019709886	1	39	-2.0	-93.93	353.78	2.11	-91.82
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019709975	0	36	-2.0	-95.17	345.03	5.65	-89.52
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019709975	1	36	-2.0	-95.15	345.09	5.67	-89.48
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019710008	1	39	-2.0	-108.97	343.07	4.36	-104.61
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019710008	1	39	-2.0	-108.95	343.13	4.37	-104.58
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710033	0	37	-2.0	-92.69	329.65	1.30	-91.39
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710033	1	37	-2.0	-92.68	329.60	1.28	-91.40
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710033	1	37	-2.0	-92.68	329.71	1.31	-91.37
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710033	1	37	-2.0	-92.70	329.66	1.30	-91.40
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710062	0	34	-2.0	-83.17	308.15	0.52	-82.65
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710062	1	34	-2.0	-83.17	308.10	0.50	-82.67
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710062	1	34	-2.0	-83.15	308.21	0.53	-82.62
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710062	1	34	-2.0	-83.15	308.15	0.52	-82.63
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C[N-]N=CC1=O	REAL300019711273	0	32	-2.0	-74.10	291.43	0.99	-73.11
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C[N-]N=CC1=O	REAL300019711273	1	32	-2.0	-74.08	291.49	1.01	-73.07
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019711322	0	34	-2.0	-90.78	335.06	4.92	-85.86
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019711322	1	34	-2.0	-90.77	335.11	4.93	-85.84
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019711331	0	39	-2.0	-109.80	344.77	5.40	-104.40
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019711331	1	39	-2.0	-109.82	344.83	5.42	-104.40
CC(C)CN1[N-]C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC1=O	REAL300019711414	0	46	-2.0	-96.95	390.13	3.39	-93.56
CC(C)CN1[N-]C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC1=O	REAL300019711414	1	46	-2.0	-96.97	390.18	3.41	-93.56
COC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019711477	0	40	-2.0	-85.99	359.34	3.99	-82.00
COC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019711477	1	40	-2.0	-86.00	359.39	4.00	-82.00
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019711478	0	34	-2.0	-98.62	324.40	4.44	-94.18
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019711478	1	34	-2.0	-98.69	324.46	4.45	-94.24
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(F)C([O-])=C1	REAL300019711514	1	34	-2.0	-84.76	310.69	2.39	-82.37
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(F)C([O-])=C1	REAL300019711514	1	34	-2.0	-84.77	310.75	2.41	-82.36
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019711517	0	34	-2.0	-81.39	320.49	2.88	-78.51
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019711517	1	34	-2.0	-81.38	320.55	2.89	-78.49
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)O2)[N-]1	REAL300019711621	1	40	-2.0	-80.45	365.63	2.70	-77.75
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)O2)[N-]1	REAL300019711621	1	40	-2.0	-80.44	365.69	2.72	-77.72
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1[O-]	REAL300019711654	0	34	-2.0	-103.16	308.53	3.94	-99.22
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(F)=C1[O-]	REAL300019711654	1	34	-2.0	-103.15	308.59	3.96	-99.19
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019711677	0	34	-2.0	-94.00	314.93	4.00	-90.00
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019711677	1	34	-2.0	-93.97	314.99	4.02	-89.95
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([O-])C=CC2=CC=CC=C21	REAL300019711722	1	40	-2.0	-98.73	353.15	4.46	-94.27
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([O-])C=CC2=CC=CC=C21	REAL300019711722	1	40	-2.0	-98.73	353.21	4.47	-94.26
CCOC(=O)C1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N[N-]1	REAL300019711778	0	39	-2.0	-81.73	355.36	2.22	-79.51
CCOC(=O)C1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N[N-]1	REAL300019711778	1	39	-2.0	-81.74	355.30	2.20	-79.54
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019711778	1	39	-2.0	-81.62	355.39	2.21	-79.41
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019711778	1	39	-2.0	-81.62	355.33	2.20	-79.42
COCC1=NC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300019711905	1	39	-2.0	-81.64	345.68	-0.41	-82.05
COCC1=NC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300019711905	1	39	-2.0	-81.66	345.74	-0.40	-82.06
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019712050	0	39	-2.0	-82.27	350.50	4.88	-77.39
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019712050	1	39	-2.0	-82.27	350.55	4.89	-77.38
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(F)C([O-])=C1F	REAL300019712053	0	34	-2.0	-98.85	314.77	2.50	-96.35
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(F)C([O-])=C1F	REAL300019712053	1	34	-2.0	-98.86	314.83	2.51	-96.35
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712067	0	37	-2.0	-82.16	336.47	3.62	-78.54
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712067	1	37	-2.0	-82.16	336.53	3.63	-78.53
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N[N-]1	REAL300019712098	0	45	-2.0	-82.89	388.10	3.34	-79.55
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N[N-]1	REAL300019712098	1	45	-2.0	-82.90	388.04	3.32	-79.58
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019712098	1	45	-2.0	-82.85	388.13	3.34	-79.51
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019712098	1	45	-2.0	-82.83	388.07	3.33	-79.50
CSC1=NC(C)=C(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)C(=O)[N-]1	REAL300019714749	1	46	-2.0	-105.21	392.92	2.28	-102.93
CSC1=NC(C)=C(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)C(=O)[N-]1	REAL300019714749	1	46	-2.0	-105.15	392.98	2.29	-102.86
C=CCN1C(=O)C2=CC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019714846	0	47	-2.0	-89.63	406.96	6.03	-83.60
C=CCN1C(=O)C2=CC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019714846	1	47	-2.0	-89.61	407.02	6.05	-83.56
CC(C)CC(NC(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019714847	0	43	-2.0	-89.64	372.35	4.52	-85.12
CC(C)CC(NC(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019714847	1	43	-2.0	-89.67	372.41	4.53	-85.14
CC(C)CC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300019714858	1	41	-2.0	-116.80	374.36	5.57	-111.23
CC(C)CC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300019714858	1	41	-2.0	-116.80	374.42	5.58	-111.22
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019714882	1	47	-2.0	-103.68	402.57	7.09	-96.59
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019714882	1	47	-2.0	-103.60	402.62	7.11	-96.49
CC(C)CC(NC(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL300019714883	0	43	-2.0	-104.19	376.30	4.97	-99.22
CC(C)CC(NC(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL300019714883	1	43	-2.0	-104.17	376.36	4.98	-99.19
CCN1C(=O)C2=CC=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019714906	0	46	-2.0	-90.11	393.69	5.46	-84.65
CCN1C(=O)C2=CC=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019714906	1	46	-2.0	-90.13	393.74	5.48	-84.65
CC(C)CC(NC(=O)CCN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL300019714919	0	46	-2.0	-96.38	396.87	5.42	-90.96
CC(C)CC(NC(=O)CCN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL300019714919	1	46	-2.0	-96.44	396.93	5.43	-91.01
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019714945	1	47	-2.0	-120.06	402.73	7.10	-112.96
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019714945	1	47	-2.0	-120.03	402.79	7.10	-112.93
CC(C)CC(NC(=O)C1=CC(Br)=CC=C1[O-])C1=N[N-]N=N1	REAL300019714979	1	35	-2.0	-108.31	318.06	4.33	-103.98
CC(C)CC(NC(=O)C1=CC(Br)=CC=C1[O-])C1=NN=N[N-]1	REAL300019714979	1	35	-2.0	-108.28	318.12	4.34	-103.94
CC(C)CC(NC(=O)C1=CC(Cl)=CC=C1[O-])C1=N[N-]N=N1	REAL300019714980	1	35	-2.0	-108.30	313.50	4.23	-104.07
CC(C)CC(NC(=O)C1=CC(Cl)=CC=C1[O-])C1=NN=N[N-]1	REAL300019714980	1	35	-2.0	-108.30	313.56	4.24	-104.06
CC(C)CC(NC(=O)C1=CC=C(Cl)C=C1[O-])C1=N[N-]N=N1	REAL300019714987	1	35	-2.0	-110.05	313.54	4.24	-105.81
CC(C)CC(NC(=O)C1=CC=C(Cl)C=C1[O-])C1=NN=N[N-]1	REAL300019714987	1	35	-2.0	-110.01	313.59	4.25	-105.76
CC(C)CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300019714988	0	35	-2.0	-89.48	314.91	2.68	-86.80
CC(C)CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300019714988	1	35	-2.0	-89.47	314.97	2.69	-86.78
CC(C)CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019714992	1	41	-2.0	-119.91	341.81	6.06	-113.85
CC(C)CC(NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=N[N-]N=N1	REAL300019714995	0	37	-2.0	-89.31	324.88	3.92	-85.39
CC(C)CC(NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=NN=N[N-]1	REAL300019714995	1	37	-2.0	-89.33	324.93	3.94	-85.39
CC(C)CC(NC(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=NN=N[N-]1	REAL300019715165	0	42	-2.0	-89.97	356.95	-0.52	-90.49
CC(C)CC(NC(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=N[N-]N=N1	REAL300019715165	1	42	-2.0	-89.96	356.89	-0.55	-90.51
CC(C)CC(NC(=O)CC1=C([O-])N=C(N)S1)C1=N[N-]N=N1	REAL300019715607	0	36	-2.0	-108.77	323.33	-2.38	-111.15
CC(C)CC(NC(=O)CC1=C([O-])N=C(N)S1)C1=NN=N[N-]1	REAL300019715607	1	36	-2.0	-108.74	323.39	-2.36	-111.10
CC(C)CC(NC(=O)C(C)N1C(=S)[N-]N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300019715741	1	44	-2.0	-108.35	385.57	5.58	-102.77
CC(C)CC(NC(=O)C(C)N1C(=S)[N-]N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300019715741	1	44	-2.0	-108.34	385.63	5.59	-102.75
CC(C)CC(NC(=O)CCN1C=C[N-]C(=O)C1=O)C1=N[N-]N=N1	REAL300019715765	1	40	-2.0	-102.27	343.59	0.76	-101.51
CC(C)CC(NC(=O)CCN1C=C[N-]C(=O)C1=O)C1=NN=N[N-]1	REAL300019715765	1	40	-2.0	-102.29	343.64	0.77	-101.52
CC1=C(CC(=O)NC(CC(C)C)C2=N[N-]N=N2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019715787	0	47	-2.0	-128.37	400.13	1.44	-126.93
CC1=C(CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019715787	1	47	-2.0	-128.36	400.19	1.45	-126.91
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019715908	0	46	-2.0	-107.50	379.51	2.04	-105.46
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019715908	1	46	-2.0	-107.51	379.56	2.04	-105.47
CC(C)CC(NC(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300019715920	0	46	-2.0	-99.72	393.10	-2.20	-101.92
CC(C)CC(NC(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300019715920	1	46	-2.0	-99.72	393.16	-2.19	-101.91
CC(C)CC(NC(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=N[N-]N=N1	REAL300019716186	1	44	-2.0	-110.41	375.06	1.18	-109.23
CC(C)CC(NC(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=NN=N[N-]1	REAL300019716186	1	44	-2.0	-110.41	375.11	1.19	-109.22
CC(C)CC(NC(=O)C1=CC=C(S(=O)(=O)[N-]CC(N)=O)O1)C1=N[N-]N=N1	REAL300019716313	1	43	-2.0	-96.29	390.21	-4.98	-101.27
CC1=CC=C(N2[N-]C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)=CC2=O)C=C1	REAL300019716321	0	45	-2.0	-100.68	379.73	4.50	-96.18
CC1=CC=C(N2[N-]C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=CC2=O)C=C1	REAL300019716321	1	45	-2.0	-100.64	379.79	4.51	-96.13
CC(C)CC(NC(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=N[N-]N=N1	REAL300019716343	0	37	-2.0	-90.70	331.89	1.53	-89.17
CC(C)CC(NC(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=NN=N[N-]1	REAL300019716343	1	37	-2.0	-90.70	331.95	1.55	-89.15
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019716423	0	43	-2.0	-103.17	363.76	1.81	-101.36
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019716423	1	43	-2.0	-103.23	363.71	1.79	-101.44
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)=N2)C=C1	REAL300019716425	0	46	-2.0	-120.22	389.13	2.72	-117.50
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=N2)C=C1	REAL300019716425	1	46	-2.0	-120.22	389.18	2.73	-117.49
CC(C)CC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019716426	0	42	-2.0	-115.92	366.06	3.49	-112.43
CC(C)CC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019716426	1	42	-2.0	-115.91	366.11	3.50	-112.41
CC1=CC(C)=NC(N2[N-]C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)=CC2=O)=N1	REAL300019716427	0	46	-2.0	-108.98	395.24	4.91	-104.07
CC1=CC(C)=NC(N2[N-]C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=CC2=O)=N1	REAL300019716427	1	46	-2.0	-109.00	395.30	4.92	-104.08
CC(C)CC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300019716428	0	42	-2.0	-125.57	364.20	3.55	-122.02
CC(C)CC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300019716428	1	42	-2.0	-125.55	364.25	3.56	-121.99
CC(C)CC(NC(=O)CSC1=N[N-]C(=S)S1)C1=N[N-]N=N1	REAL300019716504	0	34	-2.0	-84.22	337.48	2.04	-82.18
CC(C)CC(NC(=O)CSC1=N[N-]C(=S)S1)C1=NN=N[N-]1	REAL300019716504	1	34	-2.0	-84.21	337.53	2.05	-82.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL300019716529	0	45	-2.0	-116.97	386.83	4.46	-112.51
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL300019716529	1	45	-2.0	-117.00	386.89	4.48	-112.52
CC(C)CC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019716628	0	51	-2.0	-120.50	419.88	5.31	-115.19
CC(C)CC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019716628	1	51	-2.0	-120.51	419.94	5.32	-115.19
CC(C)CC(NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019716685	0	37	-2.0	-85.72	327.19	2.75	-82.97
CC(C)CC(NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019716685	1	37	-2.0	-85.73	327.24	2.76	-82.97
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)S1	REAL300019716688	0	51	-2.0	-97.84	431.13	2.90	-94.94
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)S1	REAL300019716688	1	51	-2.0	-97.84	431.18	2.91	-94.93
CC(C)CC(NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=N[N-]N=N1	REAL300019716717	0	48	-2.0	-97.56	413.56	2.28	-95.28
CC(C)CC(NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=NN=N[N-]1	REAL300019716717	1	48	-2.0	-97.57	413.62	2.29	-95.28
CC(C)CC(NC(=O)C1=CC=CC(Br)=C1[O-])C1=N[N-]N=N1	REAL300019716765	0	35	-2.0	-110.40	317.24	4.35	-106.05
CC(C)CC(NC(=O)C1=CC=CC(Br)=C1[O-])C1=NN=N[N-]1	REAL300019716765	1	35	-2.0	-110.44	317.30	4.37	-106.07
CC(C)CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300019716779	0	37	-2.0	-115.90	322.83	4.97	-110.93
CC(C)CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300019716779	1	37	-2.0	-115.94	322.89	4.98	-110.96
CC(C)CC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=N[N-]N=N1	REAL300019716840	0	37	-2.0	-98.97	324.99	4.38	-94.59
CC(C)CC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=NN=N[N-]1	REAL300019716840	1	37	-2.0	-98.95	325.05	4.40	-94.55
CC(C)CC(NC(=O)C1=CC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300019716841	1	35	-2.0	-110.11	318.10	4.34	-105.77
CC(C)CC(NC(=O)C1=CC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300019716841	1	35	-2.0	-110.07	318.16	4.35	-105.72
CC(C)CC(NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300019716844	0	41	-2.0	-112.64	355.97	6.44	-106.20
CC(C)CC(NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300019716844	1	41	-2.0	-112.60	356.02	6.46	-106.14
CC(C)CC(NC(=O)C1=C([O-])C=CC=C1Cl)C1=N[N-]N=N1	REAL300019716855	1	35	-2.0	-102.10	318.21	2.43	-99.67
CC(C)CC(NC(=O)C1=C([O-])C=CC=C1Cl)C1=NN=N[N-]1	REAL300019716855	1	35	-2.0	-102.13	318.27	2.45	-99.68
CC(C)CC(NC(=O)C1=CC=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL300019717048	0	35	-2.0	-111.46	312.85	4.24	-107.22
CC(C)CC(NC(=O)C1=CC=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL300019717048	1	35	-2.0	-111.48	312.91	4.26	-107.22
CC(C)CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019717083	1	38	-2.0	-108.13	335.46	4.71	-103.42
CC(C)CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019717083	1	38	-2.0	-108.07	335.52	4.72	-103.35
CC(C)CC([N-]C(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019717128	1	37	-2.0	-122.16	330.82	2.99	-119.17
CC(C)CC(NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=N[N-]N=N1	REAL300019717254	0	40	-2.0	-85.86	361.43	0.38	-85.48
CC(C)CC(NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=NN=N[N-]1	REAL300019717254	1	40	-2.0	-85.89	361.49	0.41	-85.48
CC(C)CC(NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=N[N-]N=N1	REAL300019717255	0	39	-2.0	-89.61	334.57	2.19	-87.42
CC(C)CC(NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=NN=N[N-]1	REAL300019717255	1	39	-2.0	-89.58	334.63	2.21	-87.37
CC(C)CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300019717256	0	35	-2.0	-88.83	321.17	2.74	-86.09
CC(C)CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300019717256	1	35	-2.0	-88.87	321.23	2.76	-86.11
CC(C)CC(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=N[N-]N=N1	REAL300019717273	0	43	-2.0	-90.36	361.20	1.18	-89.18
CC(C)CC(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=NN=N[N-]1	REAL300019717273	1	43	-2.0	-90.37	361.26	1.19	-89.18
CC(C)CC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=N[N-]N=N1	REAL300019717292	0	46	-2.0	-115.21	392.36	1.71	-113.50
CC(C)CC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=NN=N[N-]1	REAL300019717292	1	46	-2.0	-115.24	392.42	1.73	-113.51
CC(C)CC(NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019717313	0	37	-2.0	-92.29	324.89	3.92	-88.37
CC(C)CC(NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019717313	1	37	-2.0	-92.30	324.95	3.93	-88.37
CC(C)CC(NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL300019717315	0	35	-2.0	-96.85	315.83	2.30	-94.55
CC(C)CC(NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL300019717315	1	35	-2.0	-96.84	315.89	2.31	-94.53
CC(C)CC(NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1=N[N-]N=N1	REAL300019717322	0	35	-2.0	-91.37	311.38	2.27	-89.10
CC(C)CC(NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1=NN=N[N-]1	REAL300019717322	1	35	-2.0	-91.41	311.43	2.28	-89.13
CC(C)CC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=N[N-]N=N1	REAL300019717349	0	37	-2.0	-104.41	324.92	4.37	-100.04
CC(C)CC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=NN=N[N-]1	REAL300019717349	1	37	-2.0	-104.45	324.98	4.39	-100.06
CC(C)CC(NC(=O)C1=CC=C(C#N)C([O-])=C1)C1=N[N-]N=N1	REAL300019717425	1	36	-2.0	-89.37	319.09	2.52	-86.85
CC(C)CC(NC(=O)C1=CC=C(C#N)C([O-])=C1)C1=NN=N[N-]1	REAL300019717425	1	36	-2.0	-89.39	319.14	2.54	-86.85
COC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)NC(=O)[N-]C1=O	REAL300019717439	1	38	-2.0	-89.91	327.30	-2.20	-92.11
CC(C)CC(NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019717473	1	36	-2.0	-86.11	319.14	1.59	-84.52
CC(C)CC(NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019717473	1	36	-2.0	-86.11	319.19	1.60	-84.51
CC(C)CC(NC(=O)C1=CC([O-])=CC(C#N)=C1)C1=N[N-]N=N1	REAL300019717499	1	36	-2.0	-87.28	319.79	2.46	-84.82
CC(C)CC(NC(=O)C1=CC([O-])=CC(C#N)=C1)C1=NN=N[N-]1	REAL300019717499	1	36	-2.0	-87.27	319.85	2.47	-84.80
CC(C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=N[N-]N=N1	REAL300019717519	0	35	-2.0	-91.04	318.88	-1.57	-92.61
CC(C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=NN=N[N-]1	REAL300019717519	1	35	-2.0	-91.07	318.94	-1.56	-92.63
CC(C)CC(NC(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=N[N-]N=N1	REAL300019717550	1	37	-2.0	-98.92	331.95	4.98	-93.94
CC(C)CC(NC(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=NN=N[N-]1	REAL300019717550	1	37	-2.0	-98.95	332.01	4.99	-93.96
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)=N2)=C1	REAL300019717666	0	45	-2.0	-125.25	384.44	4.04	-121.21
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=N2)=C1	REAL300019717666	1	45	-2.0	-125.26	384.50	4.06	-121.20
CC(C)CC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019717677	0	51	-2.0	-121.96	419.96	5.31	-116.65
CC(C)CC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019717677	1	51	-2.0	-121.97	420.01	5.33	-116.64
CC(C)CC(NC(=O)C(=O)C1=CC=C([O-])C=C1)C1=N[N-]N=N1	REAL300019717708	1	37	-2.0	-89.37	319.16	2.00	-87.37
CC(C)CC(NC(=O)C(=O)C1=CC=C([O-])C=C1)C1=NN=N[N-]1	REAL300019717708	1	37	-2.0	-89.36	319.22	2.01	-87.35
CC(C)CC(NC(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019717898	0	37	-2.0	-93.41	331.95	1.53	-91.88
CC(C)CC(NC(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019717898	1	37	-2.0	-93.44	332.01	1.53	-91.91
CC(C)CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019717938	0	42	-2.0	-118.26	366.10	3.46	-114.80
CC(C)CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019717938	1	42	-2.0	-118.27	366.16	3.47	-114.80
CC(C)CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL300019717970	1	40	-2.0	-121.65	339.26	4.32	-117.33
CC(C)CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL300019717970	1	40	-2.0	-121.62	339.32	4.34	-117.28
CC(C)CC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019718099	0	42	-2.0	-118.20	376.47	3.92	-114.28
CC(C)CC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019718099	1	42	-2.0	-118.20	376.53	3.94	-114.26
CC(C)CC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300019718100	0	42	-2.0	-118.40	369.45	3.43	-114.97
CC(C)CC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300019718100	1	42	-2.0	-118.37	369.50	3.45	-114.92
CC(C)CC(NC(=O)C1=CC(=O)N=C(C2CC2)[N-]1)C1=N[N-]N=N1	REAL300019718188	0	40	-2.0	-96.75	341.71	1.65	-95.10
CC(C)CC(NC(=O)C1=CC(=O)N=C(C2CC2)[N-]1)C1=NN=N[N-]1	REAL300019718188	1	40	-2.0	-96.72	341.77	1.66	-95.06
CC(C)CC(NC(=O)C1=CC(Br)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL300019719280	0	35	-2.0	-107.94	324.28	4.39	-103.55
CC(C)CC(NC(=O)C1=CC(Br)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL300019719280	1	35	-2.0	-107.87	324.34	4.41	-103.46
CC(C)CC(NC(=O)C1=CC=C([O-])C(F)=C1F)C1=N[N-]N=N1	REAL300019719288	0	35	-2.0	-94.74	309.59	2.27	-92.47
CC(C)CC(NC(=O)C1=CC=C([O-])C(F)=C1F)C1=NN=N[N-]1	REAL300019719288	1	35	-2.0	-94.77	309.65	2.28	-92.49
CSC1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(=O)[N-]1	REAL300019719289	1	37	-2.0	-97.77	328.19	0.65	-97.12
CSC1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(=O)[N-]1	REAL300019719289	1	37	-2.0	-97.72	328.25	0.67	-97.05
CC1=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL300019719294	0	38	-2.0	-88.64	331.73	1.25	-87.39
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL300019719294	1	38	-2.0	-88.63	331.79	1.27	-87.36
CC(C)CC(NC(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=N[N-]N=N1	REAL300019719308	0	44	-2.0	-132.64	380.33	5.84	-126.80
CC(C)CC(NC(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=NN=N[N-]1	REAL300019719308	1	44	-2.0	-132.62	380.39	5.86	-126.76
CC(C)CC(NC(=O)C1=C(Br)C(=O)[N-]C=N1)C1=N[N-]N=N1	REAL300019719392	0	33	-2.0	-90.87	305.97	0.52	-90.35
CC(C)CC(NC(=O)C1=C(Br)C(=O)[N-]C=N1)C1=NN=N[N-]1	REAL300019719392	1	33	-2.0	-90.89	306.02	0.53	-90.36
CC(C)CC(NC(=O)C1=NC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300019719507	0	34	-2.0	-106.13	315.32	2.57	-103.56
CC(C)CC(NC(=O)C1=NC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300019719507	1	34	-2.0	-106.13	315.38	2.59	-103.54
CC(C)CC(NC(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=N[N-]N=N1	REAL300019719643	1	44	-2.0	-122.79	380.44	5.86	-116.93
CC(C)CC(NC(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=NN=N[N-]1	REAL300019719643	1	44	-2.0	-122.75	380.49	5.88	-116.87
CC(C)CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL300019719688	0	35	-2.0	-104.04	329.57	4.75	-99.29
CC(C)CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL300019719688	1	35	-2.0	-104.04	329.62	4.77	-99.27
CC1=CC(C=O)=C([O-])C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=C1	REAL300019719692	1	40	-2.0	-125.31	339.23	5.23	-120.08
CC1=CC(C=O)=C([O-])C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=C1	REAL300019719692	1	40	-2.0	-125.33	339.29	5.24	-120.09
CC(C)CC(NC(=O)CC1=CC(=O)N(CC(C)C)[N-]1)C1=N[N-]N=N1	REAL300019719783	0	47	-2.0	-105.09	387.09	3.45	-101.64
CC(C)CC(NC(=O)CC1=CC(=O)N(CC(C)C)[N-]1)C1=NN=N[N-]1	REAL300019719783	1	47	-2.0	-105.06	387.15	3.47	-101.59
COC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019719839	0	41	-2.0	-91.46	354.08	3.73	-87.73
COC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019719839	1	41	-2.0	-91.42	354.14	3.75	-87.67
CC(C)CC(NC(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=N[N-]N=N1	REAL300019719840	0	35	-2.0	-110.92	319.18	4.28	-106.64
CC(C)CC(NC(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=NN=N[N-]1	REAL300019719840	1	35	-2.0	-110.92	319.24	4.30	-106.62
CC(C)CC(NC(=O)C1=CC=C(Cl)C([O-])=C1)C1=N[N-]N=N1	REAL300019719877	0	35	-2.0	-91.01	315.01	2.65	-88.36
CC(C)CC(NC(=O)C1=CC=C(Cl)C([O-])=C1)C1=NN=N[N-]1	REAL300019719877	1	35	-2.0	-91.02	315.06	2.66	-88.36
COC(=O)C1=CC2=C(C=C(C(=O)NC(CC(C)C)C3=N[N-]N=N3)O2)[N-]1	REAL300019719961	1	41	-2.0	-89.43	360.35	2.45	-86.98
COC(=O)C1=CC2=C(C=C(C(=O)NC(CC(C)C)C3=NN=N[N-]3)O2)[N-]1	REAL300019719961	1	41	-2.0	-89.45	360.41	2.47	-86.98
CC(C)CC(NC(=O)C1=CC(F)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL300019720005	0	35	-2.0	-106.52	309.44	3.84	-102.68
CC(C)CC(NC(=O)C1=CC(F)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL300019720005	1	35	-2.0	-106.50	309.50	3.85	-102.65
COCC1=NC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C(=O)[N-]1	REAL300019720215	1	40	-2.0	-98.13	339.94	-0.68	-98.81
COCC1=NC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C(=O)[N-]1	REAL300019720215	1	40	-2.0	-98.12	340.00	-0.66	-98.78
CC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019720326	0	40	-2.0	-88.72	344.99	4.64	-84.08
CC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019720326	1	40	-2.0	-88.70	345.05	4.65	-84.05
CC(C)CC([N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F)C1=N[N-]N=N1	REAL300019720328	0	34	-2.0	-101.28	323.15	-0.08	-101.36
CC(C)CC([N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F)C1=NN=N[N-]1	REAL300019720328	1	34	-2.0	-101.29	323.20	-0.05	-101.34
CC(C)CC(NC(=O)C1=CC=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL300019720329	0	35	-2.0	-105.58	309.50	2.23	-103.35
CC(C)CC(NC(=O)C1=CC=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL300019720329	1	35	-2.0	-105.55	309.56	2.24	-103.31
CC1=CC([O-])=C(Cl)C=C1C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019720340	0	38	-2.0	-89.28	330.62	3.42	-85.86
CC1=CC([O-])=C(Cl)C=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019720340	1	38	-2.0	-89.28	330.67	3.44	-85.84
CC(C)CC([N-]C(=O)C(F)(F)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019720432	1	37	-2.0	-114.21	332.97	3.06	-111.15
CC(C)CC(NC(=O)C1=CC=C(C#N)[N-]C1=O)C1=N[N-]N=N1	REAL300019720465	0	35	-2.0	-90.60	311.87	0.60	-90.00
CC(C)CC(NC(=O)C1=CC=C(C#N)[N-]C1=O)C1=NN=N[N-]1	REAL300019720465	1	35	-2.0	-90.62	311.93	0.61	-90.01
CC(C)CC(NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019721070	0	40	-2.0	-88.56	355.57	2.82	-85.74
CC(C)CC(NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019721070	1	40	-2.0	-88.54	355.63	2.84	-85.70
CC(C)CC(NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=N[N-]N=N1	REAL300019721127	0	35	-2.0	-102.68	319.37	4.29	-98.39
CC(C)CC(NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=NN=N[N-]1	REAL300019721127	1	35	-2.0	-102.66	319.43	4.30	-98.36
COC(=O)CCCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019722377	0	38	-2.0	-105.32	351.61	2.69	-102.63
COC(=O)CCCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019722377	1	38	-2.0	-105.32	351.67	2.71	-102.61
COC(=O)CCCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019722379	0	38	-2.0	-95.36	363.56	2.53	-92.83
COC(=O)CCCC1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300019722379	1	38	-2.0	-95.35	363.62	2.54	-92.81
O=C(NC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300019722428	1	34	-2.0	-89.85	322.16	3.83	-86.02
O=C(NC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300019722428	1	34	-2.0	-89.72	322.26	3.83	-85.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=C1C	REAL300019722476	1	40	-2.0	-94.71	354.28	4.97	-89.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=C1C	REAL300019722476	1	40	-2.0	-94.74	354.18	4.97	-89.77
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=C1	REAL300019722478	1	41	-2.0	-87.25	367.41	3.95	-83.30
CCOC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=C1	REAL300019722478	1	41	-2.0	-87.26	367.31	3.97	-83.29
O=C(NC1=NN=N[N-]1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300019722485	1	34	-2.0	-95.17	322.38	3.82	-91.35
O=C(NC1=N[N-]N=N1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300019722485	1	34	-2.0	-95.10	322.48	3.80	-91.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=C1C	REAL300019722491	1	40	-2.0	-89.35	352.95	5.05	-84.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=C1C	REAL300019722491	1	40	-2.0	-89.37	352.85	5.06	-84.31
O=C(NC1=NN=N[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300019722507	1	34	-2.0	-89.25	328.66	3.89	-85.36
O=C(NC1=N[N-]N=N1)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1	REAL300019722507	1	34	-2.0	-89.22	328.76	3.87	-85.35
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019722508	0	38	-2.0	-99.54	350.96	3.12	-96.42
COC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019722508	1	38	-2.0	-99.48	351.05	3.09	-96.39
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=C1C	REAL300019722540	1	40	-2.0	-90.40	354.42	4.96	-85.44
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=C1C	REAL300019722540	1	40	-2.0	-90.47	354.33	4.98	-85.49
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=C1	REAL300019722569	1	40	-2.0	-96.79	352.66	5.21	-91.58
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=C1	REAL300019722569	1	40	-2.0	-96.73	352.76	5.22	-91.51
O=C(NC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300019722571	1	34	-2.0	-85.18	328.46	3.89	-81.29
O=C(NC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300019722571	1	34	-2.0	-85.15	328.56	3.89	-81.26
O=C(NC1=NN=N[N-]1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300019722573	1	34	-2.0	-96.55	332.69	4.25	-92.30
O=C(NC1=N[N-]N=N1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300019722573	1	34	-2.0	-96.49	332.79	4.24	-92.25
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL300019722574	0	38	-2.0	-105.13	345.19	3.09	-102.04
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL300019722574	1	38	-2.0	-105.07	345.29	3.07	-102.00
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=C1	REAL300019722628	1	39	-2.0	-95.26	357.00	4.18	-91.08
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=C1	REAL300019722628	1	39	-2.0	-95.25	357.10	4.18	-91.07
O=C(NC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300019722656	1	34	-2.0	-93.60	315.77	3.77	-89.83
O=C(NC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300019722656	1	34	-2.0	-93.56	315.87	3.77	-89.79
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1=N[N-]N=N1	REAL300019722663	0	27	-2.0	-107.43	273.55	0.07	-107.36
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1=NN=N[N-]1	REAL300019722663	1	27	-2.0	-107.47	273.46	0.08	-107.39
O=C(NC1=NN=N[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300019722664	1	34	-2.0	-98.04	315.95	3.77	-94.27
O=C(NC1=N[N-]N=N1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300019722664	1	34	-2.0	-98.00	316.04	3.75	-94.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)C=C1F	REAL300019722810	1	37	-2.0	-95.38	342.68	4.47	-90.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)C=C1F	REAL300019722810	1	37	-2.0	-95.33	342.78	4.44	-90.89
O=C(NC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)C=C1	REAL300019722811	1	34	-2.0	-83.04	332.67	4.28	-78.76
O=C(NC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)C=C1	REAL300019722811	1	34	-2.0	-83.05	332.77	4.26	-78.79
O=C(NC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1	REAL300019722824	1	34	-2.0	-85.24	338.35	4.34	-80.90
O=C(NC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C=C1	REAL300019722824	1	34	-2.0	-85.21	338.45	4.33	-80.88
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NC2=N[N-]N=N2)=C1	REAL300019722866	0	41	-2.0	-97.75	361.35	3.76	-93.99
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)NC2=NN=N[N-]2)=C1	REAL300019722866	1	41	-2.0	-97.72	361.25	3.75	-93.97
O=C(NC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1	REAL300019722867	0	31	-2.0	-89.45	324.85	3.39	-86.06
O=C(NC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1	REAL300019722867	1	31	-2.0	-89.48	324.74	3.39	-86.09
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019722868	1	37	-2.0	-87.69	342.59	4.47	-83.22
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=CC=C1F	REAL300019722868	1	37	-2.0	-87.75	342.48	4.48	-83.27
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL300019722877	0	38	-2.0	-91.96	345.17	3.10	-88.86
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL300019722877	1	38	-2.0	-91.88	345.27	3.08	-88.80
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=C1	REAL300019722878	1	38	-2.0	-87.10	345.58	3.04	-84.06
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=C1	REAL300019722878	1	38	-2.0	-87.17	345.48	3.06	-84.11
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL300019722884	1	37	-2.0	-102.44	337.37	4.41	-98.03
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL300019722884	1	37	-2.0	-102.39	337.47	4.40	-97.99
CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1	REAL300019722886	1	37	-2.0	-96.49	348.12	5.05	-91.44
CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1S(=O)(=O)[N-]C1=CC=CC(Cl)=C1	REAL300019722886	1	37	-2.0	-96.42	348.22	5.02	-91.40
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300019722888	0	34	-2.0	-92.64	335.55	4.37	-88.27
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300019722888	1	34	-2.0	-92.69	335.45	4.38	-88.31
O=C(NC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300019722893	0	36	-2.0	-93.81	343.98	4.44	-89.37
O=C(NC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300019722893	1	36	-2.0	-93.75	344.08	4.44	-89.31
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL300019722928	1	37	-2.0	-91.35	349.88	4.96	-86.39
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL300019722928	1	37	-2.0	-91.25	349.98	4.94	-86.31
O=C(NC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300019722943	0	31	-2.0	-94.62	307.69	2.77	-91.85
O=C(NC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300019722943	1	31	-2.0	-94.56	307.79	2.77	-91.79
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=C1	REAL300019722953	1	37	-2.0	-88.76	337.43	4.42	-84.34
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=C1	REAL300019722953	1	37	-2.0	-88.82	337.33	4.43	-84.39
O=C(NC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300019722954	1	34	-2.0	-88.10	315.93	3.75	-84.35
O=C(NC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300019722954	1	34	-2.0	-88.06	316.03	3.74	-84.32
COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1	REAL300019722986	0	41	-2.0	-107.67	365.50	4.23	-103.44
COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1S(=O)(=O)[N-]C1=CC=C(C)C=C1	REAL300019722986	1	41	-2.0	-107.61	365.60	4.22	-103.39
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=N[N-]N=N1	REAL300019723003	0	27	-2.0	-93.38	261.73	0.92	-92.46
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=NN=N[N-]1	REAL300019723003	1	27	-2.0	-93.38	261.63	0.93	-92.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=C1	REAL300019723101	0	38	-2.0	-107.49	342.95	3.33	-104.16
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=C1	REAL300019723101	1	38	-2.0	-107.49	343.05	3.32	-104.17
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300019723102	0	34	-2.0	-107.78	325.47	4.16	-103.62
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300019723102	1	34	-2.0	-107.86	325.37	4.17	-103.69
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300019723136	0	36	-2.0	-105.95	341.79	4.70	-101.25
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300019723136	1	36	-2.0	-105.97	341.69	4.71	-101.26
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300019723137	0	34	-2.0	-102.84	330.29	4.54	-98.30
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300019723137	1	34	-2.0	-102.86	330.19	4.56	-98.30
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300019723143	0	34	-2.0	-102.17	319.87	4.10	-98.07
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300019723143	1	34	-2.0	-102.11	319.97	4.09	-98.02
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)=C1	REAL300019723144	0	40	-2.0	-109.14	350.46	5.46	-103.68
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)=C1	REAL300019723144	1	40	-2.0	-109.18	350.36	5.47	-103.71
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL300019723146	0	37	-2.0	-101.15	335.35	4.87	-96.28
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL300019723146	1	37	-2.0	-101.07	335.46	4.86	-96.21
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300019723147	0	34	-2.0	-99.65	326.16	4.16	-95.49
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300019723147	1	34	-2.0	-99.60	326.27	4.15	-95.45
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)=CC=C1F	REAL300019723149	0	37	-2.0	-103.22	340.18	4.73	-98.49
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)=CC=C1F	REAL300019723149	1	37	-2.0	-103.12	340.28	4.72	-98.40
COCCCN1C(=O)C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019723151	0	38	-2.0	-86.76	344.81	4.88	-81.88
COCCCN1C(=O)C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019723151	1	38	-2.0	-86.87	344.72	4.89	-81.98
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL300019723343	1	37	-2.0	-89.76	337.74	4.61	-85.15
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL300019723343	1	37	-2.0	-89.77	337.64	4.61	-85.16
O=C(NC1=NN=N[N-]1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OCOC3=C2)=C1	REAL300019723350	1	37	-2.0	-98.00	342.05	2.40	-95.60
O=C(NC1=N[N-]N=N1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C3OCOC3=C2)=C1	REAL300019723350	1	37	-2.0	-97.93	342.15	2.38	-95.55
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2C)=C1	REAL300019723442	1	40	-2.0	-102.58	352.80	5.21	-97.37
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2C)=C1	REAL300019723442	1	40	-2.0	-102.45	352.89	5.18	-97.27
O=C(NC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1	REAL300019723444	1	34	-2.0	-82.70	322.46	3.81	-78.89
O=C(NC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1	REAL300019723444	1	34	-2.0	-82.78	322.36	3.83	-78.95
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL300019723445	1	37	-2.0	-88.04	335.97	4.51	-83.53
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL300019723445	1	37	-2.0	-88.16	335.86	4.53	-83.63
C=CCN1C(=O)C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019723568	0	32	-2.0	-84.46	302.82	5.65	-78.81
C=CCN1C(=O)C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019723568	1	32	-2.0	-84.35	302.91	5.64	-78.71
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=O)N(CCC3=CC=CC=C3)C(=S)[N-]C2=C1	REAL300019723570	0	41	-2.0	-87.03	371.04	8.84	-78.19
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=O)N(CCC3=CC=CC=C3)C(=S)[N-]C2=C1	REAL300019723570	1	41	-2.0	-87.10	370.95	8.85	-78.25
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=S)[N-]C2=C1	REAL300019723571	0	35	-2.0	-86.83	327.14	6.07	-80.76
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=S)[N-]C2=C1	REAL300019723571	1	35	-2.0	-86.93	327.05	6.08	-80.85
CN1C(=O)C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019723573	0	28	-2.0	-84.38	268.26	4.15	-80.23
CN1C(=O)C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019723573	1	28	-2.0	-84.36	268.36	4.14	-80.22
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=N[N-]N=N1	REAL300019723588	1	26	-2.0	-103.00	270.33	5.18	-97.82
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=NN=N[N-]1	REAL300019723588	1	26	-2.0	-103.11	270.24	5.19	-97.92
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=N[N-]N=N1	REAL300019723619	0	33	-2.0	-105.27	301.20	3.12	-102.15
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NC1=NN=N[N-]1	REAL300019723619	1	33	-2.0	-105.34	301.10	3.14	-102.20
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NC1=N[N-]N=N1	REAL300019723631	1	29	-2.0	-101.29	294.45	6.53	-94.76
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NC1=NN=N[N-]1	REAL300019723631	1	29	-2.0	-101.33	294.36	6.54	-94.79
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=N[N-]N=N2)C=C1	REAL300019723632	1	32	-2.0	-106.01	299.13	6.68	-99.33
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=NN=N[N-]2)C=C1	REAL300019723632	1	32	-2.0	-106.05	299.04	6.69	-99.36
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NC2=N[N-]N=N2)C=C1	REAL300019723633	1	36	-2.0	-90.87	327.05	5.88	-84.99
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NC2=NN=N[N-]2)C=C1	REAL300019723633	1	36	-2.0	-90.87	326.96	5.89	-84.98
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=N[N-]N=N1	REAL300019723634	0	28	-2.0	-101.82	272.32	4.61	-97.21
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=NN=N[N-]1	REAL300019723634	1	28	-2.0	-101.84	272.23	4.62	-97.22
O=C(CCCCCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=N[N-]N=N1	REAL300019723635	0	40	-2.0	-94.84	357.40	7.43	-87.41
O=C(CCCCCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=NN=N[N-]1	REAL300019723635	1	40	-2.0	-94.91	357.30	7.44	-87.47
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NC2=N[N-]N=N2)C=C1	REAL300019723658	1	35	-2.0	-92.44	318.79	7.22	-85.22
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NC2=NN=N[N-]2)C=C1	REAL300019723658	1	35	-2.0	-92.47	318.70	7.24	-85.23
CCN1C(=O)C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019723659	0	31	-2.0	-84.83	289.54	5.08	-79.75
CCN1C(=O)C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019723659	1	31	-2.0	-84.80	289.64	5.07	-79.73
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=N[N-]N=N1	REAL300019723674	0	31	-2.0	-93.35	292.90	5.05	-88.30
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=NN=N[N-]1	REAL300019723674	1	31	-2.0	-93.39	292.81	5.07	-88.32
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=N[N-]N=N2)C=C1	REAL300019723713	1	33	-2.0	-104.13	307.20	5.32	-98.81
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=NN=N[N-]2)C=C1	REAL300019723713	1	33	-2.0	-104.16	307.10	5.33	-98.83
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2=N[N-]N=N2)=C1	REAL300019723714	1	32	-2.0	-106.52	299.14	6.67	-99.85
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2=NN=N[N-]2)=C1	REAL300019723714	1	32	-2.0	-106.55	299.04	6.68	-99.87
O=C(NC1=N[N-]N=N1)C1=CC(S(=O)(=O)NCC2=CC=CC=C2)=CC=C1[O-]	REAL300019723755	0	38	-2.0	-108.32	350.28	3.30	-105.02
O=C(NC1=NN=N[N-]1)C1=CC(S(=O)(=O)NCC2=CC=CC=C2)=CC=C1[O-]	REAL300019723755	1	38	-2.0	-108.37	350.18	3.32	-105.05
O=C(NC1=N[N-]N=N1)C1=CC(S(=O)(=O)NC2=CC=CC=C2Cl)=CC=C1[O-]	REAL300019723757	0	35	-2.0	-108.10	336.67	3.74	-104.36
O=C(NC1=NN=N[N-]1)C1=CC(S(=O)(=O)NC2=CC=CC=C2Cl)=CC=C1[O-]	REAL300019723757	1	35	-2.0	-108.12	336.56	3.76	-104.36
COC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C(C(=O)NC3=N[N-]N=N3)=C2)C=C1	REAL300019723762	0	39	-2.0	-108.26	357.30	2.42	-105.84
COC1=CC=C(NS(=O)(=O)C2=CC=C([O-])C(C(=O)NC3=NN=N[N-]3)=C2)C=C1	REAL300019723762	1	39	-2.0	-108.26	357.20	2.44	-105.82
O=C(NC1=N[N-]N=N1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300019723763	0	35	-2.0	-108.58	315.18	2.39	-106.19
O=C(NC1=NN=N[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300019723763	1	35	-2.0	-108.62	315.09	2.42	-106.20
O=C(NC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1O	REAL300019723765	0	32	-2.0	-92.67	316.53	1.26	-91.41
O=C(NC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1O	REAL300019723765	1	32	-2.0	-92.71	316.43	1.26	-91.45
O=C(NC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1[O-]	REAL300019723765	1	31	-3.0	-205.35	312.98	2.28	-203.07
O=C(NC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1[O-]	REAL300019723765	1	31	-3.0	-205.38	312.88	2.28	-203.10
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CC(Br)=C1[O-]	REAL300019723766	0	20	-2.0	-97.85	234.48	4.53	-93.32
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CC(Br)=C1[O-]	REAL300019723766	1	20	-2.0	-97.92	234.38	4.56	-93.36
O=C(CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)NC1=N[N-]N=N1	REAL300019723846	0	34	-2.0	-104.89	332.65	3.43	-101.46
O=C(CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)NC1=NN=N[N-]1	REAL300019723846	1	34	-2.0	-104.89	332.56	3.45	-101.44
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)[N-]1	REAL300019723866	0	36	-2.0	-91.77	327.10	4.89	-86.88
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)[N-]1	REAL300019723866	1	36	-2.0	-91.67	327.20	4.89	-86.78
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL300019723871	1	33	-2.0	-84.30	301.26	0.12	-84.18
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL300019723871	1	33	-2.0	-84.29	301.37	0.10	-84.19
O=C(NC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300019723889	0	33	-2.0	-84.43	311.07	1.97	-82.46
O=C(NC1=NN=N[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300019724004	0	31	-2.0	-96.40	307.88	2.79	-93.61
O=C(NC1=N[N-]N=N1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300019724004	1	31	-2.0	-96.37	307.98	2.76	-93.61
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL300019724134	1	33	-2.0	-102.69	298.28	2.55	-100.14
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL300019724134	1	33	-2.0	-102.79	298.18	2.56	-100.23
CC(C(=O)NC1=N[N-]N=N1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019724322	1	29	-2.0	-109.14	281.60	5.20	-103.94
CC(C(=O)NC1=NN=N[N-]1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019724322	1	29	-2.0	-109.24	281.50	5.22	-104.02
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)NC3=N[N-]N=N3)SC=C2)C=N1	REAL300019724325	0	31	-2.0	-114.93	307.82	1.61	-113.32
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)NC3=NN=N[N-]3)SC=C2)C=N1	REAL300019724325	1	31	-2.0	-114.93	307.72	1.62	-113.31
CC1=C(CC(=O)NC2=N[N-]N=N2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019724372	0	32	-2.0	-116.49	296.16	1.07	-115.42
CC1=C(CC(=O)NC2=NN=N[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019724372	1	32	-2.0	-116.53	296.07	1.09	-115.44
CC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)NC3=NN=N[N-]3)SC=C2)C=C1	REAL300019724398	0	34	-2.0	-116.43	323.14	4.56	-111.87
CC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)NC3=N[N-]N=N3)SC=C2)C=C1	REAL300019724398	1	34	-2.0	-116.36	323.24	4.55	-111.81
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300019724422	0	34	-2.0	-105.19	330.17	4.56	-100.63
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300019724422	1	34	-2.0	-105.15	330.27	4.55	-100.60
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300019724441	0	34	-2.0	-101.98	330.18	4.55	-97.43
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300019724441	1	34	-2.0	-101.93	330.28	4.54	-97.39
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=N[N-]N=N2)=C1	REAL300019724463	0	34	-2.0	-106.70	311.39	-0.24	-106.94
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=NN=N[N-]2)=C1	REAL300019724463	1	34	-2.0	-106.78	311.29	-0.22	-107.00
O=C(NC1=NN=N[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019724481	0	27	-2.0	-94.93	275.00	1.46	-93.47
O=C(NC1=N[N-]N=N1)C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019724481	1	27	-2.0	-94.86	275.10	1.45	-93.41
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300019724521	0	28	-2.0	-90.08	273.38	3.41	-86.67
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300019724521	1	28	-2.0	-90.02	273.47	3.39	-86.63
O=C(NC1=NN=N[N-]1)C1=C(NC(=O)C2=CC=C(Cl)C=C2[O-])SC=C1	REAL300019724571	0	31	-2.0	-92.95	308.07	5.08	-87.87
O=C(NC1=N[N-]N=N1)C1=C(NC(=O)C2=CC=C(Cl)C=C2[O-])SC=C1	REAL300019724571	1	31	-2.0	-92.92	308.18	5.08	-87.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=C1	REAL300019724659	0	37	-2.0	-109.79	334.87	4.71	-105.08
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=C1	REAL300019724659	1	37	-2.0	-109.72	334.97	4.70	-105.02
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL300019724783	1	28	-2.0	-90.63	286.11	-5.35	-95.98
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL300019724783	1	28	-2.0	-90.54	286.22	-5.36	-95.90
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=NN=N[N-]3)=N2)C=C1	REAL300019724879	0	31	-2.0	-113.77	285.08	2.33	-111.44
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=N[N-]N=N3)=N2)C=C1	REAL300019724879	1	31	-2.0	-113.75	285.18	2.31	-111.44
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=N[N-]N=N3)=CC2=O)=N1	REAL300019724880	0	31	-2.0	-102.10	291.23	4.53	-97.57
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=NN=N[N-]3)=CC2=O)=N1	REAL300019724880	1	31	-2.0	-102.12	291.14	4.53	-97.59
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019724911	0	35	-2.0	-103.57	320.09	-0.04	-103.61
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019724911	1	35	-2.0	-103.64	319.99	-0.03	-103.67
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019724928	0	30	-2.0	-78.80	297.19	1.94	-76.86
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019724928	1	30	-2.0	-78.74	297.29	1.95	-76.79
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NC2=N[N-]N=N2)C=C1	REAL300019724930	1	39	-2.0	-90.63	348.91	6.80	-83.83
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NC2=NN=N[N-]2)C=C1	REAL300019724930	1	39	-2.0	-90.67	348.81	6.81	-83.86
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NC2=N[N-]N=N2)=C1	REAL300019724931	1	35	-2.0	-92.66	319.10	7.23	-85.43
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NC2=NN=N[N-]2)=C1	REAL300019724931	1	35	-2.0	-92.70	319.00	7.25	-85.45
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=NN=N[N-]2)=N1	REAL300019724946	0	30	-2.0	-109.97	277.92	4.02	-105.95
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=N[N-]N=N2)=N1	REAL300019724946	1	30	-2.0	-109.99	278.02	4.01	-105.98
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=N[N-]N=N3)=N2)C=C1	REAL300019725001	0	36	-2.0	-113.81	315.89	4.93	-108.88
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=NN=N[N-]3)=N2)C=C1	REAL300019725001	1	36	-2.0	-113.84	315.79	4.94	-108.90
O=C(NC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300019725018	0	30	-2.0	-87.49	304.48	1.95	-85.54
O=C(NC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300019725018	1	30	-2.0	-87.43	304.58	1.93	-85.50
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NC2=N[N-]N=N2)S1	REAL300019725043	0	36	-2.0	-92.98	327.23	2.54	-90.44
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NC2=NN=N[N-]2)S1	REAL300019725043	1	36	-2.0	-92.98	327.14	2.56	-90.42
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2=N[N-]N=N2)S1	REAL300019725064	0	33	-2.0	-92.72	309.53	1.89	-90.83
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2=NN=N[N-]2)S1	REAL300019725064	1	33	-2.0	-92.77	309.44	1.91	-90.86
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C([O-])=C1	REAL300019725091	1	38	-2.0	-125.54	319.19	2.88	-122.66
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C([O-])=C1	REAL300019725091	1	38	-2.0	-114.38	319.02	2.88	-111.50
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=N[N-]N=N2)C([O-])=C1	REAL300019725092	1	37	-2.0	-119.44	314.73	3.55	-115.89
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=NN=N[N-]2)C([O-])=C1	REAL300019725092	1	37	-2.0	-109.87	314.24	3.56	-106.31
O=C(NC1=CC=C([O-])C(C(=O)NC2=N[N-]N=N2)=C1)OCC(F)(F)F	REAL300019725093	1	31	-2.0	-110.78	301.45	2.89	-107.89
O=C(NC1=CC=C([O-])C(C(=O)NC2=NN=N[N-]2)=C1)OCC(F)(F)F	REAL300019725093	1	31	-2.0	-110.85	301.35	2.91	-107.94
O=C(NC1=N[N-]N=N1)C1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2)=CC=C1[O-]	REAL300019725118	0	35	-2.0	-106.76	344.50	3.65	-103.11
O=C(NC1=NN=N[N-]1)C1=CC(S(=O)(=O)NC2=CC=C(Cl)C=C2)=CC=C1[O-]	REAL300019725118	1	35	-2.0	-106.79	344.40	3.66	-103.13
O=C(NC1=N[N-]N=N1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1O	REAL300019725119	0	32	-2.0	-92.21	316.83	1.24	-90.97
O=C(NC1=NN=N[N-]1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1O	REAL300019725119	1	32	-2.0	-92.25	316.73	1.24	-91.01
O=C(NC1=N[N-]N=N1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1[O-]	REAL300019725119	1	31	-3.0	-187.93	313.26	2.24	-185.69
O=C(NC1=NN=N[N-]1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1[O-]	REAL300019725119	1	31	-3.0	-187.96	313.16	2.25	-185.71
O=C(NC1=N[N-]N=N1)C1=CC(I)=CC=C1[O-]	REAL300019725120	1	20	-2.0	-103.07	220.56	4.38	-98.69
O=C(NC1=NN=N[N-]1)C1=CC(I)=CC=C1[O-]	REAL300019725120	1	20	-2.0	-103.15	220.45	4.40	-98.75
COC1=CC(OC)=CC(C(=O)NC2=CC=C([O-])C(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL300019725121	1	42	-2.0	-115.81	363.77	3.89	-111.92
O=C(NC1=CC=C(C(=O)NC2=N[N-]N=N2)C([O-])=C1)C1=CC=C(Cl)C(Cl)=C1	REAL300019725122	1	34	-2.0	-119.90	336.30	6.30	-113.60
O=C(NC1=CC=C(C(=O)NC2=NN=N[N-]2)C([O-])=C1)C1=CC=C(Cl)C(Cl)=C1	REAL300019725122	1	34	-2.0	-110.35	336.09	6.31	-104.04
COC1=CC(OC)=CC(C(=O)NC2=CC=C(C(=O)NC3=N[N-]N=N3)C([O-])=C2)=C1	REAL300019725123	1	42	-2.0	-127.49	363.35	3.93	-123.56
COC1=CC(OC)=CC(C(=O)NC2=CC=C(C(=O)NC3=NN=N[N-]3)C([O-])=C2)=C1	REAL300019725123	1	42	-2.0	-115.93	363.15	3.93	-112.00
CC1=C(C(=O)NC2=CC=C([O-])C(C(=O)NC3=N[N-]N=N3)=C2)C=NO1	REAL300019725124	1	33	-2.0	-115.45	301.82	3.54	-111.91
O=C(NC1=N[N-]N=N1)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1[O-]	REAL300019725125	1	34	-2.0	-121.49	317.24	5.46	-116.03
O=C(NC1=NN=N[N-]1)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1[O-]	REAL300019725125	1	34	-2.0	-110.49	317.04	5.47	-105.02
O=C(NC1=N[N-]N=N1)C1=CC(Br)=C([O-])C(Br)=C1	REAL300019725133	0	20	-2.0	-81.19	235.70	3.08	-78.11
O=C(NC1=NN=N[N-]1)C1=CC(Br)=C([O-])C(Br)=C1	REAL300019725133	1	20	-2.0	-81.29	235.60	3.08	-78.21
O=C(NC1=N[N-]N=N1)C1=CC=C(I)C=C1[O-]	REAL300019726270	0	20	-2.0	-104.45	220.55	4.38	-100.07
O=C(NC1=NN=N[N-]1)C1=CC=C(I)C=C1[O-]	REAL300019726270	1	20	-2.0	-104.50	220.45	4.39	-100.11
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019726274	0	20	-2.0	-102.00	220.28	3.97	-98.03
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019726274	1	20	-2.0	-102.05	220.19	3.99	-98.06
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=N[N-]N=N1	REAL300019726480	0	24	-2.0	-86.49	262.37	2.00	-84.49
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=NN=N[N-]1	REAL300019726480	1	24	-2.0	-86.58	262.28	2.01	-84.57
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=CC=C1Cl	REAL300019726502	0	37	-2.0	-98.35	348.94	5.08	-93.27
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=CC=C1Cl	REAL300019726502	1	37	-2.0	-98.30	349.04	5.05	-93.25
O=C(NC1=NN=N[N-]1)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=CC=C1Cl	REAL300019726503	1	34	-2.0	-90.20	328.50	4.27	-85.93
O=C(NC1=N[N-]N=N1)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=CC=C1Cl	REAL300019726503	1	34	-2.0	-90.14	328.59	4.25	-85.89
O=C(NC1=N[N-]N=N1)C1=C(Br)[N-]N=C1Br	REAL300019726887	0	16	-2.0	-82.96	211.06	0.98	-81.98
O=C(NC1=NN=N[N-]1)C1=C(Br)[N-]N=C1Br	REAL300019726887	1	16	-2.0	-82.98	210.97	1.01	-81.97
O=C(NC1=NN=N[N-]1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300019727166	0	30	-2.0	-79.29	290.39	4.52	-74.77
O=C(NC1=N[N-]N=N1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300019727166	1	30	-2.0	-79.27	290.49	4.52	-74.75
O=C(NC1=N[N-]N=N1)C1=CC2=C([N-]1)SC(Br)=N2	REAL300019727167	0	19	-2.0	-86.67	225.71	1.04	-85.63
O=C(NC1=NN=N[N-]1)C1=CC2=C([N-]1)SC(Br)=N2	REAL300019727167	1	19	-2.0	-86.73	225.61	1.05	-85.68
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300019728449	0	35	-2.0	-102.86	321.23	1.85	-101.01
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300019728449	1	35	-2.0	-102.87	321.29	1.87	-101.00
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2O1	REAL300019728450	0	38	-2.0	-113.97	345.58	4.72	-109.25
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2O1	REAL300019728450	1	38	-2.0	-113.69	346.05	4.71	-108.98
O=C([N-]NC(=O)C1=CC2=CC=CC=C2O1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728451	0	35	-2.0	-95.95	332.20	1.59	-94.36
O=C([N-]NC(=O)C1=CC2=CC=CC=C2O1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728451	1	35	-2.0	-95.95	332.27	1.59	-94.36
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=CC(Cl)=C2)S1	REAL300019728616	0	36	-2.0	-99.78	351.29	4.63	-95.15
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=CC(Cl)=C2)S1	REAL300019728616	1	36	-2.0	-99.72	351.35	4.65	-95.07
O=C([N-]C1=NN=C(CC2=CC=CC(Cl)=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728617	0	36	-2.0	-89.17	363.24	4.47	-84.70
O=C([N-]NC(=O)C1=CC=CC(Br)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728699	0	32	-2.0	-93.13	322.28	1.75	-91.38
O=C([N-]NC(=O)C1=CC=CC(Br)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728699	1	32	-2.0	-93.13	322.34	1.76	-91.37
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300019728860	0	39	-2.0	-115.82	370.41	1.51	-114.31
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300019728860	1	39	-2.0	-115.83	370.36	1.49	-114.34
CC1=CC=C(C(=O)[N-]NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)O1	REAL300019728923	0	35	-2.0	-111.53	320.46	3.15	-108.38
CC1=CC=C(C(=O)[N-]NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)O1	REAL300019728923	1	35	-2.0	-111.35	320.56	3.17	-108.18
CC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300019728924	0	32	-2.0	-95.30	307.12	0.02	-95.28
CC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300019728924	1	32	-2.0	-95.29	307.19	0.03	-95.26
O=C(CC1=CC=NC=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019729203	0	34	-2.0	-91.99	320.47	0.10	-91.89
O=C(CC1=CC=NC=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019729203	1	34	-2.0	-91.97	320.54	0.10	-91.87
O=C([N-]NC(=O)C1=CC=C(Cl)C=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019729209	0	32	-2.0	-93.33	322.25	1.74	-91.59
O=C([N-]NC(=O)C1=CC=C(Cl)C=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019729209	1	32	-2.0	-93.33	322.32	1.74	-91.59
CCCC(NC(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019729674	0	39	-2.0	-113.34	360.32	-0.10	-113.44
CCCC(NC(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019729674	1	39	-2.0	-113.39	360.38	-0.08	-113.47
CCCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C1=N[N-]N=N1	REAL300019729736	1	39	-2.0	-93.27	348.76	3.16	-90.11
CCCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C1=NN=N[N-]1	REAL300019729736	1	39	-2.0	-93.27	348.82	3.18	-90.09
CCCC(NC(=O)CCC1=C(C)N=C(SC)[N-]C1=O)C1=N[N-]N=N1	REAL300019730527	1	43	-2.0	-104.72	375.76	1.69	-103.03
CCCC(NC(=O)CCC1=C(C)N=C(SC)[N-]C1=O)C1=NN=N[N-]1	REAL300019730527	1	43	-2.0	-104.68	375.82	1.71	-102.97
C=CCN1C(=O)C2=CC=C(C(=O)NC(CCC)C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019730633	0	44	-2.0	-89.19	389.70	5.47	-83.72
C=CCN1C(=O)C2=CC=C(C(=O)NC(CCC)C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019730633	1	44	-2.0	-89.19	389.76	5.49	-83.70
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019730634	0	40	-2.0	-89.25	355.14	3.98	-85.27
CCCC(NC(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019730634	1	40	-2.0	-89.25	355.20	3.99	-85.26
CCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300019730640	1	38	-2.0	-100.11	357.11	5.01	-95.10
CCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300019730640	1	38	-2.0	-100.09	357.16	5.02	-95.07
CCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019730664	1	41	-2.0	-98.93	381.25	6.35	-92.58
CCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019730664	1	41	-2.0	-98.91	381.31	6.37	-92.54
CCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019730665	1	44	-2.0	-103.73	385.94	6.51	-97.22
CCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019730665	1	44	-2.0	-103.75	385.99	6.53	-97.22
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL300019730666	0	40	-2.0	-103.50	359.10	4.43	-99.07
CCCC(NC(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL300019730666	1	40	-2.0	-103.47	359.16	4.44	-99.03
CCCC(NC(=O)CCN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019730688	1	47	-2.0	-102.65	405.79	7.07	-95.58
CCCC(NC(=O)CCN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019730688	1	47	-2.0	-102.66	405.84	7.08	-95.58
CCCC(NC(=O)C1=CC=C2C(=O)N(CC)C(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019730689	0	43	-2.0	-89.67	376.44	4.90	-84.77
CCCC(NC(=O)C1=CC=C2C(=O)N(CC)C(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019730689	1	43	-2.0	-89.73	376.50	4.92	-84.81
CCCC(NC(=O)CCN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL300019730700	0	43	-2.0	-95.85	379.67	4.88	-90.97
CCCC(NC(=O)CCN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL300019730700	1	43	-2.0	-95.85	379.72	4.89	-90.96
CCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(OC)C=C1)C1=N[N-]N=N1	REAL300019730729	1	45	-2.0	-101.44	393.97	5.15	-96.29
CCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(OC)C=C1)C1=NN=N[N-]1	REAL300019730729	1	45	-2.0	-101.38	394.03	5.16	-96.22
CCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300019730730	1	44	-2.0	-119.77	385.94	6.50	-113.27
CCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300019730730	1	44	-2.0	-119.78	386.00	6.52	-113.26
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])C1=N[N-]N=N1	REAL300019730768	0	47	-2.0	-114.76	401.44	2.30	-112.46
CCCC(NC(=O)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])C1=NN=N[N-]1	REAL300019730768	1	47	-2.0	-114.75	401.50	2.31	-112.44
CCCC(NC(=O)C1=CC(Br)=CC=C1[O-])C1=N[N-]N=N1	REAL300019730769	1	32	-2.0	-107.43	300.86	3.78	-103.65
CCCC(NC(=O)C1=CC(Br)=CC=C1[O-])C1=NN=N[N-]1	REAL300019730769	1	32	-2.0	-107.44	300.92	3.80	-103.64
CCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019730776	1	38	-2.0	-118.93	324.56	5.50	-113.43
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=N[N-]N=N1	REAL300019730778	0	34	-2.0	-88.98	307.72	3.33	-85.65
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=NN=N[N-]1	REAL300019730778	1	34	-2.0	-88.96	307.78	3.34	-85.62
CCCC(NC(=O)C1=CC=C(N2[N-]C(CC(=O)OC)=CC2=O)C=C1)C1=N[N-]N=N1	REAL300019730878	0	48	-2.0	-96.18	413.99	4.71	-91.47
CCCC(NC(=O)C1=CC=C(N2[N-]C(CC(=O)OC)=CC2=O)C=C1)C1=NN=N[N-]1	REAL300019730878	1	48	-2.0	-96.20	414.05	4.73	-91.47
CCCC(NC(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=NN=N[N-]1	REAL300019730956	0	39	-2.0	-89.62	339.70	-1.10	-90.72
CCCC(NC(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=N[N-]N=N1	REAL300019730956	1	39	-2.0	-89.61	339.64	-1.12	-90.73
CCCC(NC(=O)C(C)N1C(=S)[N-]N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300019731524	1	41	-2.0	-107.75	368.37	5.03	-102.72
CCCC(NC(=O)C(C)N1C(=S)[N-]N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300019731524	1	41	-2.0	-107.69	368.42	5.05	-102.64
CCCC(NC(=O)CCN1C=C[N-]C(=O)C1=O)C1=N[N-]N=N1	REAL300019731550	1	37	-2.0	-101.97	326.38	0.21	-101.76
CCCC(NC(=O)CCN1C=C[N-]C(=O)C1=O)C1=NN=N[N-]1	REAL300019731550	1	37	-2.0	-101.99	326.44	0.23	-101.76
CCCC(NC(=O)CC1=C(C)N=C(C2=NC=CC=N2)[N-]C1=O)C1=N[N-]N=N1	REAL300019731575	0	44	-2.0	-127.67	382.93	0.90	-126.77
CCCC(NC(=O)CC1=C(C)N=C(C2=NC=CC=N2)[N-]C1=O)C1=NN=N[N-]1	REAL300019731575	1	44	-2.0	-127.65	382.99	0.92	-126.73
CCCC(NC(=O)CC1=C(C)N2[N-]C(=O)C=C2N=C1C)C1=N[N-]N=N1	REAL300019731689	0	43	-2.0	-111.42	362.31	1.50	-109.92
CCCC(NC(=O)CC1=C(C)N2[N-]C(=O)C=C2N=C1C)C1=NN=N[N-]1	REAL300019731689	1	43	-2.0	-111.47	362.36	1.52	-109.95
CCCC(NC(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300019731698	0	43	-2.0	-99.30	375.90	-2.74	-102.04
CCCC(NC(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300019731698	1	43	-2.0	-99.31	375.95	-2.73	-102.04
CCCC(NC(=O)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)C1=NN=N[N-]1	REAL300019731757	0	40	-2.0	-95.03	360.32	3.23	-91.80
CCCC(NC(=O)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)C1=N[N-]N=N1	REAL300019731757	1	40	-2.0	-95.03	360.26	3.22	-91.81
CCCC(NC(=O)CN1[N-]C=C2C1=NC=NC2=O)C1=N[N-]N=N1	REAL300019731822	0	36	-2.0	-98.32	323.97	0.50	-97.82
CCCC(NC(=O)CN1[N-]C=C2C1=NC=NC2=O)C1=NN=N[N-]1	REAL300019731822	1	36	-2.0	-98.33	324.02	0.52	-97.81
CCCC(NC(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=N[N-]N=N1	REAL300019731953	1	41	-2.0	-110.10	357.90	0.59	-109.51
CCCC(NC(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=NN=N[N-]1	REAL300019731953	1	41	-2.0	-110.06	357.95	0.61	-109.45
CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]CC(N)=O)O1)C1=N[N-]N=N1	REAL300019732075	1	40	-2.0	-95.91	373.01	-5.52	-101.43
CCCC(NC(=O)C1=CC(=O)N(C2=CC=C(C)C=C2)[N-]1)C1=N[N-]N=N1	REAL300019732083	0	42	-2.0	-99.96	362.53	3.96	-96.00
CCCC(NC(=O)C1=CC(=O)N(C2=CC=C(C)C=C2)[N-]1)C1=NN=N[N-]1	REAL300019732083	1	42	-2.0	-99.96	362.59	3.98	-95.98
CCCC(NC(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=N[N-]N=N1	REAL300019732106	0	34	-2.0	-90.35	314.74	0.95	-89.40
CCCC(NC(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=NN=N[N-]1	REAL300019732106	1	34	-2.0	-90.40	314.79	0.96	-89.44
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C1=NN=N[N-]1	REAL300019732188	0	40	-2.0	-102.25	346.56	1.27	-100.98
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C1=N[N-]N=N1	REAL300019732188	1	40	-2.0	-102.29	346.50	1.26	-101.03
CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019732190	0	43	-2.0	-119.33	371.97	2.14	-117.19
CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019732190	1	43	-2.0	-119.30	372.03	2.16	-117.14
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019732191	0	39	-2.0	-115.16	348.90	2.91	-112.25
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019732191	1	39	-2.0	-115.16	348.96	2.92	-112.24
CCCC(NC(=O)C1=CC(=O)N(C2=NC(C)=CC(C)=N2)[N-]1)C1=N[N-]N=N1	REAL300019732192	0	43	-2.0	-108.28	378.04	4.36	-103.92
CCCC(NC(=O)C1=CC(=O)N(C2=NC(C)=CC(C)=N2)[N-]1)C1=NN=N[N-]1	REAL300019732192	1	43	-2.0	-108.27	378.10	4.37	-103.90
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300019732194	0	39	-2.0	-124.59	346.99	3.00	-121.59
CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300019732194	1	39	-2.0	-124.61	347.05	3.01	-121.60
CCCC(NC(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=N[N-]N=N1	REAL300019733230	1	34	-2.0	-98.50	314.75	4.43	-94.07
CCCC(NC(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=NN=N[N-]1	REAL300019733230	1	34	-2.0	-98.45	314.81	4.44	-94.01
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300019733330	0	42	-2.0	-124.33	367.24	3.49	-120.84
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300019733330	1	42	-2.0	-124.28	367.30	3.51	-120.77
CCCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019733339	0	48	-2.0	-121.03	402.75	4.76	-116.27
CCCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019733339	1	48	-2.0	-120.97	402.81	4.78	-116.19
CCCC(NC(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019733532	0	34	-2.0	-93.01	314.79	0.94	-92.07
CCCC(NC(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019733532	1	34	-2.0	-93.02	314.85	0.95	-92.07
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019733570	0	39	-2.0	-117.38	348.90	2.91	-114.47
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019733570	1	39	-2.0	-117.38	348.96	2.92	-114.46
CCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL300019733595	1	37	-2.0	-120.63	322.06	3.78	-116.85
CCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL300019733595	1	37	-2.0	-120.62	322.12	3.80	-116.82
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019733705	0	42	-2.0	-124.47	372.39	4.28	-120.19
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019733705	1	42	-2.0	-124.47	372.45	4.29	-120.18
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019733706	0	39	-2.0	-117.30	359.22	3.36	-113.94
CCCC(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019733706	1	39	-2.0	-117.31	359.28	3.38	-113.93
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300019733707	0	39	-2.0	-117.55	352.24	2.88	-114.67
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300019733707	1	39	-2.0	-117.53	352.30	2.90	-114.63
CCCC(NC(=O)C1=CC(=O)N=C(C2CC2)[N-]1)C1=N[N-]N=N1	REAL300019733783	0	37	-2.0	-96.09	324.55	1.07	-95.02
CCCC(NC(=O)C1=CC(=O)N=C(C2CC2)[N-]1)C1=NN=N[N-]1	REAL300019733783	1	37	-2.0	-96.12	324.61	1.09	-95.03
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019733844	0	39	-2.0	-120.69	342.49	2.84	-117.85
CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019733844	1	39	-2.0	-120.66	342.55	2.86	-117.80
CCCC(NC(=O)C1=C([O-])C=NC2=C(Br)C=CC=C21)C1=N[N-]N=N1	REAL300019733852	1	37	-2.0	-112.86	345.48	2.47	-110.39
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=N[N-]N=N1	REAL300019733905	0	37	-2.0	-113.97	333.75	-1.89	-115.86
CCCC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=NN=N[N-]1	REAL300019733905	1	37	-2.0	-113.97	333.80	-1.88	-115.85
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=N[N-]N=N1	REAL300019733992	0	35	-2.0	-110.56	317.02	4.19	-106.37
CCCC(NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=NN=N[N-]1	REAL300019733992	1	35	-2.0	-110.53	317.08	4.21	-106.32
CCCC(NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=N[N-]N=N1	REAL300019733994	0	37	-2.0	-97.32	330.98	1.31	-96.01
CCCC(NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=NN=N[N-]1	REAL300019733994	1	37	-2.0	-97.32	331.04	1.32	-96.00
CCCC([N-]C(=O)C(F)(F)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019734026	1	34	-2.0	-113.00	331.80	3.22	-109.78
CCCC(NC(=O)C1=CN=C(I)C([O-])=C1)C1=N[N-]N=N1	REAL300019734029	0	31	-2.0	-91.11	303.61	0.73	-90.38
CCCC(NC(=O)C1=CN=C(I)C([O-])=C1)C1=NN=N[N-]1	REAL300019734029	1	31	-2.0	-91.14	303.67	0.75	-90.39
CCCC(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300019734048	0	34	-2.0	-105.33	322.29	4.93	-100.40
CCCC(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300019734048	1	34	-2.0	-105.36	322.35	4.94	-100.42
CCCC(NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019734067	1	37	-2.0	-124.66	320.40	3.64	-121.02
CCCC(NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019734067	1	37	-2.0	-124.63	320.34	3.63	-121.00
CCCC(NC(=O)C1=CC(OC)=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019735240	0	38	-2.0	-91.07	336.88	3.18	-87.89
CCCC(NC(=O)C1=CC(OC)=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019735240	1	38	-2.0	-91.06	336.94	3.20	-87.86
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=N[N-]N=N1	REAL300019735241	0	32	-2.0	-110.13	301.93	3.72	-106.41
CCCC(NC(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=NN=N[N-]1	REAL300019735241	1	32	-2.0	-110.14	301.99	3.74	-106.40
CCCC([N-]C(=O)C(F)(F)C1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL300019735273	1	33	-2.0	-108.20	316.60	1.09	-107.11
CCCC(NC(=O)C1=CC2=C(C=C(C(=O)OC)[N-]2)O1)C1=N[N-]N=N1	REAL300019735351	1	38	-2.0	-88.92	343.18	1.88	-87.04
CCCC(NC(=O)C1=CC2=C(C=C(C(=O)OC)[N-]2)O1)C1=NN=N[N-]1	REAL300019735351	1	38	-2.0	-88.93	343.24	1.89	-87.04
CCCC(NC(=O)C1=CN=C(COC)[N-]C1=O)C1=N[N-]N=N1	REAL300019735588	1	37	-2.0	-97.17	322.74	-1.23	-98.40
CCCC(NC(=O)C1=CN=C(COC)[N-]C1=O)C1=NN=N[N-]1	REAL300019735588	1	37	-2.0	-97.18	322.80	-1.21	-98.39
CCCC(NC(=O)C1=CC(C)=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019735691	0	37	-2.0	-88.21	327.74	4.08	-84.13
CCCC(NC(=O)C1=CC(C)=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019735691	1	37	-2.0	-88.23	327.80	4.10	-84.13
CCCC([N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F)C1=N[N-]N=N1	REAL300019735694	0	31	-2.0	-100.11	305.91	-0.63	-100.74
CCCC([N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F)C1=NN=N[N-]1	REAL300019735694	1	31	-2.0	-100.11	305.97	-0.60	-100.71
CCCC(NC(=O)C1=CC(Cl)=C([O-])C=C1C)C1=N[N-]N=N1	REAL300019735706	0	35	-2.0	-88.81	313.76	2.80	-86.01
CCCC(NC(=O)C1=CC(Cl)=C([O-])C=C1C)C1=NN=N[N-]1	REAL300019735706	1	35	-2.0	-88.80	313.82	2.80	-86.00
CCCC(NC(=O)C1=C(Br)[N-]N=C1Br)C1=N[N-]N=N1	REAL300019735729	1	28	-2.0	-87.80	297.85	0.80	-87.00
CCCC(NC(=O)C1=C(Br)[N-]N=C1Br)C1=NN=N[N-]1	REAL300019735729	1	28	-2.0	-87.78	297.91	0.82	-86.96
CCCC([N-]C(=O)C(F)(F)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019735790	1	34	-2.0	-113.00	315.75	2.52	-110.48
CCCC(NC(=O)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)C1=N[N-]N=N1	REAL300019736083	0	42	-2.0	-83.09	377.28	4.34	-78.75
CCCC(NC(=O)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)C1=NN=N[N-]1	REAL300019736083	1	42	-2.0	-83.10	377.34	4.36	-78.74
CCCC([N-]C(=O)C(F)(F)C1=CSC=C1Br)C1=N[N-]N=N1	REAL300019736181	1	31	-2.0	-111.26	312.60	1.86	-109.40
O=C([N-]NC(=O)C1=NNC(=O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019737408	0	31	-2.0	-88.18	302.85	-3.31	-91.49
O=C([N-]NC(=O)C1=NNC(=O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019737408	1	31	-2.0	-88.17	302.92	-3.31	-91.48
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2[N-]C(=S)OC2=C1	REAL300019737629	0	31	-2.0	-102.40	293.83	0.66	-101.74
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2[N-]C(=S)OC2=C1	REAL300019737629	1	31	-2.0	-102.41	293.88	0.67	-101.74
O=C(NC1=CC=C2[N-]C(=S)OC2=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019737630	0	34	-2.0	-110.62	317.95	3.57	-107.05
O=C(NC1=CC=C2[N-]C(=S)OC2=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019737630	1	34	-2.0	-110.36	318.04	3.61	-106.75
O=C(NC1=CC=C2[N-]C(=S)OC2=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019737631	0	31	-2.0	-78.27	304.43	0.44	-77.83
O=C(NC1=CC=C2[N-]C(=S)OC2=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019737631	1	31	-2.0	-78.21	304.49	0.45	-77.76
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300019737736	1	44	-2.0	-93.86	363.73	4.91	-88.95
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300019737736	1	44	-2.0	-93.89	363.79	4.92	-88.97
O=C(C1=CC=C([O-])C=C1)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019737738	1	44	-2.0	-83.30	371.62	5.19	-78.11
O=C(C1=CC=C([O-])C=C1)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019737738	1	44	-2.0	-83.31	371.69	5.19	-78.12
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300019738731	0	29	-2.0	-96.05	293.65	1.50	-94.55
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300019738731	1	29	-2.0	-96.07	293.71	1.52	-94.55
O=C([N-]C1=NN=C(CC(F)(F)F)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019738733	0	29	-2.0	-86.35	305.60	1.34	-85.01
O=C([N-]NC(=O)C(=O)NC1=CC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019738841	0	35	-2.0	-95.27	334.42	-0.87	-96.14
O=C([N-]NC(=O)C(=O)NC1=CC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019738841	1	35	-2.0	-95.27	334.48	-0.86	-96.13
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019739044	0	29	-2.0	-84.85	291.69	2.45	-82.40
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019739044	1	29	-2.0	-84.86	291.75	2.46	-82.40
O=C(NC1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019739045	0	32	-2.0	-93.65	316.87	5.34	-88.31
O=C(NC1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019739045	1	32	-2.0	-93.51	316.98	5.37	-88.14
O=C(NC1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019739046	0	29	-2.0	-78.03	303.09	2.23	-75.80
O=C(NC1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739046	1	29	-2.0	-78.02	303.15	2.24	-75.78
CSCCNC(=S)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019739079	0	34	-2.0	-78.86	335.72	1.75	-77.11
CSCCNC(=S)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739079	1	34	-2.0	-78.89	335.79	1.75	-77.14
COC1=CC=CC=C1SCC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019739154	0	40	-2.0	-96.36	372.83	1.67	-94.69
COC1=CC=CC=C1SCC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739154	1	40	-2.0	-96.33	372.89	1.67	-94.66
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(S(=O)(=O)[N-]C2=NN=CS2)C=C1	REAL300019739168	0	38	-2.0	-100.17	365.83	0.63	-99.54
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(S(=O)(=O)[N-]C2=NN=CS2)C=C1	REAL300019739168	1	38	-2.0	-100.12	365.77	0.61	-99.51
O=C(CSC1=CC=CC=C1O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019739199	0	37	-2.0	-94.40	354.34	-0.49	-94.89
O=C(CSC1=CC=CC=C1O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739199	1	37	-2.0	-94.39	354.41	-0.49	-94.88
CN1C(=O)CN([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL300019739264	0	30	-2.0	-84.02	284.28	-1.07	-85.09
CN1C(=O)CN([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL300019739264	1	30	-2.0	-84.00	284.35	-1.06	-85.06
CC(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[N-]C1=NC=CS1	REAL300019739352	1	43	-2.0	-87.15	370.66	2.98	-84.17
CC(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[N-]C1=NC=CS1	REAL300019739352	1	43	-2.0	-87.16	370.61	2.97	-84.19
CC(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[N-]C1=NC=CS1	REAL300019739353	1	43	-2.0	-81.27	381.27	2.79	-78.48
CC(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[N-]C1=NC=CS1	REAL300019739353	1	43	-2.0	-81.31	381.21	2.79	-78.52
CCC1=C(C(=O)OC)SC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL300019739407	1	36	-2.0	-87.56	329.05	2.38	-85.18
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019739847	0	38	-2.0	-95.34	341.93	-0.19	-95.53
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019739847	1	38	-2.0	-95.35	341.99	-0.18	-95.53
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019739848	0	41	-2.0	-104.54	365.45	2.72	-101.82
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019739848	1	41	-2.0	-104.35	365.55	2.73	-101.62
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019739849	0	38	-2.0	-89.40	352.50	-0.41	-89.81
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019739849	1	38	-2.0	-89.36	352.57	-0.40	-89.76
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=NC=C2)S1	REAL300019739958	0	32	-2.0	-97.29	306.43	1.56	-95.73
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=NC=C2)S1	REAL300019739958	1	32	-2.0	-97.28	306.48	1.58	-95.70
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019739960	0	32	-2.0	-87.92	317.87	1.26	-86.66
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019740277	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	REAL300019740277	1	40	-2.0	-95.15	340.11	1.35	-93.80
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019740296	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	REAL300019740296	1	40	-2.0	-104.94	356.11	1.01	-103.93
CCOC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1[O-]	REAL300019740353	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-]	REAL300019740353	1	40	-2.0	-87.25	345.13	4.00	-83.25
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019740656	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	REAL300019740656	1	40	-2.0	-91.06	346.54	1.43	-89.63
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019741231	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	REAL300019741231	1	43	-2.0	-98.48	361.52	2.03	-96.45
CSC1=NC(C)=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019741253	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	REAL300019741253	1	44	-2.0	-93.44	371.59	2.87	-90.57
C=CCN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300019741383	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	REAL300019741383	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	REAL300019741384	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	REAL300019741384	1	41	-2.0	-84.97	351.62	4.68	-80.29
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019741408	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	REAL300019741408	1	39	-2.0	-104.85	352.92	6.13	-98.72
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019741462	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	REAL300019741462	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	REAL300019741463	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	REAL300019741463	1	41	-2.0	-99.48	354.90	5.56	-93.92
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019741493	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	REAL300019741493	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	REAL300019741494	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	REAL300019741494	1	44	-2.0	-79.00	372.18	5.71	-73.29
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC(C2=N[N-]N=N2)C1	REAL300019741514	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	REAL300019741514	1	44	-2.0	-91.91	375.49	6.06	-85.85
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019741552	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	REAL300019741552	1	45	-2.0	-105.78	381.71	7.61	-98.17
O=C(C1=CC(Br)=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019741600	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	REAL300019741600	1	33	-2.0	-95.14	299.91	3.38	-91.76
O=C(C1=CC(Cl)=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019741601	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	REAL300019741601	1	33	-2.0	-95.13	295.35	3.28	-91.85
O=C(C1=CC=C(Cl)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019741608	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	REAL300019741608	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	REAL300019741609	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	REAL300019741609	1	33	-2.0	-83.17	293.95	2.95	-80.22
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019741613	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	REAL300019741613	1	39	-2.0	-108.80	323.56	5.21	-103.59
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019741616	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	REAL300019741616	1	35	-2.0	-83.42	304.09	4.19	-79.23
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019741830	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	REAL300019741830	1	40	-2.0	-86.34	335.31	-0.34	-86.68
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742161	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	REAL300019742161	1	46	-2.0	-97.06	383.07	3.05	-94.01
NC1=NC([O-])=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300019742380	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	REAL300019742380	1	34	-2.0	-107.15	301.88	-1.78	-108.93
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742502	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	REAL300019742502	1	43	-2.0	-96.52	361.57	2.26	-94.26
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019742535	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	REAL300019742535	1	42	-2.0	-108.41	361.26	6.03	-102.38
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742572	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	REAL300019742572	1	38	-2.0	-92.83	322.23	1.39	-91.44
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019742598	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	REAL300019742598	1	45	-2.0	-116.08	379.66	2.12	-113.96
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742752	1	44	-2.0	-109.48	358.09	2.67	-106.81
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)[N-]C1=NN=C(C2CC2)O1	REAL300019742772	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	REAL300019742772	1	44	-2.0	-93.72	371.70	-1.58	-95.30
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019743125	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	REAL300019743125	1	42	-2.0	-107.66	353.70	1.76	-105.90
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300019743293	1	41	-2.0	-87.14	365.65	-4.50	-91.64
CC1=CC=C(N2[N-]C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=O)C=C1	REAL300019743303	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	REAL300019743303	1	43	-2.0	-90.58	355.27	5.37	-85.21
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743332	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	REAL300019743332	1	35	-2.0	-86.70	311.11	1.78	-84.92
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019743439	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	REAL300019743439	1	41	-2.0	-102.21	350.60	1.89	-100.32
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300019743443	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	REAL300019743443	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	REAL300019743444	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	REAL300019743444	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	REAL300019743445	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	REAL300019743445	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	REAL300019743446	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	REAL300019743446	1	40	-2.0	-113.70	338.69	4.35	-109.35
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019743544	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	REAL300019743544	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	REAL300019743545	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	REAL300019743545	1	32	-2.0	-80.99	316.12	2.73	-78.26
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019743576	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	REAL300019743576	1	43	-2.0	-106.90	367.86	4.69	-102.21
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300019743700	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	REAL300019743700	1	49	-2.0	-110.02	395.59	6.15	-103.87
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743785	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	REAL300019743785	1	35	-2.0	-79.09	305.64	3.02	-76.07
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300019743788	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	REAL300019743788	1	49	-2.0	-91.30	411.04	3.66	-87.64
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300019743834	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	REAL300019743834	1	46	-2.0	-91.25	392.11	2.88	-88.37
O=C(C1=CC=CC(Br)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019743892	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	REAL300019743892	1	33	-2.0	-102.20	297.96	3.38	-98.82
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C([O-])=C1	REAL300019743896	1	50	-2.0	-108.17	396.50	3.80	-104.37
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019743906	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	REAL300019743906	1	35	-2.0	-109.30	301.05	4.96	-104.34
O=C(C1=CC(I)=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019743974	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	REAL300019743974	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	REAL300019743975	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	REAL300019743975	1	35	-2.0	-90.70	303.21	4.19	-86.51
O=C(C1=CC=C(Br)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019743976	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	REAL300019743976	1	33	-2.0	-95.28	298.49	3.79	-91.49
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743979	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	REAL300019743979	1	39	-2.0	-101.75	337.83	5.63	-96.12
O=C(C1=C([O-])C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743992	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	REAL300019743992	1	33	-2.0	-97.62	297.30	3.02	-94.60
O=C(C1=CC=CC(Cl)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019744226	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	REAL300019744226	1	33	-2.0	-103.30	293.57	3.27	-100.03
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019744271	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	REAL300019744271	1	36	-2.0	-93.70	315.87	4.17	-89.53
O=C(C1=CC=C(I)C([O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744466	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	REAL300019744466	1	33	-2.0	-81.80	304.66	3.52	-78.28
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744482	0	38	-2.0	-83.28	339.92	0.62	-82.66
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019744482	1	38	-2.0	-83.27	339.97	0.65	-82.62
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744483	0	37	-2.0	-84.59	316.18	2.22	-82.37
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019744483	1	37	-2.0	-84.57	316.24	2.24	-82.33
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744484	0	33	-2.0	-83.07	300.22	3.00	-80.07
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019744484	1	33	-2.0	-83.11	300.28	3.02	-80.09
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744503	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	REAL300019744503	1	41	-2.0	-85.30	332.61	0.99	-84.31
O=C(C1=CC=CC(I)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019744506	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	REAL300019744506	1	33	-2.0	-99.81	304.24	3.86	-95.95
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019744527	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	REAL300019744527	1	44	-2.0	-106.00	370.55	1.53	-104.47
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744556	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	REAL300019744556	1	35	-2.0	-87.07	303.39	4.19	-82.88
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744558	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	REAL300019744558	1	33	-2.0	-90.74	296.23	2.57	-88.17
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744565	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	REAL300019744565	1	33	-2.0	-85.85	289.84	2.52	-83.33
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019744599	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	REAL300019744599	1	35	-2.0	-97.01	305.18	3.89	-93.12
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744631	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	REAL300019744631	1	38	-2.0	-78.09	317.42	1.24	-76.85
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(=O)[N-]C1=O	REAL300019744739	1	36	-2.0	-83.85	311.73	-3.08	-86.93
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744782	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	REAL300019744782	1	34	-2.0	-82.25	302.12	2.01	-80.24
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744845	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	REAL300019744845	1	33	-2.0	-87.39	297.53	-0.94	-88.33
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744886	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	REAL300019744886	1	35	-2.0	-90.23	315.35	5.42	-84.81
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019744905	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	REAL300019744905	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	REAL300019744905	1	42	-2.0	-91.59	366.69	3.16	-88.43
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300019745040	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	REAL300019745040	1	43	-2.0	-114.80	360.14	4.88	-109.92
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300019745053	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	REAL300019745053	1	49	-2.0	-110.74	395.65	6.15	-104.59
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C([O-])C=C1	REAL300019745095	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	REAL300019745095	1	35	-2.0	-84.42	304.00	2.40	-82.02
O=C(C1=C(F)C=CC([O-])=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745182	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	REAL300019745182	1	33	-2.0	-91.05	294.12	2.61	-88.44
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745344	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	REAL300019745344	1	35	-2.0	-89.89	309.33	1.73	-88.16
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019745390	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	REAL300019745390	1	40	-2.0	-108.92	341.81	4.31	-104.61
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745428	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	REAL300019745428	1	38	-2.0	-103.32	314.93	5.38	-97.94
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019745597	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	REAL300019745597	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	REAL300019745598	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	REAL300019745598	1	40	-2.0	-109.34	345.15	4.28	-105.06
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019745812	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	REAL300019745812	1	40	-2.0	-111.16	335.41	4.24	-106.92
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019745902	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	REAL300019745902	1	38	-2.0	-106.35	329.22	-1.52	-107.87
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019746016	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	REAL300019746016	1	36	-2.0	-103.38	314.94	3.79	-99.59
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746019	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	REAL300019746019	1	38	-2.0	-94.13	325.72	2.07	-92.06
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019746098	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	REAL300019746098	1	35	-2.0	-97.76	321.30	5.03	-92.73
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746129	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	REAL300019746129	1	38	-2.0	-116.24	318.18	3.32	-112.92
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=S)[N-]C(=O)N1	REAL300019747221	1	35	-2.0	-101.70	309.65	0.55	-101.15
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=S)[N-]C(=O)N1	REAL300019747221	1	35	-2.0	-101.72	309.70	0.58	-101.14
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019747223	0	31	-2.0	-84.52	281.68	1.56	-82.96
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019747223	1	31	-2.0	-84.55	281.74	1.59	-82.96
O=C(C1=NC=C(Br)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019747366	0	32	-2.0	-91.51	290.93	3.64	-87.87
O=C(C1=NC=C(Br)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300019747366	1	32	-2.0	-91.46	290.99	3.66	-87.80
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300019747538	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	REAL300019747538	1	42	-2.0	-102.80	360.94	4.21	-98.59
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019747571	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	REAL300019747571	1	37	-2.0	-83.62	345.52	3.00	-80.62
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019747589	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	REAL300019747589	1	33	-2.0	-94.97	311.32	3.82	-91.15
CC1=CC(C=O)=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019747593	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	REAL300019747593	1	38	-2.0	-92.11	320.96	3.15	-88.96
CC(C)CN1[N-]C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300019747704	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	REAL300019747704	1	45	-2.0	-101.00	365.64	4.07	-96.93
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019747769	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-]	REAL300019747769	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	REAL300019747770	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	REAL300019747770	1	33	-2.0	-103.38	299.96	3.23	-100.15
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019747811	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	REAL300019747811	1	33	-2.0	-83.71	294.00	2.92	-80.79
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)O2)[N-]1	REAL300019747926	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	REAL300019747926	1	39	-2.0	-92.26	335.76	2.93	-89.33
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019747982	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	REAL300019747982	1	33	-2.0	-97.68	291.20	2.89	-94.79
COCC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019748243	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	REAL300019748243	1	38	-2.0	-98.39	318.78	-0.57	-98.96
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019748382	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-]	REAL300019748382	1	38	-2.0	-82.98	324.10	4.91	-78.07
O=C(C1=CC=C(F)C([O-])=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019748386	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	REAL300019748386	1	33	-2.0	-99.13	290.28	2.51	-96.62
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019748399	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	REAL300019748399	1	36	-2.0	-83.39	312.77	3.55	-79.84
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019748958	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	REAL300019748958	1	41	-2.0	-112.83	336.55	-0.36	-113.19
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019750242	1	46	-2.0	-97.45	395.67	1.10	-96.35
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019750242	1	46	-2.0	-97.49	395.73	1.12	-96.37
O=C(CCCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300019750243	1	47	-2.0	-98.32	396.85	1.38	-96.94
O=C(CCCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300019750243	1	47	-2.0	-98.27	396.91	1.39	-96.88
NS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019750244	1	34	-2.0	-96.01	313.16	-3.66	-99.67
NS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019750244	1	34	-2.0	-96.00	313.22	-3.64	-99.64
NS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019750245	1	37	-2.0	-106.21	338.29	-0.76	-106.97
NS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019750246	1	34	-2.0	-86.39	324.53	-3.87	-90.26
NS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019750246	1	34	-2.0	-86.38	324.59	-3.86	-90.24
O=C(CCCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300019750275	1	41	-2.0	-96.71	368.75	-0.77	-97.48
O=C(CCCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300019750275	1	41	-2.0	-96.70	368.81	-0.75	-97.45
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019750476	1	36	-2.0	-89.39	328.14	0.36	-89.03
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019750476	1	36	-2.0	-89.39	328.19	0.37	-89.02
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019750477	1	39	-2.0	-96.13	352.49	3.27	-92.86
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019750478	1	36	-2.0	-80.44	339.63	0.15	-80.29
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019750478	1	36	-2.0	-80.49	339.57	0.15	-80.34
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019750514	0	31	-2.0	-84.42	301.68	3.70	-80.72
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019750514	1	31	-2.0	-84.43	301.74	3.71	-80.72
O=C(NC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019750515	0	34	-2.0	-91.84	326.86	6.58	-85.26
O=C(NC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019750515	1	34	-2.0	-91.68	326.96	6.61	-85.07
O=C(NC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019750516	0	31	-2.0	-78.68	313.08	3.48	-75.20
O=C(NC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019750516	1	31	-2.0	-78.64	313.14	3.49	-75.15
CC(C)(C)OC(=O)NCC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019750577	0	42	-2.0	-88.75	369.97	-2.00	-90.75
CC(C)(C)OC(=O)NCC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019750577	1	42	-2.0	-88.72	370.04	-2.00	-90.72
CC1=CC(Br)=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019750583	1	32	-2.0	-88.86	301.57	2.72	-86.14
CC1=CC(Br)=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019750585	1	32	-2.0	-82.35	311.34	2.51	-79.84
CC1=CC(Br)=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019750585	1	32	-2.0	-82.34	311.41	2.52	-79.82
CC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019751023	0	37	-2.0	-94.08	323.87	4.74	-89.34
CC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019751023	1	37	-2.0	-93.88	323.97	4.75	-89.13
CC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019751024	0	34	-2.0	-82.23	310.84	1.61	-80.62
CC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019751024	1	34	-2.0	-82.17	310.90	1.62	-80.55
O=C(NC1=CC=CC(Cl)=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019751069	0	32	-2.0	-97.18	300.15	4.83	-92.35
O=C(NC1=CC=CC(Cl)=C1[O-])C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019751069	1	32	-2.0	-97.10	300.25	4.85	-92.25
O=C(NC1=CC=CC(Cl)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019751070	0	29	-2.0	-82.63	286.36	1.72	-80.91
O=C(NC1=CC=CC(Cl)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019751070	1	29	-2.0	-82.62	286.43	1.73	-80.89
N#CC1=CC=C([O-])C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019751071	0	33	-2.0	-94.74	304.15	4.71	-90.03
N#CC1=CC=C([O-])C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019751071	1	33	-2.0	-94.55	304.25	4.72	-89.83
N#CC1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019751072	0	30	-2.0	-78.23	291.20	1.59	-76.64
N#CC1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019751072	1	30	-2.0	-78.19	291.27	1.60	-76.59
NS(=O)(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1[O-]	REAL300019751100	0	34	-2.0	-94.95	313.38	-3.11	-98.06
NS(=O)(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1[O-]	REAL300019751100	1	34	-2.0	-94.96	313.44	-3.10	-98.06
NS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CC=C1[O-]	REAL300019751101	0	37	-2.0	-102.08	338.38	-0.25	-102.33
NS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=CC=C1[O-]	REAL300019751101	1	37	-2.0	-102.40	338.53	-0.25	-102.65
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1[O-]	REAL300019751102	0	34	-2.0	-83.94	323.96	-3.34	-87.28
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1[O-]	REAL300019751102	1	34	-2.0	-83.91	324.03	-3.33	-87.24
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC(Br)=C1[O-]	REAL300019751110	0	29	-2.0	-84.25	296.08	2.56	-81.69
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC(Br)=C1[O-]	REAL300019751110	1	29	-2.0	-84.28	296.14	2.59	-81.69
O=C(NC1=CC(Cl)=CC(Br)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019751111	0	29	-2.0	-77.35	307.47	2.34	-75.01
O=C(NC1=CC(Cl)=CC(Br)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019751111	1	29	-2.0	-77.34	307.54	2.35	-74.99
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300019751140	0	29	-2.0	-92.73	292.51	2.38	-90.35
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300019751140	1	29	-2.0	-92.80	292.57	2.39	-90.41
O=C(NC1=CC(Cl)=C([O-])C(Cl)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019751141	0	32	-2.0	-101.07	317.52	5.23	-95.84
O=C(NC1=CC(Cl)=C([O-])C(Cl)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019751141	1	32	-2.0	-100.88	317.57	5.25	-95.63
O=C(NC1=CC(Cl)=C([O-])C(Cl)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019751142	0	29	-2.0	-76.89	303.09	2.16	-74.73
O=C(NC1=CC(Cl)=C([O-])C(Cl)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019751142	1	29	-2.0	-76.92	303.15	2.17	-74.75
CC1=NNC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019751216	0	32	-2.0	-89.37	304.74	-1.78	-91.15
CC1=NNC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019751216	1	32	-2.0	-89.36	304.81	-1.76	-91.12
O=C([N-]NC(=O)C1=CC(C2=CC=CS2)=NN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019751227	0	36	-2.0	-89.77	354.66	0.34	-89.43
O=C([N-]NC(=O)C1=CC(C2=CC=CS2)=NN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019751227	1	36	-2.0	-89.77	354.73	0.35	-89.42
O=C([N-]NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019751230	0	39	-2.0	-88.06	368.83	1.28	-86.78
O=C([N-]NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019751230	1	39	-2.0	-88.02	368.90	1.29	-86.73
CC(C)(C)OC(=O)NCCCC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019751269	0	48	-2.0	-93.31	413.60	-0.57	-93.88
CC(C)(C)OC(=O)NCCCC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019751269	1	48	-2.0	-93.30	413.67	-0.57	-93.87
O=C(CCCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300019751493	1	44	-2.0	-98.81	381.75	0.51	-98.30
O=C(CCCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300019751493	1	44	-2.0	-98.83	381.81	0.52	-98.31
O=C(NC1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019751494	0	34	-2.0	-95.91	312.33	4.95	-90.96
O=C(NC1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019751494	1	34	-2.0	-95.75	312.43	4.98	-90.77
O=C(NC1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019751495	0	31	-2.0	-75.96	297.72	1.84	-74.12
O=C(NC1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019751495	1	31	-2.0	-75.94	297.79	1.85	-74.09
CS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019751512	0	35	-2.0	-95.84	320.46	-1.08	-96.92
CS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019751512	1	35	-2.0	-95.87	320.52	-1.07	-96.94
CS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019751513	0	38	-2.0	-104.73	343.99	1.83	-102.90
CS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019751513	1	38	-2.0	-104.54	344.09	1.84	-102.70
CS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019751514	0	35	-2.0	-90.21	331.04	-1.30	-91.51
CS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019751514	1	35	-2.0	-90.20	331.11	-1.29	-91.49
CC(CN(C)C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300019752020	0	39	-2.0	-100.53	334.29	1.01	-99.52
CC(CN(C)C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300019752020	1	39	-2.0	-100.54	334.35	1.03	-99.51
CC(CN(C)C(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019752042	0	39	-2.0	-107.23	351.83	0.67	-106.56
CC(CN(C)C(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019752042	1	39	-2.0	-107.17	351.89	0.69	-106.48
CCOC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300019752105	1	39	-2.0	-89.53	338.41	3.59	-85.94
CCOC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300019752105	1	39	-2.0	-89.56	338.47	3.60	-85.96
CC(CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300019752422	0	39	-2.0	-88.24	341.46	1.04	-87.20
CC(CN(C)C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300019752422	1	39	-2.0	-88.21	341.52	1.06	-87.15
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019753020	0	42	-2.0	-95.16	356.45	1.66	-93.50
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019753020	1	42	-2.0	-95.14	356.51	1.68	-93.46
CSC1=NC(C)=C(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)C(=O)[N-]1	REAL300019753043	1	43	-2.0	-95.29	367.27	2.50	-92.79
CSC1=NC(C)=C(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)C(=O)[N-]1	REAL300019753043	1	43	-2.0	-95.31	367.32	2.52	-92.79
C=CCN1C(=O)C2=CC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019753183	0	44	-2.0	-80.54	379.39	5.89	-74.65
C=CCN1C(=O)C2=CC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019753183	1	44	-2.0	-80.54	379.44	5.90	-74.64
CC(CN(C)C(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019753184	0	40	-2.0	-79.57	344.98	4.27	-75.30
CC(CN(C)C(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019753184	1	40	-2.0	-79.60	345.04	4.28	-75.32
CC(CN(C)C(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300019753207	1	38	-2.0	-108.21	348.61	5.78	-102.43
CC(CN(C)C(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300019753207	1	38	-2.0	-108.20	348.67	5.80	-102.40
CC(CN(C)C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300019753244	0	45	-2.0	-101.41	377.33	3.26	-98.15
CC(CN(C)C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300019753244	1	45	-2.0	-101.44	377.39	3.28	-98.16
CC(CN(C)C(=O)CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019753266	1	41	-2.0	-103.23	372.39	7.12	-96.11
CC(CN(C)C(=O)CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019753266	1	41	-2.0	-103.27	372.45	7.13	-96.14
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019753267	1	44	-2.0	-107.71	377.07	7.27	-100.44
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019753267	1	44	-2.0	-107.72	377.13	7.29	-100.43
CC(CN(C)C(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL300019753268	0	40	-2.0	-101.63	350.60	5.21	-96.42
CC(CN(C)C(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL300019753268	1	40	-2.0	-101.66	350.66	5.22	-96.44
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019753298	1	47	-2.0	-94.63	397.28	7.87	-86.76
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019753298	1	47	-2.0	-94.58	397.34	7.89	-86.69
CCN1C(=O)C2=CC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019753299	0	43	-2.0	-79.93	366.12	5.33	-74.60
CCN1C(=O)C2=CC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019753299	1	43	-2.0	-79.94	366.17	5.34	-74.60
CC(CN(C)C(=O)CCN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL300019753318	0	43	-2.0	-94.36	371.17	5.70	-88.66
CC(CN(C)C(=O)CCN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL300019753318	1	43	-2.0	-94.27	371.23	5.71	-88.56
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019753361	1	45	-2.0	-107.12	385.12	5.90	-101.22
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019753361	1	45	-2.0	-107.15	385.17	5.91	-101.24
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019753362	1	44	-2.0	-111.48	377.41	7.25	-104.23
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019753362	1	44	-2.0	-111.44	377.47	7.27	-104.17
CC(CN(C)C(=O)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])C1=N[N-]N=N1	REAL300019753418	0	47	-2.0	-100.77	394.52	1.44	-99.33
CC(CN(C)C(=O)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])C1=NN=N[N-]1	REAL300019753418	1	47	-2.0	-100.76	394.58	1.46	-99.30
CC(CN(C)C(=O)C1=CC(Br)=CC=C1[O-])C1=N[N-]N=N1	REAL300019753419	1	32	-2.0	-103.68	288.51	4.08	-99.60
CC(CN(C)C(=O)C1=CC(Br)=CC=C1[O-])C1=NN=N[N-]1	REAL300019753419	1	32	-2.0	-103.65	288.57	4.10	-99.55
CC(CN(C)C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019753426	1	38	-2.0	-106.95	313.74	5.57	-101.38
CC(CN(C)C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019753426	1	38	-2.0	-106.92	313.80	5.59	-101.33
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=N[N-]N=N1	REAL300019753428	0	34	-2.0	-96.11	295.84	3.77	-92.34
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=NN=N[N-]1	REAL300019753428	1	34	-2.0	-96.08	295.90	3.78	-92.30
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C2)[N-]1	REAL300019753558	0	48	-2.0	-89.93	403.73	5.11	-84.82
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C2)[N-]1	REAL300019753558	1	48	-2.0	-89.95	403.79	5.13	-84.82
CC(CN(C)C(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=N[N-]N=N1	REAL300019753650	0	39	-2.0	-82.53	328.67	-0.68	-83.21
CC(CN(C)C(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=NN=N[N-]1	REAL300019753650	1	39	-2.0	-82.52	328.72	-0.66	-83.18
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019753990	0	45	-2.0	-102.63	377.26	2.70	-99.93
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019753990	1	45	-2.0	-102.60	377.32	2.71	-99.89
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019754315	0	42	-2.0	-102.04	355.76	1.91	-100.13
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019754315	1	42	-2.0	-102.02	355.81	1.92	-100.10
CC(CN(C)C(=O)C(C)N1C(=S)[N-]N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300019754347	1	41	-2.0	-115.30	355.52	5.61	-109.69
CC(CN(C)C(=O)C(C)N1C(=S)[N-]N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300019754347	1	41	-2.0	-115.29	355.58	5.62	-109.67
CC(CN(C)C(=O)CCN1C=C[N-]C(=O)C1=O)C1=N[N-]N=N1	REAL300019754384	1	37	-2.0	-94.41	317.89	1.04	-93.37
CC(CN(C)C(=O)CCN1C=C[N-]C(=O)C1=O)C1=NN=N[N-]1	REAL300019754384	1	37	-2.0	-94.40	317.95	1.05	-93.35
CC1=C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019754413	0	44	-2.0	-119.02	374.43	1.72	-117.30
CC1=C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019754413	1	44	-2.0	-118.97	374.49	1.73	-117.24
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019754560	1	43	-2.0	-111.82	353.81	2.32	-109.50
CC(CN(C)C(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300019754577	0	43	-2.0	-95.75	367.40	-1.92	-97.67
CC(CN(C)C(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300019754577	1	43	-2.0	-95.74	367.46	-1.91	-97.65
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019754583	0	46	-2.0	-103.54	387.02	-0.09	-103.63
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019754583	1	46	-2.0	-103.53	387.08	-0.07	-103.60
CC(CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F)C1=N[N-]N=N1	REAL300019754610	0	39	-2.0	-96.41	354.08	1.59	-94.82
CC(CN(C)C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F)C1=NN=N[N-]1	REAL300019754610	1	39	-2.0	-96.37	354.14	1.61	-94.76
CC(CN(C)C(=O)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)C1=NN=N[N-]1	REAL300019754663	0	40	-2.0	-84.26	349.94	3.65	-80.61
CC(CN(C)C(=O)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)C1=N[N-]N=N1	REAL300019754663	1	40	-2.0	-84.27	349.88	3.64	-80.63
CC(CN(C)C(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=N[N-]N=N1	REAL300019754932	1	41	-2.0	-110.05	349.40	1.41	-108.64
CC(CN(C)C(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=NN=N[N-]1	REAL300019754932	1	41	-2.0	-110.03	349.46	1.43	-108.60
CC(CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]CC(N)=O)O1)C1=N[N-]N=N1	REAL300019755096	1	40	-2.0	-86.93	361.59	-4.65	-91.58
CC1=CC=C(N2[N-]C(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CC2=O)C=C1	REAL300019755105	0	42	-2.0	-89.85	350.90	5.04	-84.81
CC1=CC=C(N2[N-]C(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CC2=O)C=C1	REAL300019755105	1	42	-2.0	-89.89	350.96	5.06	-84.83
CC(CN(C)C(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=N[N-]N=N1	REAL300019755136	0	34	-2.0	-90.17	304.40	1.37	-88.80
CC(CN(C)C(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=NN=N[N-]1	REAL300019755136	1	34	-2.0	-90.19	304.45	1.38	-88.81
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019755248	0	40	-2.0	-96.51	343.34	1.34	-95.17
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019755248	1	40	-2.0	-96.47	343.28	1.33	-95.14
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)CC(C)C3=N[N-]N=N3)=N2)C=C1	REAL300019755252	0	43	-2.0	-112.99	360.89	3.21	-109.78
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)CC(C)C3=NN=N[N-]3)=N2)C=C1	REAL300019755252	1	43	-2.0	-112.94	360.95	3.23	-109.71
CC(CN(C)C(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019755253	0	39	-2.0	-109.50	337.82	3.98	-105.52
CC(CN(C)C(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019755253	1	39	-2.0	-109.50	337.88	3.99	-105.51
CC1=CC(C)=NC(N2[N-]C(C(=O)N(C)CC(C)C3=N[N-]N=N3)=CC2=O)=N1	REAL300019755254	0	43	-2.0	-100.78	367.38	5.43	-95.35
CC1=CC(C)=NC(N2[N-]C(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CC2=O)=N1	REAL300019755254	1	43	-2.0	-100.79	367.43	5.45	-95.34
CC(CN(C)C(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300019755256	0	39	-2.0	-111.30	335.56	4.06	-107.24
CC(CN(C)C(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300019755256	1	39	-2.0	-111.24	335.62	4.07	-107.17
COC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019755308	0	47	-2.0	-106.98	396.53	0.21	-106.77
COC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019755308	1	47	-2.0	-106.90	396.58	0.23	-106.67
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019755353	1	47	-2.0	-92.56	397.50	7.87	-84.69
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019755353	1	47	-2.0	-92.53	397.56	7.89	-84.64
CC(CN(C)C(=O)CSC1=N[N-]C(=S)S1)C1=N[N-]N=N1	REAL300019755354	0	31	-2.0	-82.65	311.78	2.35	-80.30
CC(CN(C)C(=O)CSC1=N[N-]C(=S)S1)C1=NN=N[N-]1	REAL300019755354	1	31	-2.0	-82.63	311.84	2.36	-80.27
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL300019755388	0	42	-2.0	-104.85	357.26	4.88	-99.97
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL300019755388	1	42	-2.0	-104.83	357.32	4.90	-99.93
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)CC(C)C3=N[N-]N=N3)=N2)C=C1	REAL300019755506	0	48	-2.0	-113.07	391.60	5.83	-107.24
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)CC(C)C3=NN=N[N-]3)=N2)C=C1	REAL300019755506	1	48	-2.0	-113.06	391.66	5.85	-107.21
CC(CN(C)C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019755584	0	34	-2.0	-78.52	299.64	2.60	-75.92
CC(CN(C)C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019755584	1	34	-2.0	-78.53	299.69	2.61	-75.92
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL300019755588	0	48	-2.0	-93.36	406.73	3.31	-90.05
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL300019755588	1	48	-2.0	-93.30	406.79	3.32	-89.98
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N(C)CC(C)C2=N[N-]N=N2)S1	REAL300019755630	0	45	-2.0	-93.31	387.81	2.54	-90.77
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N(C)CC(C)C2=NN=N[N-]2)S1	REAL300019755630	1	45	-2.0	-93.35	387.87	2.55	-90.80
CC(CN(C)C(=O)C1=CC=CC(Br)=C1[O-])C1=N[N-]N=N1	REAL300019755682	0	32	-2.0	-104.31	291.19	3.64	-100.67
CC(CN(C)C(=O)C1=CC=CC(Br)=C1[O-])C1=NN=N[N-]1	REAL300019755682	1	32	-2.0	-104.29	291.25	3.65	-100.64
CC(CN(C)C(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1[O-])C1=N[N-]N=N1	REAL300019755686	1	49	-2.0	-120.25	392.84	3.38	-116.87
CC(CN(C)C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300019755694	0	34	-2.0	-104.92	297.82	4.32	-100.60
CC(CN(C)C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300019755694	1	34	-2.0	-104.91	297.88	4.34	-100.57
CC(CN(C)C(=O)C1=CC(I)=CC=C1[O-])C1=N[N-]N=N1	REAL300019755751	1	32	-2.0	-104.01	294.99	4.56	-99.45
CC(CN(C)C(=O)C1=CC(I)=CC=C1[O-])C1=NN=N[N-]1	REAL300019755751	1	32	-2.0	-103.99	295.05	4.57	-99.42
CC(CN(C)C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=N[N-]N=N1	REAL300019755752	0	34	-2.0	-87.89	298.48	3.51	-84.38
CC(CN(C)C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=NN=N[N-]1	REAL300019755752	1	34	-2.0	-87.91	298.54	3.52	-84.39
CC(CN(C)C(=O)C1=CC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300019755753	1	32	-2.0	-105.15	293.00	3.41	-101.74
CC(CN(C)C(=O)C1=CC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300019755753	1	32	-2.0	-105.15	293.06	3.43	-101.72
CC(CN(C)C(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300019755755	0	38	-2.0	-105.64	331.05	5.58	-100.06
CC(CN(C)C(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300019755755	1	38	-2.0	-105.62	331.11	5.60	-100.02
CC(CN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019755954	0	39	-2.0	-80.95	353.25	1.46	-79.49
CC(CN(C)C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019755954	1	39	-2.0	-80.97	353.30	1.48	-79.49
CC(CN(C)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019756019	1	35	-2.0	-103.20	310.50	3.42	-99.78
CC(CN(C)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019756019	1	35	-2.0	-103.17	310.56	3.44	-99.73
CC(CN(C)C(=O)C1=CC=C(I)C([O-])=C1)C1=N[N-]N=N1	REAL300019756208	1	32	-2.0	-82.54	296.51	3.11	-79.43
CC(CN(C)C(=O)C1=CC=C(I)C([O-])=C1)C1=NN=N[N-]1	REAL300019756208	1	32	-2.0	-82.51	296.57	3.13	-79.38
CC(CN(C)C(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=N[N-]N=N1	REAL300019756220	0	37	-2.0	-85.61	331.72	0.24	-85.37
CC(CN(C)C(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=NN=N[N-]1	REAL300019756220	1	37	-2.0	-85.64	331.77	0.25	-85.39
CC(CN(C)C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=N[N-]N=N1	REAL300019756221	0	36	-2.0	-84.23	308.18	1.90	-82.33
CC(CN(C)C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=NN=N[N-]1	REAL300019756221	1	36	-2.0	-84.24	308.24	1.91	-82.33
CC(CN(C)C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300019756222	0	32	-2.0	-86.77	291.39	2.60	-84.17
CC(CN(C)C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300019756222	1	32	-2.0	-86.75	291.46	2.61	-84.14
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019756241	0	40	-2.0	-88.10	330.67	0.66	-87.44
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019756241	1	40	-2.0	-88.11	330.72	0.67	-87.44
CC(CN(C)C(=O)C1=CC=CC(I)=C1[O-])C1=N[N-]N=N1	REAL300019756243	0	32	-2.0	-101.82	297.47	4.11	-97.71
CC(CN(C)C(=O)C1=CC=CC(I)=C1[O-])C1=NN=N[N-]1	REAL300019756243	1	32	-2.0	-101.85	297.52	4.13	-97.72
CC(CN(C)C(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=N[N-]N=N1	REAL300019756259	0	43	-2.0	-102.11	367.55	0.67	-101.44
CC(CN(C)C(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=NN=N[N-]1	REAL300019756259	1	43	-2.0	-102.12	367.61	0.69	-101.43
CC(CN(C)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019756277	0	42	-2.0	-111.11	349.03	4.79	-106.32
CC(CN(C)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019756277	1	42	-2.0	-111.11	349.09	4.80	-106.31
CC(CN(C)C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019756285	0	34	-2.0	-90.44	297.34	3.80	-86.64
CC(CN(C)C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019756285	1	34	-2.0	-90.43	297.39	3.81	-86.62
CC(CN(C)C(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL300019756286	0	32	-2.0	-94.26	290.64	2.20	-92.06
CC(CN(C)C(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL300019756286	1	32	-2.0	-94.26	290.69	2.22	-92.04
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=N[N-]N=N1	REAL300019756329	0	34	-2.0	-101.09	299.86	3.47	-97.62
CC(CN(C)C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=NN=N[N-]1	REAL300019756329	1	34	-2.0	-101.09	299.92	3.48	-97.61
CC(CN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=N[N-]N=N1	REAL300019756360	0	37	-2.0	-79.23	312.12	1.07	-78.16
CC(CN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=NN=N[N-]1	REAL300019756360	1	37	-2.0	-79.24	312.17	1.09	-78.15
COC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)NC(=O)[N-]C1=O	REAL300019756470	1	35	-2.0	-83.58	307.08	-3.38	-86.96
CC(CN(C)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019756509	1	33	-2.0	-81.43	297.86	1.72	-79.71
CC(CN(C)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019756509	1	33	-2.0	-81.45	297.92	1.73	-79.72
CC(CN(C)C(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=N[N-]N=N1	REAL300019756606	1	34	-2.0	-90.18	312.12	5.10	-85.08
CC(CN(C)C(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=NN=N[N-]1	REAL300019756606	1	34	-2.0	-90.21	312.18	5.12	-85.09
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)CC(C)C3=N[N-]N=N3)=N2)=C1	REAL300019756751	0	42	-2.0	-118.11	356.25	4.56	-113.55
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)CC(C)C3=NN=N[N-]3)=N2)=C1	REAL300019756751	1	42	-2.0	-118.12	356.31	4.58	-113.54
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)CC(C)C3=N[N-]N=N3)=N2)=C1	REAL300019756762	0	48	-2.0	-108.43	391.32	5.82	-102.61
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)CC(C)C3=NN=N[N-]3)=N2)=C1	REAL300019756762	1	48	-2.0	-108.41	391.37	5.83	-102.58
CC(CN(C)C(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019757028	0	34	-2.0	-93.01	304.44	1.37	-91.64
CC(CN(C)C(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019757028	1	34	-2.0	-93.02	304.50	1.39	-91.63
CC(CN(C)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019757071	0	39	-2.0	-106.29	337.47	3.97	-102.32
CC(CN(C)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019757071	1	39	-2.0	-106.31	337.52	3.98	-102.33
CC(CN(C)C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL300019757102	1	37	-2.0	-107.11	310.59	5.10	-102.01
CC(CN(C)C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL300019757102	1	37	-2.0	-107.10	310.64	5.12	-101.98
CC(CN(C)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019757251	0	42	-2.0	-111.11	349.03	4.79	-106.32
CC(CN(C)C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019757251	1	42	-2.0	-111.11	349.09	4.80	-106.31
CC(CN(C)C(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019757252	0	39	-2.0	-106.01	347.79	4.43	-101.58
CC(CN(C)C(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019757252	1	39	-2.0	-106.03	347.84	4.44	-101.59
CC(CN(C)C(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300019757253	0	39	-2.0	-106.68	340.83	3.94	-102.74
CC(CN(C)C(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300019757253	1	39	-2.0	-106.62	340.88	3.96	-102.66
CC(CN(C)C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019757439	0	39	-2.0	-114.21	331.40	3.92	-110.29
CC(CN(C)C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019757439	1	39	-2.0	-114.20	331.46	3.94	-110.26
CC(CN(C)C(=O)C1=C([O-])C=NC2=C(Br)C=CC=C21)C1=N[N-]N=N1	REAL300019757452	1	37	-2.0	-92.76	337.04	3.25	-89.51
CC(CN(C)C(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=N[N-]N=N1	REAL300019757524	0	37	-2.0	-102.00	324.44	-2.21	-104.21
CC(CN(C)C(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=NN=N[N-]1	REAL300019757524	1	37	-2.0	-102.04	324.50	-2.19	-104.23
CC(CN(C)C(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=N[N-]N=N1	REAL300019757630	0	35	-2.0	-99.22	310.03	3.41	-95.81
CC(CN(C)C(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=NN=N[N-]1	REAL300019757630	1	35	-2.0	-99.18	310.09	3.43	-95.75
CC(CN(C)C(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=N[N-]N=N1	REAL300019757633	0	37	-2.0	-84.60	320.63	1.73	-82.87
CC(CN(C)C(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=NN=N[N-]1	REAL300019757633	1	37	-2.0	-84.62	320.69	1.75	-82.87
CC(CN(C)C(=O)C1=CN=C(I)C([O-])=C1)C1=N[N-]N=N1	REAL300019757680	0	31	-2.0	-78.62	291.53	1.19	-77.43
CC(CN(C)C(=O)C1=CN=C(I)C([O-])=C1)C1=NN=N[N-]1	REAL300019757680	1	31	-2.0	-78.62	291.59	1.20	-77.42
CC(CN(C)C(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300019757706	0	34	-2.0	-102.58	314.43	4.89	-97.69
CC(CN(C)C(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300019757706	1	34	-2.0	-102.58	314.48	4.90	-97.68
CC(CN(C)C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019757729	1	37	-2.0	-111.42	312.84	3.22	-108.20
CC(CN(C)C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019757729	1	37	-2.0	-111.43	312.89	3.23	-108.20
CC(CN(C)C(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019758072	0	35	-2.0	-105.34	316.69	-0.45	-105.79
CC(CN(C)C(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019758072	1	35	-2.0	-105.33	316.75	-0.43	-105.76
CC(CN(C)C(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019758076	0	38	-2.0	-92.14	337.71	0.05	-92.09
CC(CN(C)C(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019758076	1	38	-2.0	-92.15	337.77	0.07	-92.08
CC(CN(C)C(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL300019758079	1	39	-2.0	-108.52	324.82	2.73	-105.79
CC(CN(C)C(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL300019758079	1	39	-2.0	-108.56	324.88	2.74	-105.82
CC(CN(C)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300019758135	0	38	-2.0	-91.96	332.73	0.15	-91.81
CC(CN(C)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300019758135	1	38	-2.0	-91.99	332.67	0.13	-91.86
COC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019759225	0	38	-2.0	-85.58	326.63	3.59	-81.99
COC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019759225	1	38	-2.0	-85.55	326.68	3.61	-81.94
CC(CN(C)C(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=N[N-]N=N1	REAL300019759226	0	32	-2.0	-99.83	294.16	3.32	-96.51
CC(CN(C)C(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=NN=N[N-]1	REAL300019759226	1	32	-2.0	-99.81	294.22	3.33	-96.48
COC(=O)C1=CC2=C(C=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)O2)[N-]1	REAL300019759374	1	38	-2.0	-81.29	332.02	2.78	-78.51
COC(=O)C1=CC2=C(C=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)O2)[N-]1	REAL300019759374	1	38	-2.0	-81.33	332.08	2.79	-78.54
COCC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(=O)[N-]1	REAL300019759674	1	37	-2.0	-98.75	321.36	-0.83	-99.58
COCC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(=O)[N-]1	REAL300019759674	1	37	-2.0	-98.73	321.42	-0.81	-99.54
CC1=CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019759803	0	37	-2.0	-84.65	317.38	4.50	-80.15
CC1=CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019759803	1	37	-2.0	-84.68	317.44	4.52	-80.16
CC1=CC([O-])=C(Cl)C=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019759820	0	35	-2.0	-82.78	304.88	3.13	-79.65
CC1=CC([O-])=C(Cl)C=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019759820	1	35	-2.0	-82.79	304.94	3.15	-79.64
NC1=NC([O-])=C(CC(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)S1	REAL300019762263	0	34	-2.0	-118.07	343.31	-1.05	-119.12
NC1=NC([O-])=C(CC(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)S1	REAL300019762263	1	34	-2.0	-118.10	343.37	-1.04	-119.14
O=C(CCN1C=C[N-]C(=O)C1=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019762320	1	38	-2.0	-98.91	363.66	2.11	-96.80
O=C(CCN1C=C[N-]C(=O)C1=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762320	1	38	-2.0	-98.88	363.72	2.12	-96.76
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC(=O)N[N-]1	REAL300019762428	0	30	-2.0	-90.60	302.04	-0.09	-90.69
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC(=O)N[N-]1	REAL300019762428	1	30	-2.0	-90.61	301.98	-0.09	-90.70
CCN1[N-]C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)=CC1=O	REAL300019762580	0	36	-2.0	-94.95	346.58	2.57	-92.38
CCN1[N-]C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)=CC1=O	REAL300019762580	1	36	-2.0	-94.94	346.52	2.55	-92.39
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C(F)F	REAL300019762676	0	28	-2.0	-97.37	298.85	1.92	-95.45
O=C([N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C(F)F	REAL300019762676	1	28	-2.0	-97.35	298.90	1.93	-95.42
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019762741	0	35	-2.0	-85.09	347.22	4.09	-81.00
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019762741	1	35	-2.0	-85.06	347.17	4.08	-80.98
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=NNC(=O)[N-]C1=O	REAL300019762792	0	31	-2.0	-93.70	313.62	-2.16	-95.86
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=NNC(=O)[N-]C1=O	REAL300019762792	1	31	-2.0	-93.71	313.56	-2.18	-95.89
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019762813	0	35	-2.0	-111.22	342.89	6.32	-104.90
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019762813	1	35	-2.0	-111.20	342.83	6.30	-104.90
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019762848	0	35	-2.0	-96.14	345.07	5.72	-90.42
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019762848	1	35	-2.0	-96.12	345.02	5.70	-90.42
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=C([O-])C=CC=C1Cl	REAL300019762856	1	33	-2.0	-112.91	338.27	3.77	-109.14
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=C([O-])C=CC=C1Cl	REAL300019762856	1	33	-2.0	-112.90	338.22	3.76	-109.14
CC1=CC=CC=C1C(F)(F)C(=O)[N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019762870	1	38	-2.0	-110.47	357.98	4.93	-105.54
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1(O)CCC1	REAL300019762916	1	36	-2.0	-110.29	340.49	0.26	-110.03
CC1=CC=C(C(F)(F)C(=O)[N-]C(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C=C1	REAL300019762948	1	38	-2.0	-108.97	365.34	5.23	-103.74
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019762984	0	33	-2.0	-107.38	332.91	5.59	-101.79
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019762984	1	33	-2.0	-107.39	332.85	5.57	-101.82
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([O-])C=C1F	REAL300019763009	1	33	-2.0	-91.28	323.56	3.54	-87.74
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([O-])C=C1F	REAL300019763009	1	33	-2.0	-91.26	323.50	3.52	-87.74
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1=CC=CC=C1F	REAL300019763062	0	35	-2.0	-114.25	348.58	4.54	-109.71
O=C([N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1=CC=CC=C1F	REAL300019763062	1	35	-2.0	-114.20	348.64	4.56	-109.64
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([O-])C(F)=C1	REAL300019763067	1	33	-2.0	-90.52	325.23	3.54	-86.98
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([O-])C(F)=C1	REAL300019763067	1	33	-2.0	-90.52	325.17	3.52	-87.00
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=NC=CC=C1[O-]	REAL300019763077	1	32	-2.0	-110.32	314.08	3.35	-106.97
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=NC=CC=C1[O-]	REAL300019763077	1	32	-2.0	-110.30	314.03	3.34	-106.96
CC(C)(O)C(F)(F)C(=O)[N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019763089	1	35	-2.0	-98.89	329.10	0.92	-97.97
CC1=CN=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C([O-])=C1	REAL300019763090	1	35	-2.0	-112.11	335.53	3.99	-108.12
CC1=CN=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C([O-])=C1	REAL300019763090	1	35	-2.0	-112.17	335.48	3.97	-108.20
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019763117	0	35	-2.0	-89.74	345.00	5.27	-84.47
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019763117	1	35	-2.0	-89.72	344.94	5.26	-84.46
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019763123	0	33	-2.0	-89.81	331.42	3.60	-86.21
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019763123	1	33	-2.0	-89.78	331.36	3.59	-86.19
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019763146	0	35	-2.0	-100.08	345.04	5.73	-94.35
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019763146	1	35	-2.0	-100.10	344.98	5.71	-94.39
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1(O)CCCC1	REAL300019763159	1	39	-2.0	-105.94	353.93	1.13	-104.81
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1CCOCC1	REAL300019763162	1	39	-2.0	-107.21	353.69	2.42	-104.79
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1=NC=CS1	REAL300019763165	0	31	-2.0	-115.79	329.33	1.89	-113.90
O=C([N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1=NC=CS1	REAL300019763165	1	31	-2.0	-115.76	329.38	1.90	-113.86
N#CC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C=C1[O-]	REAL300019763199	1	34	-2.0	-89.21	339.20	3.89	-85.32
N#CC1=CC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C=C1[O-]	REAL300019763199	1	34	-2.0	-89.24	339.14	3.87	-85.37
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=C([O-])C=CC=C1F	REAL300019763225	1	33	-2.0	-102.93	328.78	3.40	-99.53
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=C([O-])C=CC=C1F	REAL300019763225	1	33	-2.0	-102.94	328.72	3.38	-99.56
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300019763235	1	34	-2.0	-85.10	339.24	2.94	-82.16
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300019763235	1	34	-2.0	-85.10	339.18	2.93	-82.17
N#CC1=CC([O-])=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)=C1	REAL300019763251	1	34	-2.0	-86.75	339.87	3.81	-82.94
N#CC1=CC([O-])=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)=C1	REAL300019763251	1	34	-2.0	-86.80	339.81	3.80	-83.00
O=C(CSC1=NNC(=O)[N-]1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019763260	0	33	-2.0	-89.02	338.96	-0.27	-89.29
O=C(CSC1=NNC(=O)[N-]1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763260	1	33	-2.0	-89.05	339.02	-0.26	-89.31
CC1=CC=CN=C1C(F)(F)C(=O)[N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019763349	0	37	-2.0	-121.06	353.19	3.92	-117.14
CC1=CC=CN=C1C(F)(F)C(=O)[N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763349	1	37	-2.0	-121.02	353.25	3.94	-117.08
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019763382	1	35	-2.0	-87.74	339.35	3.30	-84.44
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019763382	1	35	-2.0	-87.75	339.29	3.29	-84.46
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC([O-])=CS1	REAL300019763445	0	30	-2.0	-96.21	311.29	2.39	-93.82
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC([O-])=CS1	REAL300019763445	1	30	-2.0	-96.23	311.23	2.37	-93.86
CN1[N-]C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)=CC1=O	REAL300019763520	0	33	-2.0	-93.80	324.85	1.64	-92.16
CN1[N-]C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)=CC1=O	REAL300019763520	1	33	-2.0	-93.85	324.79	1.62	-92.23
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019763522	1	38	-2.0	-118.13	359.35	5.69	-112.44
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019763522	1	38	-2.0	-118.15	359.29	5.67	-112.48
CC(F)(F)C(=O)[N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019763640	0	28	-2.0	-102.81	286.20	1.65	-101.16
CC(F)(F)C(=O)[N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763640	1	28	-2.0	-102.76	286.26	1.66	-101.10
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019763689	0	38	-2.0	-95.84	361.87	2.98	-92.86
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019763689	1	38	-2.0	-95.82	361.81	2.96	-92.86
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019763902	1	38	-2.0	-121.19	357.65	5.53	-115.66
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019763902	1	38	-2.0	-121.16	357.59	5.51	-115.65
O=C(CCCC1=N[N-]N=N1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763915	0	36	-2.0	-94.20	344.17	2.37	-91.83
O=C(CCCC1=N[N-]N=N1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019763915	1	36	-2.0	-94.16	344.12	2.36	-91.80
O=C(CCCC1=NN=N[N-]1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763915	1	36	-2.0	-94.16	344.23	2.39	-91.77
O=C(CCCC1=NN=N[N-]1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019763915	1	36	-2.0	-94.15	344.17	2.37	-91.78
O=C(CCC1=N[N-]N=N1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763931	0	33	-2.0	-87.01	322.70	1.59	-85.42
O=C(CCC1=N[N-]N=N1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019763931	1	33	-2.0	-87.01	322.64	1.58	-85.43
O=C(CCC1=NN=N[N-]1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763931	1	33	-2.0	-87.01	322.76	1.61	-85.40
O=C(CCC1=NN=N[N-]1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019763931	1	33	-2.0	-87.02	322.70	1.59	-85.43
CCC(F)(F)C(=O)[N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764120	0	31	-2.0	-104.07	306.11	2.36	-101.71
CCC(F)(F)C(=O)[N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764120	1	31	-2.0	-104.05	306.17	2.38	-101.67
O=C(CCCN1C(=O)[N-]NC1=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764154	0	39	-2.0	-94.41	370.22	0.69	-93.72
O=C(CCCN1C(=O)[N-]NC1=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764154	1	39	-2.0	-94.37	370.28	0.71	-93.66
CN1N=NC=C1C(F)(F)C(=O)[N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019765226	0	34	-2.0	-99.35	338.98	0.83	-98.52
CN1N=NC=C1C(F)(F)C(=O)[N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019765226	1	34	-2.0	-99.31	339.03	0.85	-98.46
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)CCN1C=CC=N1	REAL300019765258	1	38	-2.0	-110.66	368.50	3.35	-107.31
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1=CN=CC=N1	REAL300019765268	0	33	-2.0	-113.54	332.56	1.54	-112.00
O=C([N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1=CN=CC=N1	REAL300019765268	1	33	-2.0	-113.51	332.62	1.55	-111.96
[N-]=[N+]=NC1=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)=CC=C1[O-]	REAL300019765484	0	35	-2.0	-88.13	346.77	1.31	-86.82
[N-]=[N+]=NC1=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)=CC=C1[O-]	REAL300019765484	1	35	-2.0	-88.14	346.71	1.30	-86.84
CN1C=C(C(F)(F)C(=O)[N-]C(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C=N1	REAL300019765536	0	35	-2.0	-111.94	348.41	2.35	-109.59
CN1C=C(C(F)(F)C(=O)[N-]C(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C=N1	REAL300019765536	1	35	-2.0	-111.91	348.47	2.36	-109.55
O=C([N-]N1CC2=CC=CC=C2C1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019765935	0	33	-2.0	-98.96	305.01	1.77	-97.19
O=C([N-]N1CC2=CC=CC=C2C1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019765935	1	33	-2.0	-98.97	305.08	1.78	-97.19
CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCC1=N[N-]N=N1	REAL300019766162	0	34	-2.0	-103.80	315.92	-3.55	-107.35
CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCC1=NN=N[N-]1	REAL300019766162	1	34	-2.0	-103.81	315.98	-3.53	-107.34
CS(=O)(=O)[N-]C(=O)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019766163	0	37	-2.0	-112.43	340.67	-0.67	-113.10
CS(=O)(=O)[N-]C(=O)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019766163	1	37	-2.0	-112.31	340.74	-0.65	-112.96
CS(=O)(=O)[N-]C(=O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019766164	0	34	-2.0	-87.94	326.51	-3.76	-91.70
CS(=O)(=O)[N-]C(=O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019766164	1	34	-2.0	-87.92	326.58	-3.74	-91.66
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCCC3=CC=CC=C32)S1	REAL300019766273	0	43	-2.0	-102.22	373.03	5.58	-96.64
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCCC3=CC=CC=C32)S1	REAL300019766273	1	43	-2.0	-102.24	373.08	5.60	-96.64
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019766674	0	38	-2.0	-91.54	340.50	0.13	-91.41
CCOC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(Cl)=C1[O-]	REAL300019766723	1	38	-2.0	-84.01	347.15	2.59	-81.42
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019766999	0	38	-2.0	-85.32	346.91	0.20	-85.12
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=C([N-]C=NC2=O)O1	REAL300019767123	0	35	-2.0	-91.38	323.30	-1.44	-92.82
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019767477	1	41	-2.0	-91.83	361.89	0.81	-91.02
CSC1=NC(C)=C(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[N-]1	REAL300019767494	1	42	-2.0	-92.70	374.42	1.12	-91.58
CN1C(=O)C2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2[N-]C1=S	REAL300019767594	0	39	-2.0	-82.84	353.54	3.42	-79.42
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019767658	0	39	-2.0	-92.25	357.49	3.87	-88.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019767748	1	37	-2.0	-102.38	323.99	4.76	-97.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Br)=CC=C1[O-]	REAL300019767751	1	31	-2.0	-90.98	299.25	3.12	-87.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019767752	0	31	-2.0	-91.01	294.69	3.01	-88.00
COC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C([O-])=C1	REAL300019767760	1	35	-2.0	-108.08	307.36	1.81	-106.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019767761	0	31	-2.0	-100.84	294.70	3.01	-97.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019767762	0	31	-2.0	-79.92	296.11	1.55	-78.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019767768	1	37	-2.0	-100.04	323.17	4.84	-95.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019767770	0	33	-2.0	-81.19	306.11	2.77	-78.42
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019767883	1	35	-2.0	-81.00	332.95	-3.17	-84.17
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C[N-]C2=CC=CC=C2C1=O	REAL300019767909	0	36	-2.0	-83.35	318.55	2.74	-80.61
CC(=O)[N-]C1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300019767912	1	33	-2.0	-76.33	313.27	-0.97	-77.30
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019767948	0	38	-2.0	-84.61	338.31	-1.70	-86.31
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300019768091	1	42	-2.0	-102.15	374.96	1.23	-100.92
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019768189	1	30	-2.0	-75.83	287.95	2.03	-73.80
CN1C2=NC(CCC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=NC2=C([O-])NC1=O	REAL300019768437	0	42	-2.0	-80.35	371.33	-0.93	-81.28
CN1C2=C(N=C(CCC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)[N-]2)C(=O)NC1=O	REAL300019768437	1	42	-2.0	-80.55	371.47	-0.18	-80.73
CN1C2=C([N-]C(CCC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=N2)C(=O)NC1=O	REAL300019768437	1	42	-2.0	-80.62	371.17	-0.27	-80.89
NC1=NC([O-])=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300019768449	0	32	-2.0	-104.25	304.74	-3.51	-107.76
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019768553	1	41	-2.0	-92.80	362.24	1.01	-91.79
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019768616	1	36	-2.0	-93.33	325.05	-0.35	-93.68
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019768772	1	42	-2.0	-114.62	360.99	0.93	-113.69
O=C(CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[N-]C1=NN=C(C2CC2)O1	REAL300019768792	0	42	-2.0	-90.48	374.29	-3.30	-93.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=N[N-]C2=CC=CC=C2C1=O	REAL300019768906	0	35	-2.0	-92.67	316.70	2.71	-89.96
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019768924	0	35	-2.0	-97.24	322.64	-0.07	-97.31
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769087	1	40	-2.0	-103.48	356.29	0.04	-103.44
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC2=O)C=C1	REAL300019769259	0	41	-2.0	-89.56	360.91	3.41	-86.15
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019769285	0	33	-2.0	-85.40	313.41	0.37	-85.03
CCN1[N-]C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC1=O	REAL300019769297	0	34	-2.0	-82.52	307.66	0.12	-82.40
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019769392	0	39	-2.0	-86.76	344.86	0.70	-86.06
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300019769393	1	44	-2.0	-84.18	364.88	1.61	-82.57
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[N-]C(C(C)C)=N1	REAL300019769394	1	41	-2.0	-83.02	345.27	1.02	-82.00
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=N2)C=C1	REAL300019769396	0	42	-2.0	-100.62	370.35	1.58	-99.04
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019769397	0	38	-2.0	-97.24	347.28	2.35	-94.89
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC2=O)=N1	REAL300019769398	0	42	-2.0	-97.57	376.70	3.80	-93.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019769399	0	38	-2.0	-104.73	345.38	2.43	-102.30
CC1=CC(F)=CC2=C1[N-]C=C(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2=O	REAL300019769400	0	39	-2.0	-79.59	344.93	3.67	-75.92
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769491	0	30	-2.0	-83.13	318.94	0.93	-82.20
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300019769525	0	41	-2.0	-98.13	368.30	3.32	-94.81
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019769722	0	33	-2.0	-76.41	308.33	1.63	-74.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC(=O)[N-]C1=O	REAL300019769813	0	29	-2.0	-84.20	274.97	-4.71	-88.91
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(Br)=C1[O-]	REAL300019769827	0	31	-2.0	-93.66	298.66	3.13	-90.53
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019769842	0	33	-2.0	-100.96	303.97	3.75	-97.21
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CO1	REAL300019769893	1	35	-2.0	-88.20	332.08	-3.19	-91.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(O)C=C1[O-]	REAL300019769908	1	32	-2.0	-105.33	288.94	-0.34	-105.67
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(F)=CC=C1[O-]	REAL300019769909	1	31	-2.0	-90.34	284.37	2.55	-87.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019769910	0	33	-2.0	-83.37	306.13	3.16	-80.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Br)C=C1[O-]	REAL300019769911	0	31	-2.0	-100.63	299.26	3.12	-97.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019769914	0	37	-2.0	-100.34	337.45	5.25	-95.09
CC(C)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C([O-])=C1	REAL300019769917	1	40	-2.0	-107.77	338.10	4.41	-103.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C=CC=C1Cl	REAL300019769926	0	31	-2.0	-89.68	299.62	1.30	-88.38
CC1=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300019770023	1	31	-2.0	-97.35	284.28	-1.86	-99.21
CC1=C([O-])C(C(=O)NC2=CC=C(N3[N-]N=NC3=O)C=C2)=NN1	REAL300019770023	1	31	-2.0	-97.30	284.23	-1.76	-99.06
CS(=O)(=O)NC1=CC=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019770053	1	39	-2.0	-98.56	351.55	-0.81	-99.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019770173	0	31	-2.0	-94.69	294.27	3.03	-91.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019770221	1	34	-2.0	-99.27	316.65	3.49	-95.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C([O-])C=C1F	REAL300019770225	1	31	-2.0	-88.35	284.66	1.07	-87.28
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C([O-])C(F)=C1	REAL300019770400	1	31	-2.0	-83.06	286.31	1.06	-82.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019770426	0	36	-2.0	-82.37	342.54	-0.74	-83.11
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019770427	0	35	-2.0	-82.89	316.67	1.03	-81.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019770428	0	31	-2.0	-80.94	302.31	1.62	-79.32
CC1=CN=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C([O-])=C1	REAL300019770438	0	33	-2.0	-95.61	296.62	1.42	-94.19
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019770450	0	39	-2.0	-84.81	343.16	-0.23	-85.04
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019770494	0	33	-2.0	-84.96	306.08	2.79	-82.17
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019770497	0	31	-2.0	-87.72	297.25	1.17	-86.55
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019770504	0	31	-2.0	-87.44	292.53	1.13	-86.31
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019770541	0	33	-2.0	-97.50	306.14	3.16	-94.34
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019770574	0	36	-2.0	-75.53	325.58	-1.11	-76.64
N#CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1[O-]	REAL300019770663	0	32	-2.0	-79.99	300.27	1.41	-78.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C=CC=C1F	REAL300019770722	0	31	-2.0	-90.02	290.13	0.93	-89.09
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019770773	1	32	-2.0	-77.34	300.97	1.34	-76.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1	REAL300019770778	0	39	-2.0	-86.87	345.17	5.48	-81.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1	REAL300019770778	1	39	-2.0	-86.83	345.12	5.50	-81.33
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019770802	0	31	-2.0	-85.01	300.12	-2.72	-87.73
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C[N-]C2=C(F)C=C(F)C=C2C1=O	REAL300019770803	0	36	-2.0	-76.93	331.15	2.91	-74.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019770842	1	33	-2.0	-92.82	313.14	3.87	-88.95
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=N2)=C1	REAL300019770995	0	41	-2.0	-105.27	365.62	2.93	-102.34
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019771047	1	33	-2.0	-81.67	300.95	0.85	-80.82
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(F)C=CC([O-])=C1F	REAL300019771130	1	31	-2.0	-84.81	296.49	0.91	-83.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC([O-])=CS1	REAL300019771207	0	28	-2.0	-87.75	272.64	-0.10	-87.85
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=N[N-]C([N+](=O)[O-])=C1	REAL300019771283	0	29	-2.0	-72.42	282.86	1.02	-71.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC([N+](=O)[O-])=N[N-]1	REAL300019771283	1	29	-2.0	-72.36	282.96	1.02	-71.34
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019771284	0	33	-2.0	-87.75	313.18	0.37	-87.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019771325	0	38	-2.0	-99.53	347.56	2.34	-97.19
CN1[N-]C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC1=O	REAL300019771362	0	31	-2.0	-81.62	285.93	-0.82	-82.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019771364	0	36	-2.0	-99.99	320.44	3.13	-96.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019771556	0	38	-2.0	-99.29	357.88	2.79	-96.50
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019771557	0	38	-2.0	-99.77	350.63	2.32	-97.45
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019771682	0	36	-2.0	-87.31	323.23	0.49	-86.82
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019771789	0	38	-2.0	-101.74	340.88	2.28	-99.46
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019771894	0	36	-2.0	-96.17	332.14	-2.56	-98.73
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019772011	0	34	-2.0	-94.93	315.41	3.52	-91.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019772015	0	36	-2.0	-90.88	329.37	0.74	-90.14
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C[N-]C2=C(F)C(F)=CC=C2C1=O	REAL300019772081	0	36	-2.0	-78.39	330.94	2.88	-75.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019772102	0	33	-2.0	-91.90	320.96	4.27	-87.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019772133	1	36	-2.0	-106.16	319.01	2.98	-103.18
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772159	0	34	-2.0	-96.24	305.55	-0.10	-96.34
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772159	1	34	-2.0	-96.25	305.60	-0.08	-96.33
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772192	0	31	-2.0	-85.31	284.03	-0.88	-86.19
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772192	1	31	-2.0	-85.31	284.08	-0.87	-86.18
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=S)[N-]C(=O)N1	REAL300019773221	1	33	-2.0	-84.00	305.26	-1.10	-85.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(Br)C(=O)[N-]C=N1	REAL300019773223	0	29	-2.0	-79.20	287.46	-0.62	-79.82
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019773322	0	31	-2.0	-76.86	305.52	-2.50	-79.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC([O-])=C1F	REAL300019773333	1	31	-2.0	-95.75	284.78	1.04	-94.71
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=C1C(=O)N=C[N-]2	REAL300019773335	1	35	-2.0	-94.86	314.28	2.08	-92.78
CC1=CC=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1[O-]	REAL300019773360	1	33	-2.0	-94.43	295.78	1.48	-92.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=C(Br)C=C1[O-]	REAL300019773371	0	30	-2.0	-88.01	296.78	1.38	-86.63
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)O1	REAL300019773525	0	40	-2.0	-102.60	361.62	4.65	-97.95
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773560	0	35	-2.0	-81.96	347.83	1.25	-80.71
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019773577	0	31	-2.0	-88.04	310.98	3.54	-84.50
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019773586	0	36	-2.0	-90.80	321.69	2.96	-87.84
CC(C)CN1[N-]C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC1=O	REAL300019773683	0	43	-2.0	-101.31	368.50	2.33	-98.98
COC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019773751	0	37	-2.0	-84.02	335.27	2.61	-81.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019773752	0	31	-2.0	-95.40	300.60	3.06	-92.34
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C([O-])=C1	REAL300019773790	1	31	-2.0	-83.33	286.34	1.04	-82.29
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019773793	0	31	-2.0	-79.90	296.15	1.51	-78.39
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)O2)[N-]1	REAL300019773912	1	37	-2.0	-78.40	341.56	1.32	-77.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C[N-]C2=CC(F)=C(F)C=C2C1=O	REAL300019773933	0	36	-2.0	-74.08	331.23	2.86	-71.22
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(F)=C1[O-]	REAL300019773943	0	31	-2.0	-99.71	284.46	2.56	-97.15
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019773966	0	31	-2.0	-90.87	290.87	2.62	-88.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=N[N-]C([N+](=O)[O-])=C1Cl	REAL300019773980	1	29	-2.0	-74.90	295.38	1.47	-73.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(Cl)C([N+](=O)[O-])=N[N-]1	REAL300019773980	1	29	-2.0	-74.81	295.56	1.48	-73.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C=CC2=CC=CC=C21	REAL300019774012	1	37	-2.0	-96.27	328.79	3.09	-93.18
COC(=O)C1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[N-]N=C1C	REAL300019774028	1	36	-2.0	-86.59	329.43	0.56	-86.03
COC(=O)C1=C(C)[N-]N=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019774028	1	36	-2.0	-86.96	329.94	0.71	-86.25
CCOC(=O)C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N[N-]1	REAL300019774077	0	36	-2.0	-79.55	331.23	0.83	-78.72
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019774077	1	36	-2.0	-79.51	331.26	0.82	-78.69
COCC1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[N-]1	REAL300019774210	1	36	-2.0	-83.33	321.38	-1.77	-85.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300019774279	1	39	-2.0	-83.20	335.19	1.12	-82.08
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019774349	0	36	-2.0	-80.91	326.13	3.51	-77.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C([O-])=C1F	REAL300019774354	0	31	-2.0	-95.40	290.98	1.11	-94.29
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019774368	0	34	-2.0	-80.18	312.40	2.22	-77.96
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N[N-]1	REAL300019774400	0	42	-2.0	-80.95	363.97	1.95	-79.00
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019774400	1	42	-2.0	-80.90	364.00	1.96	-78.94
N#CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[N-]1	REAL300019774534	0	31	-2.0	-77.17	293.20	-0.51	-77.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C(=N[N-]1)N=CNC2=O	REAL300019774605	1	32	-2.0	-91.41	295.25	0.56	-90.85
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=N[N-]C2=C1C(=O)NC=N2	REAL300019774605	1	32	-2.0	-92.31	296.20	0.53	-91.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C(C2CCOCC2)[N-]C1=O	REAL300019774810	1	43	-2.0	-82.88	361.68	-0.12	-83.00
O=C([N-]C1=NC=CN1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019774884	1	31	-2.0	-86.89	288.80	-0.25	-87.14
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019774898	1	30	-2.0	-80.54	286.62	1.59	-78.95
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019774922	0	39	-2.0	-112.34	348.69	-1.60	-113.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C(Cl)[N-]1	REAL300019774988	0	27	-2.0	-75.16	269.27	-0.12	-75.28
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C[N-]C(Cl)=N1	REAL300019774988	1	27	-2.0	-75.25	269.28	-0.12	-75.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019775094	1	35	-2.0	-82.76	321.59	-1.74	-84.50
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)=C2	REAL300019775153	1	37	-2.0	-88.16	341.79	1.39	-86.77
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300019776280	0	33	-2.0	-104.33	327.79	4.14	-100.19
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300019776280	1	33	-2.0	-104.37	327.84	4.15	-100.22
O=C(CCCC1=N[N-]N=N1)NC1=NC(Br)=CC=C1[O-]	REAL300019776336	1	28	-2.0	-89.93	277.04	1.56	-88.37
O=C(CCCC1=NN=N[N-]1)NC1=NC(Br)=CC=C1[O-]	REAL300019776336	1	28	-2.0	-89.94	277.09	1.58	-88.36
O=C(NC1=NC(Br)=CC=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019776337	1	31	-2.0	-99.08	301.39	4.47	-94.61
O=C(NC1=NC(Br)=CC=C1[O-])C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019776337	1	31	-2.0	-98.92	301.49	4.49	-94.43
O=C(NC1=NC(Br)=CC=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019776338	1	28	-2.0	-81.75	287.60	1.36	-80.39
O=C(NC1=NC(Br)=CC=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019776338	1	28	-2.0	-81.73	287.67	1.36	-80.37
O=C([N-]NC(=O)NCC1=CC=C(Cl)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019776399	0	37	-2.0	-81.57	357.15	1.34	-80.23
O=C([N-]NC(=O)NCC1=CC=C(Cl)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019776399	1	37	-2.0	-81.53	357.22	1.34	-80.19
O=C(CCCC1=N[N-]N=N1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	REAL300019776500	0	44	-2.0	-83.52	388.60	-0.84	-84.36
O=C(CCCC1=NN=N[N-]1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	REAL300019776500	1	44	-2.0	-83.47	388.66	-0.82	-84.29
CCOC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300019776812	1	38	-2.0	-97.96	334.25	3.39	-94.57
CCOC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300019776812	1	38	-2.0	-97.96	334.32	3.39	-94.57
CSC1=NC(C)=C(CCC(=O)N2CCSCC2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019777521	1	42	-2.0	-107.70	364.99	2.34	-105.36
CSC1=NC(C)=C(CCC(=O)N2CCSCC2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019777521	1	42	-2.0	-107.72	365.06	2.33	-105.39
CN1C(=O)C2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019777600	0	39	-2.0	-97.24	340.76	4.18	-93.06
CN1C(=O)C2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019777600	1	39	-2.0	-97.21	340.83	4.18	-93.03
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCSCC1C1=N[N-]N=N1	REAL300019777610	1	37	-2.0	-118.08	346.34	5.58	-112.50
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCSCC1C1=NN=N[N-]1	REAL300019777610	1	37	-2.0	-118.10	346.41	5.58	-112.52
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCSCC1C1=N[N-]N=N1	REAL300019777636	0	39	-2.0	-116.51	348.33	5.03	-111.48
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCSCC1C1=NN=N[N-]1	REAL300019777636	1	39	-2.0	-116.52	348.40	5.01	-111.51
O=C(C1=CC(Br)=CC=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019777711	1	31	-2.0	-118.02	287.21	3.33	-114.69
O=C(C1=CC(Br)=CC=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019777711	1	31	-2.0	-117.99	287.28	3.34	-114.65
O=C(C1=CC(Cl)=CC=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019777712	1	31	-2.0	-117.97	282.66	3.22	-114.75
O=C(C1=CC(Cl)=CC=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019777712	1	31	-2.0	-117.95	282.73	3.23	-114.72
O=C(C1=CC=C(Cl)C=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019777721	1	31	-2.0	-120.52	282.61	3.24	-117.28
O=C(C1=CC=C(Cl)C=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019777721	1	31	-2.0	-120.51	282.68	3.24	-117.27
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019777722	0	31	-2.0	-96.02	283.07	2.30	-93.72
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019777722	1	31	-2.0	-96.09	283.14	2.31	-93.78
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019777728	1	37	-2.0	-130.30	310.89	5.07	-125.23
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019777728	1	37	-2.0	-130.30	310.83	5.07	-125.23
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019777730	0	33	-2.0	-90.51	293.34	3.54	-86.97
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019777730	1	33	-2.0	-90.48	293.41	3.54	-86.94
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019777880	0	38	-2.0	-90.20	325.47	-0.93	-91.13
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019777880	1	38	-2.0	-90.20	325.40	-0.94	-91.14
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCSCC1C1=N[N-]N=N1	REAL300019778437	1	36	-2.0	-103.75	315.62	0.86	-102.89
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCSCC1C1=NN=N[N-]1	REAL300019778437	1	36	-2.0	-103.76	315.69	0.85	-102.91
CC1=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019778457	0	43	-2.0	-131.60	372.18	1.56	-130.04
CC1=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019778457	1	43	-2.0	-131.70	372.25	1.56	-130.14
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019778565	1	42	-2.0	-122.68	351.55	2.15	-120.53
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019778565	1	42	-2.0	-122.65	351.62	2.14	-120.51
O=C(CCC(=O)N1CCSCC1C1=N[N-]N=N1)[N-]C1=NN=C(C2CC2)O1	REAL300019778578	0	42	-2.0	-105.07	365.13	-2.10	-107.17
O=C(CCC(=O)N1CCSCC1C1=NN=N[N-]1)[N-]C1=NN=C(C2CC2)O1	REAL300019778578	1	42	-2.0	-105.01	365.20	-2.12	-107.13
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019778801	1	40	-2.0	-122.44	347.13	1.23	-121.21
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019778801	1	40	-2.0	-122.52	347.20	1.23	-121.29
CC1=CC=C(N2[N-]C(C(=O)N3CCSCC3C3=N[N-]N=N3)=CC2=O)C=C1	REAL300019778929	0	41	-2.0	-105.57	348.54	4.85	-100.72
CC1=CC=C(N2[N-]C(C(=O)N3CCSCC3C3=NN=N[N-]3)=CC2=O)C=C1	REAL300019778929	1	41	-2.0	-105.62	348.61	4.86	-100.76
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019778947	0	33	-2.0	-97.14	300.34	1.13	-96.01
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019778947	1	33	-2.0	-97.16	300.41	1.14	-96.02
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019779030	0	39	-2.0	-115.07	345.56	1.39	-113.68
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019779030	1	39	-2.0	-115.07	345.50	1.39	-113.68
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCSCC3C3=N[N-]N=N3)=N2)C=C1	REAL300019779032	0	42	-2.0	-130.33	357.66	3.16	-127.17
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCSCC3C3=NN=N[N-]3)=N2)C=C1	REAL300019779032	1	42	-2.0	-130.37	357.72	3.18	-127.19
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019779033	0	38	-2.0	-126.58	334.59	3.93	-122.65
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019779033	1	38	-2.0	-126.57	334.65	3.94	-122.63
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCSCC3C3=N[N-]N=N3)=CC2=O)=N1	REAL300019779034	0	42	-2.0	-112.35	364.06	5.24	-107.11
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCSCC3C3=NN=N[N-]3)=CC2=O)=N1	REAL300019779034	1	42	-2.0	-112.28	364.12	5.24	-107.04
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019779035	0	38	-2.0	-133.89	332.23	3.80	-130.09
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019779035	1	38	-2.0	-133.84	332.30	3.81	-130.03
O=C(CSC1=N[N-]C(=S)S1)N1CCSCC1C1=N[N-]N=N1	REAL300019779110	0	30	-2.0	-87.99	309.51	2.18	-85.81
O=C(CSC1=N[N-]C(=S)S1)N1CCSCC1C1=NN=N[N-]1	REAL300019779110	1	30	-2.0	-88.04	309.58	2.17	-85.87
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019779135	0	41	-2.0	-127.59	354.84	4.87	-122.72
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019779135	1	41	-2.0	-127.63	354.89	4.89	-122.74
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCSCC3C3=N[N-]N=N3)=N2)C=C1	REAL300019779227	0	47	-2.0	-130.67	388.37	5.78	-124.89
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCSCC3C3=NN=N[N-]3)=N2)C=C1	REAL300019779227	1	47	-2.0	-130.67	388.43	5.81	-124.86
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019779280	0	33	-2.0	-88.80	295.07	2.37	-86.43
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019779280	1	33	-2.0	-88.84	295.14	2.37	-86.47
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCSCC2C2=N[N-]N=N2)S1	REAL300019779309	0	44	-2.0	-102.83	385.54	2.36	-100.47
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCSCC2C2=NN=N[N-]2)S1	REAL300019779309	1	44	-2.0	-102.87	385.61	2.36	-100.51
O=C(C1=NNC(=O)[N-]C1=O)N1CCSCC1C1=N[N-]N=N1	REAL300019779346	0	29	-2.0	-105.73	262.92	-3.33	-109.06
O=C(C1=NNC(=O)[N-]C1=O)N1CCSCC1C1=NN=N[N-]1	REAL300019779346	1	29	-2.0	-105.68	262.97	-3.31	-108.99
O=C(C1=CC=CC(Br)=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019779357	0	31	-2.0	-120.90	285.86	3.45	-117.45
O=C(C1=CC=CC(Br)=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019779357	1	31	-2.0	-120.93	285.93	3.45	-117.48
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019779370	0	33	-2.0	-128.44	291.49	4.20	-124.24
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019779370	1	33	-2.0	-128.41	291.57	4.21	-124.20
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019779428	0	33	-2.0	-107.05	294.09	3.38	-103.67
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019779428	1	33	-2.0	-107.05	294.16	3.39	-103.66
O=C(C1=CC=C(Br)C=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019779429	1	31	-2.0	-120.50	287.18	3.34	-117.16
O=C(C1=CC=C(Br)C=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019779429	1	31	-2.0	-120.50	287.25	3.34	-117.16
O=C(C1=CC=CC(Cl)=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019779627	0	31	-2.0	-122.26	281.52	3.32	-118.94
O=C(C1=CC=CC(Cl)=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019779627	1	31	-2.0	-122.25	281.58	3.34	-118.91
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019779665	1	34	-2.0	-118.71	304.61	3.73	-114.98
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019779665	1	34	-2.0	-118.66	304.67	3.73	-114.93
O=C(C1=CC=C([O-])C=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019779669	1	31	-2.0	-99.55	272.54	1.81	-97.74
O=C(C1=CC=C([O-])C=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019779669	1	31	-2.0	-99.58	272.61	1.81	-97.77
O=C(C1=CC=C([O-])C(F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019779815	1	31	-2.0	-99.42	273.26	1.82	-97.60
O=C(C1=CC=C([O-])C(F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019779815	1	31	-2.0	-99.44	273.32	1.83	-97.61
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019779834	0	36	-2.0	-91.12	330.00	0.00	-91.12
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019779834	1	36	-2.0	-91.10	330.08	0.01	-91.09
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019779835	0	35	-2.0	-90.83	306.10	1.87	-88.96
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019779835	1	35	-2.0	-90.85	306.16	1.88	-88.97
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019779836	0	31	-2.0	-94.73	289.35	2.42	-92.31
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019779836	1	31	-2.0	-94.69	289.40	2.42	-92.27
CC1=CN=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C([O-])=C1	REAL300019779842	1	33	-2.0	-124.30	287.21	2.51	-121.79
CC1=CN=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C([O-])=C1	REAL300019779842	1	33	-2.0	-124.31	287.27	2.52	-121.79
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019779853	0	39	-2.0	-98.91	329.62	0.76	-98.15
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019779853	1	39	-2.0	-98.91	329.68	0.79	-98.12
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019779871	0	42	-2.0	-120.87	361.35	0.71	-120.16
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019779871	1	42	-2.0	-120.88	361.42	0.72	-120.16
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019779892	0	33	-2.0	-98.62	293.27	3.57	-95.05
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019779892	1	33	-2.0	-98.60	293.35	3.57	-95.03
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019779894	0	31	-2.0	-104.51	284.86	1.92	-102.59
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019779894	1	31	-2.0	-104.52	284.93	1.91	-102.61
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019779900	0	31	-2.0	-96.13	279.61	1.90	-94.23
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019779900	1	31	-2.0	-96.13	279.67	1.91	-94.22
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019779930	0	33	-2.0	-115.73	293.60	3.46	-112.27
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019779930	1	33	-2.0	-115.74	293.67	3.47	-112.27
N#CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1[O-]	REAL300019780011	1	32	-2.0	-105.98	287.51	2.18	-103.80
N#CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1[O-]	REAL300019780011	1	32	-2.0	-106.00	287.58	2.19	-103.81
COC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)NC(=O)[N-]C1=O	REAL300019780026	1	34	-2.0	-92.58	303.99	-3.36	-95.94
O=C(C1=C([O-])C=CC=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019780053	0	31	-2.0	-114.49	280.92	2.10	-112.39
O=C(C1=C([O-])C=CC=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019780053	1	31	-2.0	-114.47	280.99	2.11	-112.36
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019780064	1	32	-2.0	-89.30	287.43	1.24	-88.06
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019780064	1	32	-2.0	-89.30	287.49	1.25	-88.05
N#CC1=CC([O-])=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019780091	1	32	-2.0	-88.95	288.01	2.14	-86.81
N#CC1=CC([O-])=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019780091	1	32	-2.0	-88.91	288.07	2.14	-86.77
O=C(CSC1=NNC(=O)[N-]1)N1CCSCC1C1=N[N-]N=N1	REAL300019780110	0	31	-2.0	-97.33	290.96	-1.48	-98.81
O=C(CSC1=NNC(=O)[N-]1)N1CCSCC1C1=NN=N[N-]1	REAL300019780110	1	31	-2.0	-97.38	291.03	-1.48	-98.86
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019780141	1	33	-2.0	-107.78	303.17	4.69	-103.09
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019780141	1	33	-2.0	-107.81	303.24	4.69	-103.12
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCSCC3C3=N[N-]N=N3)=N2)=C1	REAL300019780258	0	41	-2.0	-136.49	353.30	4.35	-132.14
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCSCC3C3=NN=N[N-]3)=N2)=C1	REAL300019780258	1	41	-2.0	-136.46	353.37	4.36	-132.10
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCSCC3C3=N[N-]N=N3)=N2)=C1	REAL300019780268	0	47	-2.0	-131.22	388.43	5.78	-125.44
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCSCC3C3=NN=N[N-]3)=N2)=C1	REAL300019780268	1	47	-2.0	-131.19	388.49	5.79	-125.40
O=C(C(=O)N1CCSCC1C1=N[N-]N=N1)C1=CC=C([O-])C=C1	REAL300019780297	1	33	-2.0	-94.41	296.67	2.09	-92.32
O=C(C(=O)N1CCSCC1C1=NN=N[N-]1)C1=CC=C([O-])C=C1	REAL300019780297	1	33	-2.0	-94.43	296.72	2.10	-92.33
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019780479	0	33	-2.0	-100.70	300.39	1.13	-99.57
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019780479	1	33	-2.0	-100.72	300.46	1.13	-99.59
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019780548	1	36	-2.0	-130.30	311.27	4.17	-126.13
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019780548	1	36	-2.0	-130.36	311.27	4.14	-126.22
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019780688	0	38	-2.0	-129.56	344.90	4.38	-125.18
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019780688	1	38	-2.0	-129.54	344.95	4.39	-125.15
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019780689	0	38	-2.0	-130.82	338.65	3.73	-127.09
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019780689	1	38	-2.0	-130.82	338.73	3.75	-127.07
O=C(C1=CC(=O)N=C(C2CC2)[N-]1)N1CCSCC1C1=N[N-]N=N1	REAL300019780779	0	36	-2.0	-100.14	310.04	1.21	-98.93
O=C(C1=CC(=O)N=C(C2CC2)[N-]1)N1CCSCC1C1=NN=N[N-]1	REAL300019780779	1	36	-2.0	-100.12	310.11	1.22	-98.90
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019780859	0	38	-2.0	-131.72	328.18	3.86	-127.86
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019780859	1	38	-2.0	-131.76	328.24	3.88	-127.88
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019780941	0	36	-2.0	-119.84	320.04	-2.33	-122.17
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019780941	1	36	-2.0	-119.87	320.11	-2.32	-122.19
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019781035	0	34	-2.0	-121.98	303.38	3.77	-118.21
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019781035	1	34	-2.0	-121.95	303.45	3.77	-118.18
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781038	0	36	-2.0	-106.97	316.61	1.50	-105.47
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781038	1	36	-2.0	-106.97	316.68	1.50	-105.47
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019781104	0	33	-2.0	-117.01	308.55	4.68	-112.33
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019781104	1	33	-2.0	-117.00	308.62	4.68	-112.32
O=C(CCCC1=N[N-]N=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781147	0	34	-2.0	-108.67	296.17	1.11	-107.56
O=C(CCCC1=N[N-]N=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781147	1	34	-2.0	-108.65	296.10	1.11	-107.54
O=C(CCCC1=NN=N[N-]1)N1CCSCC1C1=NN=N[N-]1	REAL300019781147	1	34	-2.0	-108.72	296.23	1.11	-107.61
O=C(CCCC1=NN=N[N-]1)N1CCSCC1C1=N[N-]N=N1	REAL300019781147	1	34	-2.0	-108.71	296.16	1.13	-107.58
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019782274	0	31	-2.0	-113.71	298.21	3.83	-109.88
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019782274	1	31	-2.0	-113.76	298.27	3.84	-109.92
CC1=CC(C=O)=C([O-])C(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019782281	1	36	-2.0	-136.96	307.92	4.48	-132.48
CC1=CC(C=O)=C([O-])C(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019782281	1	36	-2.0	-136.95	307.98	4.49	-132.46
CC(C)CN1[N-]C(CC(=O)N2CCSCC2C2=N[N-]N=N2)=CC1=O	REAL300019782369	0	43	-2.0	-118.14	359.08	3.53	-114.61
CC(C)CN1[N-]C(CC(=O)N2CCSCC2C2=NN=N[N-]2)=CC1=O	REAL300019782369	1	43	-2.0	-118.19	359.15	3.53	-114.66
COC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019782425	0	37	-2.0	-93.91	322.51	3.38	-90.53
COC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019782425	1	37	-2.0	-93.92	322.57	3.39	-90.53
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019782426	0	31	-2.0	-121.93	288.30	3.28	-118.65
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019782426	1	31	-2.0	-121.88	288.37	3.29	-118.59
O=C(C1=CC=C(F)C([O-])=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019782461	1	31	-2.0	-111.27	273.31	1.78	-109.49
O=C(C1=CC=C(F)C([O-])=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019782461	1	31	-2.0	-111.26	273.38	1.79	-109.47
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019782464	0	31	-2.0	-107.99	283.09	2.28	-105.71
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019782464	1	31	-2.0	-107.99	283.16	2.27	-105.72
COC(=O)C1=CC2=C(C=C(C(=O)N3CCSCC3C3=N[N-]N=N3)O2)[N-]1	REAL300019782555	1	37	-2.0	-93.01	329.32	2.51	-90.50
COC(=O)C1=CC2=C(C=C(C(=O)N3CCSCC3C3=NN=N[N-]3)O2)[N-]1	REAL300019782555	1	37	-2.0	-92.99	329.39	2.52	-90.47
O=C(C1=CC=CC(F)=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019782579	0	31	-2.0	-128.36	271.68	2.86	-125.50
O=C(C1=CC=CC(F)=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019782579	1	31	-2.0	-128.40	271.75	2.86	-125.54
COCC1=NC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019782800	1	36	-2.0	-98.64	307.78	-1.09	-99.73
COCC1=NC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019782800	1	36	-2.0	-98.68	307.86	-1.09	-99.77
CC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019782909	0	36	-2.0	-91.01	312.87	4.25	-86.76
CC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019782909	1	36	-2.0	-91.06	312.93	4.25	-86.81
O=C(C1=CC=C(F)C([O-])=C1F)N1CCSCC1C1=N[N-]N=N1	REAL300019782913	0	31	-2.0	-114.51	278.63	1.86	-112.65
O=C(C1=CC=C(F)C([O-])=C1F)N1CCSCC1C1=NN=N[N-]1	REAL300019782913	1	31	-2.0	-114.51	278.69	1.87	-112.64
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019782924	0	34	-2.0	-92.52	302.73	3.16	-89.36
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019782924	1	34	-2.0	-92.54	302.79	3.19	-89.35
N#CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019783055	0	31	-2.0	-89.50	279.21	0.18	-89.32
N#CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019783055	1	31	-2.0	-89.44	279.28	0.18	-89.26
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=C(Cl)C=C2)S1	REAL300019784287	0	36	-2.0	-97.70	351.29	4.64	-93.06
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=C(Cl)C=C2)S1	REAL300019784287	1	36	-2.0	-97.72	351.35	4.66	-93.06
O=C([N-]C1=NN=C(CC2=CC=C(Cl)C=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784288	0	36	-2.0	-87.67	363.24	4.48	-83.19
O=C([N-]C1=NN=C(CC2=CC=C(Cl)C=C2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784288	1	36	-2.0	-87.71	363.31	4.49	-83.22
O=C(NCCC1=N[N-]C(=S)O1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784322	0	30	-2.0	-79.23	299.82	-3.34	-82.57
O=C(NCCC1=N[N-]C(=S)O1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784322	1	30	-2.0	-79.21	299.89	-3.33	-82.54
O=C(NC1=CC(F)=CC(Cl)=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019784525	0	32	-2.0	-93.98	306.55	4.89	-89.09
O=C(NC1=CC(F)=CC(Cl)=C1[O-])C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019784525	1	32	-2.0	-93.85	306.65	4.92	-88.93
O=C(NC1=CC(F)=CC(Cl)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784526	0	29	-2.0	-77.59	292.77	1.78	-75.81
O=C(NC1=CC(F)=CC(Cl)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784526	1	29	-2.0	-77.57	292.83	1.79	-75.78
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019784540	0	39	-2.0	-102.55	325.65	4.16	-98.39
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019784540	1	39	-2.0	-102.53	325.59	4.13	-98.40
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019784540	1	39	-2.0	-102.78	325.80	4.23	-98.55
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019784540	1	39	-2.0	-102.79	325.75	4.21	-98.58
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019784541	0	36	-2.0	-85.55	310.36	1.87	-83.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019784541	1	36	-2.0	-85.51	310.42	1.88	-83.63
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019784541	1	36	-2.0	-85.52	310.41	1.90	-83.62
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019784541	1	36	-2.0	-85.52	310.48	1.91	-83.61
CC1=NC2=CC=CC=C2C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019784769	0	40	-2.0	-94.13	358.76	2.13	-92.00
CC1=NC2=CC=CC=C2C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019784769	1	40	-2.0	-94.16	358.82	2.14	-92.02
CC1=CC=C(C2=NNC(=O)[N-]2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019784780	0	38	-2.0	-107.32	332.55	1.01	-106.31
CC1=CC=C(C2=NNC(=O)[N-]2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019784780	1	38	-2.0	-107.31	332.61	1.02	-106.29
CC1=CC=C(C2=NNC(=O)[N-]2)C=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019784781	0	41	-2.0	-118.41	357.52	3.95	-114.46
CC1=CC=C(C2=NNC(=O)[N-]2)C=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019784781	1	41	-2.0	-116.94	356.95	3.96	-112.98
CC1=CC=C(C2=NNC(=O)[N-]2)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784782	0	38	-2.0	-87.12	343.15	0.81	-86.31
CC1=CC=C(C2=NNC(=O)[N-]2)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784782	1	38	-2.0	-87.11	343.21	0.82	-86.29
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=N[N-]C(=O)O2)C1	REAL300019784783	0	37	-2.0	-97.97	313.93	-1.93	-99.90
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=N[N-]C(=O)O2)C1	REAL300019784783	1	37	-2.0	-97.95	313.99	-1.92	-99.87
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(C2=N[N-]C(=O)O2)C1	REAL300019784784	0	40	-2.0	-84.53	336.97	0.54	-83.99
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(C2=N[N-]C(=O)O2)C1	REAL300019784784	1	40	-2.0	-84.37	336.93	0.55	-83.82
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(C2=N[N-]C(=O)O2)C1	REAL300019784785	0	37	-2.0	-90.28	321.89	-1.71	-91.99
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(C2=N[N-]C(=O)O2)C1	REAL300019784785	1	37	-2.0	-90.19	321.95	-1.70	-91.89
O=C([N-]NC(=O)NC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784908	0	34	-2.0	-84.50	314.34	0.70	-83.80
O=C([N-]NC(=O)NC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784908	1	34	-2.0	-84.80	314.70	0.68	-84.12
O=C([N-]NC(=O)NC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784909	0	34	-2.0	-84.50	314.34	0.70	-83.80
O=C([N-]NC(=O)NC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784909	1	34	-2.0	-84.80	314.70	0.68	-84.12
O=C([N-]NC(=O)NC1=CC(F)=CC(F)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784912	0	34	-2.0	-78.81	327.17	0.83	-77.98
O=C([N-]NC(=O)NC1=CC(F)=CC(F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784912	1	34	-2.0	-78.82	327.23	0.84	-77.98
O=C([N-]NC(=O)NC1=CC=C(Cl)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784914	0	34	-2.0	-80.25	331.07	1.22	-79.03
O=C([N-]NC(=O)NC1=CC=C(Cl)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784914	1	34	-2.0	-80.28	331.14	1.22	-79.06
O=C([N-]NC(=O)NC1=CC=NC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784915	0	33	-2.0	-81.44	309.49	-1.08	-82.52
O=C([N-]NC(=O)NC1=CC=NC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784915	1	33	-2.0	-81.41	309.56	-1.07	-82.48
O=C([N-]NC(=O)NC1=CC=C(OC(F)F)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784918	0	38	-2.0	-84.71	353.61	0.27	-84.44
O=C([N-]NC(=O)NC1=CC=C(OC(F)F)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784918	1	38	-2.0	-84.72	353.68	0.28	-84.44
CC1=CC=C(NC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(Cl)=C1	REAL300019784920	0	37	-2.0	-85.08	350.73	2.00	-83.08
CC1=CC=C(NC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(Cl)=C1	REAL300019784920	1	37	-2.0	-85.07	350.80	2.00	-83.07
COC1=CC=C(NC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019784922	0	38	-2.0	-83.90	343.85	-0.02	-83.92
COC1=CC=C(NC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019784922	1	38	-2.0	-83.91	343.92	-0.00	-83.91
O=C([N-]NC(=O)NC1=CC=C(Cl)C=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784928	0	34	-2.0	-80.20	346.06	1.85	-78.35
O=C([N-]NC(=O)NC1=CC=C(Cl)C=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784928	1	34	-2.0	-80.18	346.13	1.85	-78.33
O=C([N-]NC(=O)NC1=CC=C2OCOC2=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784930	0	37	-2.0	-84.89	340.73	-0.68	-85.57
O=C([N-]NC(=O)NC1=CC=C2OCOC2=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784930	1	37	-2.0	-84.90	340.79	-0.67	-85.57
COC1=CC=C(Cl)C(NC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019784932	0	38	-2.0	-87.48	358.82	0.64	-86.84
COC1=CC=C(Cl)C(NC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019784932	1	38	-2.0	-87.47	358.88	0.64	-86.83
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019785234	0	41	-2.0	-95.01	349.29	-1.75	-96.76
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019785234	1	41	-2.0	-95.02	349.36	-1.74	-96.76
CCOC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC(Cl)=C1[O-]	REAL300019785295	1	41	-2.0	-86.02	351.36	0.79	-85.23
CCOC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC(Cl)=C1[O-]	REAL300019785295	1	41	-2.0	-86.04	351.43	0.79	-85.25
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019785583	0	41	-2.0	-88.62	355.69	-1.68	-90.30
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019785583	1	41	-2.0	-88.60	355.75	-1.68	-90.28
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019786105	0	44	-2.0	-95.54	370.66	-1.07	-96.61
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019786105	1	44	-2.0	-95.54	370.72	-1.07	-96.61
CSC1=NC(C)=C(CCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019786125	1	45	-2.0	-93.68	379.64	-0.28	-93.96
CSC1=NC(C)=C(CCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019786125	1	45	-2.0	-93.65	379.70	-0.28	-93.93
CN1C(=O)C2=CC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C=C2[N-]C1=S	REAL300019786237	0	42	-2.0	-83.18	358.97	1.64	-81.54
CN1C(=O)C2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C2[N-]C1=S	REAL300019786237	1	42	-2.0	-83.18	359.03	1.64	-81.54
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019786261	1	40	-2.0	-92.50	361.05	2.99	-89.51
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019786261	1	40	-2.0	-92.50	361.11	3.00	-89.50
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019786312	0	42	-2.0	-92.44	363.02	2.41	-90.03
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019786312	1	42	-2.0	-92.43	363.08	2.41	-90.02
O=C(C1=CC(Br)=CC=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019786415	1	34	-2.0	-95.28	306.90	0.12	-95.16
O=C(C1=CC(Br)=CC=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019786415	1	34	-2.0	-95.27	306.96	0.12	-95.15
O=C(C1=CC(Cl)=CC=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019786416	1	34	-2.0	-95.31	302.34	0.01	-95.30
O=C(C1=CC(Cl)=CC=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019786416	1	34	-2.0	-95.30	302.40	0.02	-95.28
O=C(C1=CC=C(Cl)C=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019786425	1	34	-2.0	-97.41	303.40	0.12	-97.29
O=C(C1=CC=C(Cl)C=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019786425	1	34	-2.0	-97.37	303.46	0.12	-97.25
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019786426	0	34	-2.0	-83.14	300.31	-0.25	-83.39
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019786426	1	34	-2.0	-83.13	300.37	-0.25	-83.38
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019786432	1	40	-2.0	-105.09	330.49	1.99	-103.10
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019786432	1	40	-2.0	-105.08	330.55	1.99	-103.09
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019786434	0	36	-2.0	-89.21	310.31	0.97	-88.24
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019786434	1	36	-2.0	-89.23	310.38	0.97	-88.26
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019786629	0	41	-2.0	-84.56	342.23	-3.48	-88.04
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019786629	1	41	-2.0	-84.53	342.29	-3.48	-88.01
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019786937	0	47	-2.0	-97.16	391.18	-0.09	-97.25
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019786937	1	47	-2.0	-97.14	391.25	-0.09	-97.23
NC1=NC([O-])=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)S1	REAL300019787156	0	35	-2.0	-105.35	309.99	-4.92	-110.27
NC1=NC([O-])=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)S1	REAL300019787156	1	35	-2.0	-105.38	310.05	-4.92	-110.30
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019787267	0	44	-2.0	-96.64	369.69	-0.87	-97.51
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019787267	1	44	-2.0	-96.64	369.75	-0.87	-97.51
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019787330	1	39	-2.0	-93.28	330.30	-1.77	-95.05
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019787330	1	39	-2.0	-93.28	330.37	-1.76	-95.04
CC1=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019787356	0	46	-2.0	-105.23	387.77	-1.01	-106.24
CC1=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019787356	1	46	-2.0	-105.26	387.84	-1.01	-106.27
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019787499	1	45	-2.0	-103.53	367.38	-0.33	-103.86
O=C(CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)[N-]C1=NN=C(C2CC2)O1	REAL300019787519	0	45	-2.0	-91.59	379.78	-4.72	-96.31
O=C(CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[N-]C1=NN=C(C2CC2)O1	REAL300019787519	1	45	-2.0	-91.59	379.85	-4.71	-96.30
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019787661	0	38	-2.0	-90.13	327.89	-1.53	-91.66
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019787661	1	38	-2.0	-90.11	327.95	-1.53	-91.64
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019787829	1	43	-2.0	-100.92	361.82	-1.38	-102.30
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019787829	1	43	-2.0	-100.92	361.88	-1.38	-102.30
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1	REAL300019787995	1	42	-2.0	-93.96	373.81	-7.63	-101.59
CC1=CC=C(N2[N-]C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CC2=O)C=C1	REAL300019788004	0	44	-2.0	-88.17	363.37	2.24	-85.93
CC1=CC=C(N2[N-]C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CC2=O)C=C1	REAL300019788004	1	44	-2.0	-88.18	363.44	2.25	-85.93
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788030	0	36	-2.0	-85.45	318.55	-1.39	-86.84
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788030	1	36	-2.0	-85.49	318.61	-1.39	-86.88
CCN1[N-]C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC1=O	REAL300019788044	0	37	-2.0	-85.05	310.12	-1.07	-86.12
CCN1[N-]C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC1=O	REAL300019788044	1	37	-2.0	-85.04	310.18	-1.06	-86.10
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019788143	0	42	-2.0	-101.64	360.84	-1.29	-102.93
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019788143	1	42	-2.0	-101.62	360.78	-1.30	-102.92
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=N2)C=C1	REAL300019788147	0	45	-2.0	-103.13	372.77	0.36	-102.77
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=N2)C=C1	REAL300019788147	1	45	-2.0	-103.14	372.83	0.37	-102.77
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788148	0	41	-2.0	-98.99	349.69	1.13	-97.86
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788148	1	41	-2.0	-99.01	349.76	1.14	-97.87
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CC2=O)=N1	REAL300019788149	0	45	-2.0	-96.25	378.87	2.64	-93.61
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CC2=O)=N1	REAL300019788149	1	45	-2.0	-96.29	378.93	2.64	-93.65
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788150	0	41	-2.0	-108.21	346.74	1.19	-107.02
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788150	1	41	-2.0	-108.25	346.80	1.20	-107.05
O=C(CSC1=N[N-]C(=S)S1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788244	0	33	-2.0	-79.29	324.20	-0.44	-79.73
O=C(CSC1=N[N-]C(=S)S1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788244	1	33	-2.0	-79.28	324.26	-0.43	-79.71
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL300019788278	0	44	-2.0	-101.27	372.42	2.10	-99.17
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL300019788278	1	44	-2.0	-101.31	372.48	2.11	-99.20
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=N2)C=C1	REAL300019788396	0	50	-2.0	-102.93	403.48	2.98	-99.95
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=N2)C=C1	REAL300019788396	1	50	-2.0	-102.93	403.54	2.99	-99.94
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788477	0	36	-2.0	-78.03	312.53	-0.16	-78.19
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788477	1	36	-2.0	-78.03	312.60	-0.16	-78.19
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)S1	REAL300019788525	0	47	-2.0	-89.02	400.22	-0.26	-89.28
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)S1	REAL300019788525	1	47	-2.0	-89.01	400.29	-0.26	-89.27
O=C(C1=NNC(=O)[N-]C1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788570	0	32	-2.0	-86.12	277.33	-5.91	-92.03
O=C(C1=NNC(=O)[N-]C1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788570	1	32	-2.0	-86.08	277.39	-5.90	-91.98
O=C(C1=CC=CC(Br)=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788585	0	34	-2.0	-97.68	306.02	0.17	-97.51
O=C(C1=CC=CC(Br)=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788585	1	34	-2.0	-97.69	306.09	0.18	-97.51
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788599	0	36	-2.0	-104.28	312.70	1.36	-102.92
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788599	1	36	-2.0	-104.27	312.76	1.36	-102.91
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788668	0	36	-2.0	-86.88	313.80	0.19	-86.69
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788668	1	36	-2.0	-86.85	313.86	0.19	-86.66
O=C(C1=CC=C(Br)C=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788669	1	34	-2.0	-97.34	307.96	0.22	-97.12
O=C(C1=CC=C(Br)C=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788669	1	34	-2.0	-97.33	308.02	0.23	-97.10
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788672	0	40	-2.0	-98.05	345.91	2.49	-95.56
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788672	1	40	-2.0	-98.05	345.98	2.49	-95.56
O=C(C1=C([O-])C=CC=C1Cl)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788684	1	34	-2.0	-90.16	305.33	-0.12	-90.28
O=C(C1=C([O-])C=CC=C1Cl)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788684	1	34	-2.0	-90.20	305.40	-0.12	-90.32
O=C(C1=CC=CC(Cl)=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788931	0	34	-2.0	-98.74	301.64	0.06	-98.68
O=C(C1=CC=CC(Cl)=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788931	1	34	-2.0	-98.78	301.70	0.06	-98.72
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788981	1	37	-2.0	-95.48	324.29	0.56	-94.92
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788981	1	37	-2.0	-95.47	324.35	0.56	-94.91
O=C(C1=CC=C([O-])C=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788985	1	34	-2.0	-85.35	293.33	-0.65	-86.00
O=C(C1=CC=C([O-])C=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788985	1	34	-2.0	-85.31	293.39	-0.65	-85.96
O=C(C1=CC=C([O-])C(F)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789165	1	34	-2.0	-86.66	290.52	-0.74	-87.40
O=C(C1=CC=C([O-])C(F)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789165	1	34	-2.0	-86.62	290.58	-0.74	-87.36
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789193	0	39	-2.0	-81.86	346.83	-2.54	-84.40
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789193	1	39	-2.0	-81.86	346.89	-2.54	-84.40
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789194	0	38	-2.0	-84.33	324.34	-0.88	-85.21
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789194	1	38	-2.0	-84.36	324.41	-0.88	-85.24
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789195	0	34	-2.0	-81.82	306.52	-0.18	-82.00
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789195	1	34	-2.0	-81.85	306.58	-0.17	-82.02
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790332	0	41	-2.0	-102.43	360.01	1.59	-100.84
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790332	1	41	-2.0	-102.42	360.07	1.60	-100.82
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790333	0	41	-2.0	-102.48	353.24	1.13	-101.35
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790333	1	41	-2.0	-102.52	353.30	1.13	-101.39
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790558	0	41	-2.0	-103.87	343.26	1.06	-102.81
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790558	1	41	-2.0	-103.87	343.33	1.06	-102.81
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019790662	0	39	-2.0	-100.48	339.80	-5.54	-106.02
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019790662	1	39	-2.0	-100.43	339.87	-5.53	-105.96
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790783	0	37	-2.0	-98.70	324.14	0.67	-98.03
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790783	1	37	-2.0	-98.67	324.20	0.67	-98.00
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790787	0	39	-2.0	-90.78	333.78	-1.07	-91.85
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790787	1	39	-2.0	-90.77	333.84	-1.06	-91.83
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790871	0	36	-2.0	-95.05	329.42	1.88	-93.17
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790871	1	36	-2.0	-95.06	329.48	1.88	-93.18
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790902	1	39	-2.0	-110.65	324.04	0.90	-109.75
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790902	1	39	-2.0	-110.60	324.10	0.91	-109.69
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790928	0	37	-2.0	-88.17	310.82	-1.50	-89.67
O=C(CCCC1=N[N-]N=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790928	1	37	-2.0	-88.14	310.76	-1.50	-89.64
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790928	1	37	-2.0	-88.18	310.88	-1.49	-89.67
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790928	1	37	-2.0	-88.17	310.81	-1.49	-89.66
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=C2)O1	REAL300019792350	1	43	-2.0	-97.90	368.97	1.13	-96.77
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=C2)O1	REAL300019792350	1	43	-2.0	-97.83	369.03	1.13	-96.70
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792385	0	38	-2.0	-80.61	353.56	-0.17	-80.78
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792385	1	38	-2.0	-80.60	353.62	-0.17	-80.77
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792403	0	34	-2.0	-91.47	317.86	1.12	-90.35
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792403	1	34	-2.0	-91.53	317.93	1.12	-90.41
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019792412	1	39	-2.0	-94.27	330.11	0.11	-94.16
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019792412	1	39	-2.0	-94.27	330.18	0.11	-94.16
CC(C)CN1[N-]C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC1=O	REAL300019792524	0	46	-2.0	-94.97	373.79	0.90	-94.07
CC(C)CN1[N-]C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC1=O	REAL300019792524	1	46	-2.0	-94.98	373.86	0.91	-94.07
COC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019792593	0	40	-2.0	-85.41	339.49	0.81	-84.60
COC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019792593	1	40	-2.0	-85.40	339.55	0.81	-84.59
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792594	0	34	-2.0	-99.10	308.95	0.22	-98.88
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792594	1	34	-2.0	-99.10	309.02	0.23	-98.87
O=C(C1=CC=C(F)C([O-])=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792636	1	34	-2.0	-93.09	290.54	-0.77	-93.86
O=C(C1=CC=C(F)C([O-])=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792636	1	34	-2.0	-93.07	290.61	-0.77	-93.84
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792640	0	34	-2.0	-90.19	302.13	-0.22	-90.41
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792640	1	34	-2.0	-90.23	302.20	-0.22	-90.45
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)O2)[N-]1	REAL300019792763	1	40	-2.0	-82.18	344.24	-0.09	-82.27
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)O2)[N-]1	REAL300019792763	1	40	-2.0	-82.16	344.30	-0.09	-82.25
O=C(C1=CC=CC(F)=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792793	0	34	-2.0	-104.07	291.83	-0.42	-104.49
O=C(C1=CC=CC(F)=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792793	1	34	-2.0	-104.05	291.89	-0.42	-104.47
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792820	0	34	-2.0	-94.44	297.73	0.20	-94.24
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792820	1	34	-2.0	-94.42	297.79	0.21	-94.21
COCC1=NC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019793077	1	39	-2.0	-85.71	327.71	-3.73	-89.44
COCC1=NC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019793077	1	39	-2.0	-85.71	327.78	-3.73	-89.44
CC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019793213	0	39	-2.0	-82.25	330.33	1.71	-80.54
CC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019793213	1	39	-2.0	-82.28	330.40	1.71	-80.57
O=C(C1=CC=C(F)C([O-])=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019793218	0	34	-2.0	-96.91	299.29	-0.60	-97.51
O=C(C1=CC=C(F)C([O-])=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019793218	1	34	-2.0	-96.94	299.35	-0.59	-97.53
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019793231	0	37	-2.0	-82.68	319.57	0.43	-82.25
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019793231	1	37	-2.0	-82.63	319.64	0.44	-82.19
N#CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019793406	0	34	-2.0	-82.85	304.58	-2.40	-85.25
N#CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019793406	1	34	-2.0	-82.87	304.64	-2.39	-85.26
CN1C(=S)[N-]N=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019793783	1	33	-2.0	-80.30	289.48	0.36	-79.94
CN1C(=S)[N-]N=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019793783	1	33	-2.0	-80.32	289.54	0.37	-79.95
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019793807	0	42	-2.0	-103.10	344.69	-4.73	-107.83
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019793807	1	42	-2.0	-103.12	344.76	-4.73	-107.85
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794190	0	39	-2.0	-82.26	342.14	-0.08	-82.34
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794190	1	39	-2.0	-82.28	342.20	-0.07	-82.35
CC1=CC=CC=C1NC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795255	0	37	-2.0	-84.89	332.14	1.54	-83.35
CC1=CC=CC=C1NC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795255	1	37	-2.0	-84.86	332.20	1.54	-83.32
O=C([N-]NC(=O)NCC(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795257	0	30	-2.0	-79.79	299.83	-1.72	-81.51
O=C([N-]NC(=O)NCC(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795257	1	30	-2.0	-79.72	299.90	-1.72	-81.44
CC(C)C1=CC=CC=C1NC(=S)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795281	0	43	-2.0	-82.79	382.06	5.32	-77.47
CC(C)C1=CC=CC=C1NC(=S)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795281	1	43	-2.0	-82.77	382.13	5.32	-77.45
COC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1F	REAL300019795338	0	38	-2.0	-78.84	359.72	2.49	-76.35
COC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1F	REAL300019795338	1	38	-2.0	-78.87	359.79	2.50	-76.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795456	0	33	-2.0	-102.81	300.25	1.29	-101.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019795456	1	33	-2.0	-102.60	300.35	1.32	-101.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795457	0	30	-2.0	-79.02	286.46	-1.81	-80.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795457	1	30	-2.0	-78.98	286.53	-1.80	-80.78
CC(OC1=CC=CC(Cl)=C1)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795640	0	39	-2.0	-94.02	368.68	2.85	-91.17
CC(OC1=CC=CC(Cl)=C1)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795640	1	39	-2.0	-94.03	368.75	2.86	-91.17
O=C([N-]CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1)C(F)(F)F	REAL300019795654	1	41	-2.0	-76.61	361.48	1.81	-74.80
CCC1(C)NC(=O)N([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL300019795787	0	36	-2.0	-99.86	320.16	0.14	-99.72
CCC1(C)NC(=O)N([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL300019795787	1	36	-2.0	-99.88	320.25	0.14	-99.74
CC1=CC=CC(C(=O)[N-]NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL300019795866	0	37	-2.0	-116.63	333.54	3.16	-113.47
CC1=CC=CC(C(=O)[N-]NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL300019795866	1	37	-2.0	-116.25	334.02	3.14	-113.11
CC1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019795867	0	34	-2.0	-100.07	319.80	0.07	-100.00
CC1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300019795867	1	34	-2.0	-100.06	319.87	0.07	-99.99
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019795871	0	36	-2.0	-97.59	332.98	4.33	-93.26
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019795871	1	36	-2.0	-97.56	333.04	4.34	-93.22
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019795872	0	36	-2.0	-88.39	344.94	4.14	-84.25
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300019795872	1	36	-2.0	-88.33	345.00	4.16	-84.17
O=C([N-]NC(=O)C1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795978	0	33	-2.0	-92.80	299.61	-1.81	-94.61
O=C([N-]NC(=O)C1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795978	1	33	-2.0	-92.80	299.68	-1.81	-94.61
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2(C3=CC=CC=C3)CC2)S1	REAL300019796299	0	40	-2.0	-102.96	360.04	5.17	-97.79
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2(C3=CC=CC=C3)CC2)S1	REAL300019796299	1	40	-2.0	-102.95	359.99	5.16	-97.79
O=C([N-]C1=NN=C(C2(C3=CC=CC=C3)CC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019796300	0	40	-2.0	-93.31	371.87	4.99	-88.32
O=C([N-]C1=NN=C(C2(C3=CC=CC=C3)CC2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019796300	1	40	-2.0	-93.29	371.94	5.00	-88.29
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300019796407	0	33	-2.0	-96.82	332.11	3.98	-92.84
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300019796407	1	33	-2.0	-96.79	332.17	3.99	-92.80
CCC(CC)(NC(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019796693	0	42	-2.0	-99.21	361.90	0.71	-98.50
CCC(CC)(NC(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019796693	1	42	-2.0	-99.27	361.96	0.73	-98.54
CCOC1=CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300019796747	1	42	-2.0	-83.71	350.32	3.97	-79.74
CCOC1=CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300019796747	1	42	-2.0	-83.69	350.39	3.99	-79.70
CCC(CC)(NC(=O)CCC1=C(C)N=C(SC)[N-]C1=O)C1=N[N-]N=N1	REAL300019797513	1	46	-2.0	-87.70	377.33	2.51	-85.19
CCC(CC)(NC(=O)CCC1=C(C)N=C(SC)[N-]C1=O)C1=NN=N[N-]1	REAL300019797513	1	46	-2.0	-87.69	377.39	2.53	-85.16
C=CCN1C(=O)C2=CC=C(C(=O)NC(CC)(CC)C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019797610	0	47	-2.0	-74.52	390.47	6.40	-68.12
C=CCN1C(=O)C2=CC=C(C(=O)NC(CC)(CC)C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019797610	1	47	-2.0	-74.55	390.53	6.40	-68.15
CCC(CC)(NC(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019797611	0	43	-2.0	-74.45	355.91	4.90	-69.55
CCC(CC)(NC(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019797611	1	43	-2.0	-74.48	355.98	4.91	-69.57
CCC(CC)(NC(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300019797622	1	41	-2.0	-90.84	356.16	5.88	-84.96
CCC(CC)(NC(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300019797622	1	41	-2.0	-90.80	356.22	5.88	-84.92
CCC(CC)(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300019797646	1	47	-2.0	-92.54	386.93	7.31	-85.23
CCC(CC)(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300019797646	1	47	-2.0	-92.51	387.00	7.33	-85.18
CCC(CC)(NC(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL300019797647	0	43	-2.0	-89.04	360.66	5.25	-83.79
CCC(CC)(NC(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL300019797647	1	43	-2.0	-89.07	360.73	5.26	-83.81
CCN1C(=O)C2=CC=C(C(=O)NC(CC)(CC)C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019797670	0	46	-2.0	-75.07	377.99	5.71	-69.36
CCN1C(=O)C2=CC=C(C(=O)NC(CC)(CC)C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019797670	1	46	-2.0	-75.07	378.05	5.72	-69.35
CCC(CC)(NC(=O)CCN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL300019797683	0	46	-2.0	-84.96	381.24	5.70	-79.26
CCC(CC)(NC(=O)CCN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL300019797683	1	46	-2.0	-84.95	381.31	5.71	-79.24
CCC(CC)(NC(=O)CN1C(=S)[N-]N=C1C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300019797709	1	47	-2.0	-92.90	385.68	7.26	-85.64
CCC(CC)(NC(=O)CN1C(=S)[N-]N=C1C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300019797709	1	47	-2.0	-92.88	385.74	7.27	-85.61
CCC(CC)(NC(=O)C1=CC(Br)=CC=C1[O-])C1=N[N-]N=N1	REAL300019797743	1	35	-2.0	-87.92	301.62	4.56	-83.36
CCC(CC)(NC(=O)C1=CC(Br)=CC=C1[O-])C1=NN=N[N-]1	REAL300019797743	1	35	-2.0	-87.93	301.69	4.57	-83.36
CCC(CC)(NC(=O)C1=CC(Cl)=CC=C1[O-])C1=N[N-]N=N1	REAL300019797744	1	35	-2.0	-87.99	297.06	4.46	-83.53
CCC(CC)(NC(=O)C1=CC(Cl)=CC=C1[O-])C1=NN=N[N-]1	REAL300019797744	1	35	-2.0	-88.05	297.13	4.46	-83.59
CCC(CC)(NC(=O)C1=CC=C(Cl)C=C1[O-])C1=N[N-]N=N1	REAL300019797751	1	35	-2.0	-88.19	297.05	4.46	-83.73
CCC(CC)(NC(=O)C1=CC=C(Cl)C=C1[O-])C1=NN=N[N-]1	REAL300019797751	1	35	-2.0	-88.21	297.12	4.46	-83.75
CCC(CC)(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300019797752	0	35	-2.0	-79.09	298.48	3.05	-76.04
CCC(CC)(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300019797752	1	35	-2.0	-79.06	298.54	3.06	-76.00
CCC(CC)(NC(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019797756	1	41	-2.0	-97.04	325.33	6.27	-90.77
CCC(CC)(NC(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019797756	1	41	-2.0	-97.04	325.26	6.27	-90.77
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=N[N-]N=N1	REAL300019797759	0	37	-2.0	-84.79	308.48	4.27	-80.52
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=NN=N[N-]1	REAL300019797759	1	37	-2.0	-84.83	308.55	4.28	-80.55
CCC(CC)(NC(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=NN=N[N-]1	REAL300019797929	0	42	-2.0	-77.28	341.25	-0.30	-77.58
CCC(CC)(NC(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=N[N-]N=N1	REAL300019797929	1	42	-2.0	-77.24	341.18	-0.31	-77.55
CCC(CC)(NC(=O)CC1=C([O-])N=C(N)S1)C1=N[N-]N=N1	REAL300019798371	0	36	-2.0	-97.43	307.64	-2.12	-99.55
CCC(CC)(NC(=O)CC1=C([O-])N=C(N)S1)C1=NN=N[N-]1	REAL300019798371	1	36	-2.0	-97.41	307.71	-2.10	-99.51
CCC(CC)(NC(=O)C(C)N1C(=S)[N-]N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300019798505	1	44	-2.0	-92.70	368.85	5.97	-86.73
CCC(CC)(NC(=O)C(C)N1C(=S)[N-]N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300019798505	1	44	-2.0	-92.65	368.91	5.97	-86.68
CCC(CC)(NC(=O)CCN1C=C[N-]C(=O)C1=O)C1=N[N-]N=N1	REAL300019798529	1	40	-2.0	-86.57	327.96	1.03	-85.54
CCC(CC)(NC(=O)CCN1C=C[N-]C(=O)C1=O)C1=NN=N[N-]1	REAL300019798529	1	40	-2.0	-86.52	328.02	1.05	-85.47
CCC(CC)(NC(=O)CC1=C(C)N=C(C2=NC=CC=N2)[N-]C1=O)C1=N[N-]N=N1	REAL300019798551	0	47	-2.0	-102.71	383.73	1.84	-100.87
CCC(CC)(NC(=O)CC1=C(C)N=C(C2=NC=CC=N2)[N-]C1=O)C1=NN=N[N-]1	REAL300019798551	1	47	-2.0	-102.70	383.79	1.84	-100.86
CCC(CC)(NC(=O)CC1=C(C)N2[N-]C(=O)C=C2N=C1C)C1=N[N-]N=N1	REAL300019798672	1	46	-2.0	-93.58	363.10	2.44	-91.14
CCC(CC)(NC(=O)CC1=C(C)N2[N-]C(=O)C=C2N=C1C)C1=NN=N[N-]1	REAL300019798672	1	46	-2.0	-93.58	363.16	2.44	-91.14
CCC(CC)(NC(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300019798684	0	46	-2.0	-88.60	377.47	-1.92	-90.52
CCC(CC)(NC(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300019798684	1	46	-2.0	-88.58	377.53	-1.91	-90.49
CCC(CC)(NC(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=N[N-]N=N1	REAL300019798950	1	44	-2.0	-94.36	359.47	1.42	-92.94
CCC(CC)(NC(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=NN=N[N-]1	REAL300019798950	1	44	-2.0	-94.38	359.54	1.43	-92.95
CCC(CC)(NC(=O)C1=CC=C(S(=O)(=O)[N-]CC(N)=O)O1)C1=N[N-]N=N1	REAL300019799077	1	43	-2.0	-90.90	373.77	-4.61	-95.51
CCC(CC)(NC(=O)C1=CC(=O)N(C2=CC=C(C)C=C2)[N-]1)C1=N[N-]N=N1	REAL300019799085	0	45	-2.0	-88.65	364.10	4.76	-83.89
CCC(CC)(NC(=O)C1=CC(=O)N(C2=CC=C(C)C=C2)[N-]1)C1=NN=N[N-]1	REAL300019799085	1	45	-2.0	-88.63	364.16	4.77	-83.86
CCC(CC)(NC(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=N[N-]N=N1	REAL300019799107	0	37	-2.0	-77.03	316.30	1.75	-75.28
CCC(CC)(NC(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=NN=N[N-]1	REAL300019799107	1	37	-2.0	-77.04	316.36	1.77	-75.27
CCC(CC)(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C1=NN=N[N-]1	REAL300019799187	0	43	-2.0	-97.73	347.26	2.22	-95.51
CCC(CC)(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C1=N[N-]N=N1	REAL300019799187	1	43	-2.0	-97.77	347.20	2.21	-95.56
CCC(CC)(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019799189	0	46	-2.0	-101.91	372.73	3.07	-98.84
CCC(CC)(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019799189	1	46	-2.0	-101.94	372.80	3.07	-98.87
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019799190	0	42	-2.0	-97.37	349.66	3.84	-93.53
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019799190	1	42	-2.0	-97.32	349.73	3.84	-93.48
CCC(CC)(NC(=O)C1=CC(=O)N(C2=NC(C)=CC(C)=N2)[N-]1)C1=N[N-]N=N1	REAL300019799191	0	46	-2.0	-97.73	378.81	5.29	-92.44
CCC(CC)(NC(=O)C1=CC(=O)N(C2=NC(C)=CC(C)=N2)[N-]1)C1=NN=N[N-]1	REAL300019799191	1	46	-2.0	-97.78	378.87	5.29	-92.49
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300019799192	0	42	-2.0	-108.02	347.75	3.93	-104.09
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300019799192	1	42	-2.0	-108.01	347.82	3.93	-104.08
CCC(CC)(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C1=N[N-]N=N1	REAL300019800203	1	38	-2.0	-81.38	311.63	-2.08	-83.46
CCC(CC)(NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019800237	1	36	-2.0	-77.78	302.70	1.97	-75.81
CCC(CC)(NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019800237	1	36	-2.0	-77.82	302.76	1.97	-75.85
CCC(CC)(NC(=O)C1=CC([O-])=CC(C#N)=C1)C1=N[N-]N=N1	REAL300019800263	1	36	-2.0	-81.21	304.15	2.73	-78.48
CCC(CC)(NC(=O)C1=CC([O-])=CC(C#N)=C1)C1=NN=N[N-]1	REAL300019800263	1	36	-2.0	-81.16	304.21	2.74	-78.42
CCC(CC)(NC(=O)CSC1=NNC(=O)[N-]1)C1=N[N-]N=N1	REAL300019800283	0	35	-2.0	-79.59	303.30	-1.34	-80.93
CCC(CC)(NC(=O)CSC1=NNC(=O)[N-]1)C1=NN=N[N-]1	REAL300019800283	1	35	-2.0	-79.61	303.37	-1.32	-80.93
CCC(CC)(NC(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=N[N-]N=N1	REAL300019800314	1	37	-2.0	-81.40	316.31	5.26	-76.14
CCC(CC)(NC(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=NN=N[N-]1	REAL300019800314	1	37	-2.0	-81.43	316.37	5.27	-76.16
CCC(CC)(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300019800430	0	45	-2.0	-106.02	368.80	4.30	-101.72
CCC(CC)(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300019800430	1	45	-2.0	-105.98	368.87	4.32	-101.66
CCC(CC)(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019800441	0	51	-2.0	-104.10	403.52	5.69	-98.41
CCC(CC)(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019800441	1	51	-2.0	-104.11	403.58	5.69	-98.42
CCC(CC)(NC(=O)C(=O)C1=CC=C([O-])C=C1)C1=N[N-]N=N1	REAL300019800472	1	37	-2.0	-79.08	303.63	2.21	-76.87
CCC(CC)(NC(=O)C(=O)C1=CC=C([O-])C=C1)C1=NN=N[N-]1	REAL300019800472	1	37	-2.0	-79.08	303.70	2.23	-76.85
CCC(CC)(NC(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019800662	0	37	-2.0	-78.21	316.35	1.75	-76.46
CCC(CC)(NC(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019800662	1	37	-2.0	-78.23	316.42	1.76	-76.47
CCC(CC)(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019800702	0	42	-2.0	-98.71	349.66	3.84	-94.87
CCC(CC)(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019800702	1	42	-2.0	-98.72	349.73	3.84	-94.88
CCC(CC)(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL300019800734	1	40	-2.0	-100.95	323.68	4.46	-96.49
CCC(CC)(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL300019800734	1	40	-2.0	-100.89	323.62	4.45	-96.44
CCC(CC)(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019800863	0	42	-2.0	-98.83	359.98	4.29	-94.54
CCC(CC)(NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019800863	1	42	-2.0	-98.80	360.05	4.29	-94.51
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300019800864	0	42	-2.0	-98.61	353.01	3.81	-94.80
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300019800864	1	42	-2.0	-98.56	353.07	3.82	-94.74
CCC(CC)(NC(=O)C1=CC(=O)N=C(C2CC2)[N-]1)C1=N[N-]N=N1	REAL300019800952	0	40	-2.0	-87.25	325.32	1.99	-85.26
CCC(CC)(NC(=O)C1=CC(=O)N=C(C2CC2)[N-]1)C1=NN=N[N-]1	REAL300019800952	1	40	-2.0	-87.22	325.39	1.99	-85.23
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019801024	0	42	-2.0	-103.06	344.05	3.65	-99.41
CCC(CC)(NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019801024	1	42	-2.0	-103.02	344.12	3.67	-99.35
CCC(CC)(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=N[N-]N=N1	REAL300019801094	0	40	-2.0	-94.04	334.52	-1.11	-95.15
CCC(CC)(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=NN=N[N-]1	REAL300019801094	1	40	-2.0	-94.06	334.59	-1.11	-95.17
CCC(CC)(NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=N[N-]N=N1	REAL300019801193	0	38	-2.0	-89.00	317.78	4.98	-84.02
CCC(CC)(NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=NN=N[N-]1	REAL300019801193	1	38	-2.0	-89.00	317.85	4.97	-84.03
CCC(CC)(NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=N[N-]N=N1	REAL300019801195	0	40	-2.0	-80.39	332.54	2.12	-78.27
CCC(CC)(NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=NN=N[N-]1	REAL300019801195	1	40	-2.0	-80.43	332.61	2.13	-78.30
CCC(CC)(NC(=O)C1=NC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300019802271	0	34	-2.0	-87.77	298.88	2.83	-84.94
CCC(CC)(NC(=O)C1=NC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300019802271	1	34	-2.0	-87.79	298.95	2.83	-84.96
CCC(CC)([N-]C(=O)C(F)(F)C1=NC=CC=C1Br)C1=N[N-]N=N1	REAL300019802354	1	36	-2.0	-106.24	318.01	3.21	-103.03
CCC(CC)(NC(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=N[N-]N=N1	REAL300019802407	1	44	-2.0	-106.08	364.00	6.10	-99.98
CCC(CC)(NC(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=NN=N[N-]1	REAL300019802407	1	44	-2.0	-106.04	364.06	6.10	-99.94
CCC(CC)(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL300019802452	0	35	-2.0	-84.05	313.08	4.98	-79.07
CCC(CC)(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL300019802452	1	35	-2.0	-84.00	313.14	4.98	-79.02
CCC(CC)(NC(=O)C1=CC(C)=CC(C=O)=C1[O-])C1=N[N-]N=N1	REAL300019802456	1	40	-2.0	-101.73	322.79	5.46	-96.27
CCC(CC)(NC(=O)C1=CC(C)=CC(C=O)=C1[O-])C1=NN=N[N-]1	REAL300019802456	1	40	-2.0	-101.69	322.86	5.46	-96.23
CCC(CC)(NC(=O)CC1=CC(=O)N(CC(C)C)[N-]1)C1=N[N-]N=N1	REAL300019802547	0	47	-2.0	-88.11	371.41	3.72	-84.39
CCC(CC)(NC(=O)CC1=CC(=O)N(CC(C)C)[N-]1)C1=NN=N[N-]1	REAL300019802547	1	47	-2.0	-88.08	371.47	3.73	-84.35
CCC(CC)(NC(=O)C1=CC(OC)=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019802603	0	41	-2.0	-84.37	338.44	3.99	-80.38
CCC(CC)(NC(=O)C1=CC(OC)=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019802603	1	41	-2.0	-84.36	338.50	4.01	-80.35
CCC(CC)(NC(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=N[N-]N=N1	REAL300019802604	0	35	-2.0	-88.44	302.69	4.50	-83.94
CCC(CC)(NC(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=NN=N[N-]1	REAL300019802604	1	35	-2.0	-88.43	302.76	4.51	-83.92
CCC(CC)(NC(=O)C1=CC=C(Cl)C([O-])=C1)C1=N[N-]N=N1	REAL300019802641	0	35	-2.0	-85.52	298.52	3.02	-82.50
CCC(CC)(NC(=O)C1=CC=C(Cl)C([O-])=C1)C1=NN=N[N-]1	REAL300019802641	1	35	-2.0	-85.53	298.58	3.03	-82.50
CCC(CC)([N-]C(=O)C(F)(F)C1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL300019802644	1	36	-2.0	-93.48	319.57	2.47	-91.01
CCC(CC)(NC(=O)C1=CC2=C(C=C(C(=O)OC)[N-]2)O1)C1=N[N-]N=N1	REAL300019802725	1	41	-2.0	-80.69	343.94	2.81	-77.88
CCC(CC)(NC(=O)C1=CC2=C(C=C(C(=O)OC)[N-]2)O1)C1=NN=N[N-]1	REAL300019802725	1	41	-2.0	-80.65	344.01	2.82	-77.83
CCC(CC)(NC(=O)C1=CC(F)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL300019802769	0	35	-2.0	-86.16	292.96	4.06	-82.10
CCC(CC)(NC(=O)C1=CC(F)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL300019802769	1	35	-2.0	-86.18	293.02	4.07	-82.11
CCC(CC)(NC(=O)C1=CN=C(COC)[N-]C1=O)C1=N[N-]N=N1	REAL300019802979	1	40	-2.0	-91.94	324.39	-0.40	-92.34
CCC(CC)(NC(=O)C1=CN=C(COC)[N-]C1=O)C1=NN=N[N-]1	REAL300019802979	1	40	-2.0	-91.97	324.46	-0.39	-92.36
CCC(CC)(NC(=O)C1=CC(C)=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019803090	0	40	-2.0	-81.95	329.30	4.89	-77.06
CCC(CC)(NC(=O)C1=CC(C)=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019803090	1	40	-2.0	-81.96	329.36	4.90	-77.06
CCC(CC)([N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F)C1=N[N-]N=N1	REAL300019803092	0	34	-2.0	-87.66	308.88	0.76	-86.90
CCC(CC)([N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F)C1=NN=N[N-]1	REAL300019803092	1	34	-2.0	-87.68	308.95	0.77	-86.91
CCC(CC)(NC(=O)C1=CC=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL300019803093	0	35	-2.0	-86.58	293.06	2.61	-83.97
CCC(CC)(NC(=O)C1=CC=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL300019803093	1	35	-2.0	-86.64	293.13	2.61	-84.03
CCC(CC)(NC(=O)C1=CC(Cl)=C([O-])C=C1C)C1=N[N-]N=N1	REAL300019803104	0	38	-2.0	-80.09	314.52	3.73	-76.36
CCC(CC)(NC(=O)C1=CC(Cl)=C([O-])C=C1C)C1=NN=N[N-]1	REAL300019803104	1	38	-2.0	-80.17	314.58	3.74	-76.43
CCC(CC)([N-]C(=O)C(F)(F)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019803196	1	37	-2.0	-99.17	318.74	3.89	-95.28
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=N[N-]C(=O)O2)CC1	REAL300019805218	1	37	-2.0	-94.43	314.14	-1.96	-96.39
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=N[N-]C(=O)O2)CC1	REAL300019805218	1	37	-2.0	-94.42	314.20	-1.95	-96.37
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C2=N[N-]C(=O)O2)CC1	REAL300019805219	1	40	-2.0	-103.42	337.54	0.63	-102.79
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2=N[N-]C(=O)O2)CC1	REAL300019805220	1	37	-2.0	-83.55	321.88	-1.69	-85.24
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2=N[N-]C(=O)O2)CC1	REAL300019805220	1	37	-2.0	-83.54	321.95	-1.69	-85.23
O=C(NC1=CC=C([O-])C(F)=C1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019805331	1	32	-2.0	-98.14	296.01	4.36	-93.78
O=C(NC1=CC=C([O-])C(F)=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019805332	1	29	-2.0	-79.20	283.06	1.23	-77.97
O=C(NC1=CC=C([O-])C(F)=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019805332	1	29	-2.0	-79.21	283.13	1.25	-77.96
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019805343	1	41	-2.0	-103.90	373.06	1.82	-102.08
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019805343	1	41	-2.0	-103.94	373.12	1.84	-102.10
COC1=CC=CC=C1C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019806037	0	37	-2.0	-106.27	339.02	3.08	-103.19
COC1=CC=CC=C1C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019806037	1	37	-2.0	-106.30	339.08	3.09	-103.21
COC1=CC=CC=C1C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019806039	0	37	-2.0	-96.96	350.46	2.76	-94.20
O=C(CCCC1=N[N-]N=N1)NC1=C(C2=CC=CC=C2)[N-]NC1=O	REAL300019806380	0	36	-2.0	-103.82	318.22	2.03	-101.79
O=C(CCCC1=NN=N[N-]1)NC1=C(C2=CC=CC=C2)[N-]NC1=O	REAL300019806380	1	36	-2.0	-103.84	318.28	2.05	-101.79
O=C(NC1=C(C2=CC=CC=C2)[N-]NC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806381	0	36	-2.0	-88.17	328.01	2.23	-85.94
O=C(NC1=C(C2=CC=CC=C2)[N-]NC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806381	1	36	-2.0	-88.17	328.08	2.24	-85.93
CCC(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019806479	0	37	-2.0	-98.10	321.96	2.70	-95.40
CCC(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019806479	1	37	-2.0	-98.10	322.01	2.72	-95.38
CCC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019806480	0	40	-2.0	-109.35	346.30	5.61	-103.74
CCC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019806480	1	40	-2.0	-109.19	346.41	5.62	-103.57
CCC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019806481	0	37	-2.0	-89.22	333.36	2.49	-86.73
CCC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019806481	1	37	-2.0	-89.26	333.43	2.50	-86.76
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=C([O-])C2=CC=CC=C2NC1=O	REAL300019806508	0	39	-2.0	-105.01	345.75	1.17	-103.84
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=C([O-])C2=CC=CC=C2NC1=O	REAL300019806508	1	39	-2.0	-105.02	345.81	1.19	-103.83
O=C([N-]NC(=O)C1=C([O-])C2=CC=CC=C2NC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806509	0	38	-3.0	-197.04	354.82	0.13	-196.91
O=C([N-]NC(=O)C1=C([O-])C2=CC=CC=C2NC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806509	1	38	-3.0	-197.05	354.89	0.13	-196.92
O=C([N-]NC(=O)C1CCCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806627	0	36	-2.0	-94.88	319.53	0.28	-94.60
O=C([N-]NC(=O)C1CCCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806627	1	36	-2.0	-94.90	319.60	0.28	-94.62
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCOCC2)S1	REAL300019806875	0	37	-2.0	-100.09	328.03	1.22	-98.87
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCOCC2)S1	REAL300019806875	1	37	-2.0	-100.15	328.09	1.23	-98.92
O=C([N-]C1=NN=C(C2CCOCC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806877	0	37	-2.0	-89.68	339.98	1.06	-88.62
CCN1N=CN([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL300019806988	0	31	-2.0	-86.56	290.68	1.36	-85.20
CCN1N=CN([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL300019806988	1	31	-2.0	-86.54	290.75	1.36	-85.18
COC1=CC=C(CCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019807427	0	42	-2.0	-92.32	376.50	1.97	-90.35
COC1=CC=C(CCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019807427	1	42	-2.0	-92.33	376.57	1.98	-90.35
COC1=CC=CC=C1CC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807430	0	39	-2.0	-96.22	353.92	1.22	-95.00
COC1=CC=CC=C1CC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807430	1	39	-2.0	-96.24	353.99	1.23	-95.01
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=CS2)=NS1	REAL300019807512	0	30	-2.0	-92.21	301.20	2.74	-89.47
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=CS2)=NS1	REAL300019807512	1	30	-2.0	-92.19	301.15	2.73	-89.46
O=C([N-]C1=NC(C2=CC=CS2)=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807513	0	30	-2.0	-85.30	312.59	2.45	-82.85
O=C([N-]C1=NC(C2=CC=CS2)=NS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807513	1	30	-2.0	-85.31	312.65	2.45	-82.86
O=C(CCCC1=N[N-]N=N1)NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019807581	0	32	-2.0	-86.06	318.32	2.46	-83.60
O=C(CCCC1=NN=N[N-]1)NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019807581	1	32	-2.0	-86.04	318.38	2.47	-83.57
O=C(NCC1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807582	0	35	-2.0	-93.89	342.59	5.37	-88.52
O=C(NCC1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807582	1	35	-2.0	-93.72	342.69	5.40	-88.32
O=C(NCC1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807583	0	32	-2.0	-78.51	328.81	2.27	-76.24
O=C(NCC1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807583	1	32	-2.0	-78.56	328.88	2.27	-76.29
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019807656	1	37	-2.0	-96.07	335.53	-2.44	-98.51
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019807656	1	37	-2.0	-96.10	335.59	-2.43	-98.53
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019807657	1	40	-2.0	-106.72	360.72	0.45	-106.27
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019807658	1	37	-2.0	-87.21	346.12	-2.66	-89.87
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019807658	1	37	-2.0	-87.21	346.18	-2.65	-89.86
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300019807933	0	36	-2.0	-87.37	321.18	2.41	-84.96
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300019807933	1	36	-2.0	-87.37	321.23	2.42	-84.95
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300019807933	1	36	-2.0	-87.36	321.12	2.39	-84.97
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300019807933	1	36	-2.0	-87.38	321.18	2.40	-84.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807934	0	39	-2.0	-92.56	346.05	5.27	-87.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807934	1	39	-2.0	-92.56	345.99	5.25	-87.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807934	1	39	-2.0	-92.77	345.96	5.31	-87.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807934	1	39	-2.0	-92.73	345.90	5.28	-87.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807935	0	36	-2.0	-78.08	331.55	2.21	-75.87
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807935	1	36	-2.0	-78.10	331.49	2.20	-75.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807935	1	36	-2.0	-78.06	331.50	2.19	-75.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807935	1	36	-2.0	-78.12	331.43	2.18	-75.94
O=C(NC1=CC=C(F)C(F)=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807985	0	32	-2.0	-93.64	295.80	4.44	-89.20
O=C(NC1=CC=C(F)C(F)=C1[O-])C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807985	1	32	-2.0	-93.50	295.91	4.45	-89.05
O=C(NC1=CC=C(F)C(F)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807986	0	29	-2.0	-82.25	282.86	1.30	-80.95
O=C(NC1=CC=C(F)C(F)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807986	1	29	-2.0	-82.25	282.92	1.31	-80.94
CN([N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC(C)(C)C	REAL300019808051	0	38	-2.0	-86.07	327.16	1.02	-85.05
CN([N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC(C)(C)C	REAL300019808051	1	38	-2.0	-86.10	327.23	1.03	-85.07
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019808431	0	37	-2.0	-102.85	339.14	2.09	-100.76
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019808431	1	37	-2.0	-102.84	339.20	2.08	-100.76
CCOC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CC(Cl)=C1[O-]	REAL300019808478	1	37	-2.0	-90.78	345.86	4.54	-86.24
CCOC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CC(Cl)=C1[O-]	REAL300019808478	1	37	-2.0	-90.81	345.80	4.55	-86.26
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019808756	0	37	-2.0	-95.47	345.55	2.15	-93.32
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019808756	1	37	-2.0	-94.98	346.44	2.14	-92.84
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019809228	1	40	-2.0	-102.71	361.42	2.75	-99.96
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019809228	1	40	-2.0	-103.23	360.53	2.75	-100.48
CN1C(=O)C2=CC=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C=C2[N-]C1=S	REAL300019809346	0	38	-2.0	-90.60	353.07	5.35	-85.25
CN1C(=O)C2=CC=C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C=C2[N-]C1=S	REAL300019809346	1	38	-2.0	-90.57	353.01	5.36	-85.21
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019809408	0	38	-2.0	-102.46	357.03	5.83	-96.63
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019809408	1	38	-2.0	-102.43	356.97	5.83	-96.60
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019809501	1	36	-2.0	-118.73	322.69	6.70	-112.03
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019809501	1	36	-2.0	-118.74	322.63	6.70	-112.04
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(Br)=CC=C1[O-]	REAL300019809504	1	30	-2.0	-105.83	297.90	5.07	-100.76
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(Br)=CC=C1[O-]	REAL300019809504	1	30	-2.0	-105.27	298.79	5.06	-100.21
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(Cl)=CC=C1[O-]	REAL300019809505	0	30	-2.0	-105.86	293.33	4.96	-100.90
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(Cl)=CC=C1[O-]	REAL300019809505	1	30	-2.0	-105.84	293.40	4.94	-100.90
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(Cl)C=C1[O-]	REAL300019809514	0	30	-2.0	-108.45	293.32	4.96	-103.49
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(Cl)C=C1[O-]	REAL300019809514	1	30	-2.0	-108.43	293.38	4.95	-103.48
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C([O-])C(Cl)=C1	REAL300019809515	0	30	-2.0	-89.00	294.82	3.50	-85.50
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C([O-])C(Cl)=C1	REAL300019809515	1	30	-2.0	-89.03	294.76	3.51	-85.52
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019809520	1	36	-2.0	-116.70	321.55	6.76	-109.94
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019809520	1	36	-2.0	-116.61	321.61	6.75	-109.86
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019809522	0	32	-2.0	-97.78	304.77	4.73	-93.05
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019809522	1	32	-2.0	-97.75	304.83	4.72	-93.03
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019809636	1	34	-2.0	-84.21	331.63	-1.22	-85.43
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300019809636	1	34	-2.0	-84.25	331.57	-1.21	-85.46
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019809700	0	37	-2.0	-85.99	336.68	0.27	-85.72
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019809700	1	37	-2.0	-85.93	336.74	0.26	-85.67
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019809936	1	29	-2.0	-81.55	286.57	3.97	-77.58
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019809936	1	29	-2.0	-81.49	286.63	3.96	-77.53
NC1=NC([O-])=C(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)S1	REAL300019810193	0	31	-2.0	-109.22	303.94	-1.54	-110.76
NC1=NC([O-])=C(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)S1	REAL300019810193	1	31	-2.0	-109.26	304.00	-1.55	-110.81
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019810297	1	40	-2.0	-104.43	360.67	2.98	-101.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019810297	1	40	-2.0	-104.53	360.61	2.99	-101.54
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019810359	1	35	-2.0	-94.85	323.50	1.60	-93.25
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019810359	1	35	-2.0	-94.89	323.43	1.61	-93.28
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019810511	0	41	-2.0	-118.53	360.49	3.03	-115.50
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019810511	1	41	-2.0	-115.34	361.40	3.02	-112.32
O=C(CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)[N-]C1=NN=C(C2CC2)O1	REAL300019810530	0	41	-2.0	-97.65	373.77	-1.34	-98.99
O=C(CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[N-]C1=NN=C(C2CC2)O1	REAL300019810530	1	41	-2.0	-97.61	373.83	-1.35	-98.96
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019810661	0	34	-2.0	-101.66	321.01	1.90	-99.76
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019810661	1	34	-2.0	-101.64	321.07	1.89	-99.75
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019810826	1	39	-2.0	-112.52	355.83	1.99	-110.53
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019810826	1	39	-2.0	-112.60	355.76	1.99	-110.61
CC1=CC=C(N2[N-]C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)=CC2=O)C=C1	REAL300019810996	0	40	-2.0	-95.88	360.37	5.35	-90.53
CC1=CC=C(N2[N-]C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)=CC2=O)C=C1	REAL300019810996	1	40	-2.0	-96.31	359.60	5.33	-90.98
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019811021	0	32	-2.0	-92.06	311.77	2.34	-89.72
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019811021	1	32	-2.0	-91.65	312.66	2.32	-89.33
CCN1[N-]C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CC1=O	REAL300019811033	0	33	-2.0	-92.63	307.14	2.06	-90.57
CCN1[N-]C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CC1=O	REAL300019811033	1	33	-2.0	-93.03	306.37	2.04	-90.99
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019811123	1	38	-2.0	-93.94	343.46	2.65	-91.29
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019811123	1	38	-2.0	-93.97	343.40	2.66	-91.31
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)=N2)C=C1	REAL300019811127	0	41	-2.0	-115.89	369.83	3.52	-112.37
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)=N2)C=C1	REAL300019811127	1	41	-2.0	-115.90	369.89	3.51	-112.39
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019811128	0	37	-2.0	-112.10	346.76	4.29	-107.81
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019811128	1	37	-2.0	-112.08	346.82	4.28	-107.80
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)=CC2=O)=N1	REAL300019811129	0	41	-2.0	-103.80	375.88	5.74	-98.06
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)=CC2=O)=N1	REAL300019811129	1	41	-2.0	-104.19	375.11	5.72	-98.47
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019811130	0	37	-2.0	-121.08	344.02	4.37	-116.71
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019811130	1	37	-2.0	-121.02	344.08	4.36	-116.66
O=C(CSC1=N[N-]C(=S)S1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019811220	0	29	-2.0	-84.10	318.14	2.89	-81.21
O=C(CSC1=N[N-]C(=S)S1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019811220	1	29	-2.0	-84.11	318.20	2.89	-81.22
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL300019811255	0	40	-2.0	-112.74	362.46	5.22	-107.52
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL300019811255	1	40	-2.0	-112.71	362.53	5.22	-107.49
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019811454	0	32	-2.0	-82.66	307.86	3.58	-79.08
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019811454	1	32	-2.0	-82.97	306.97	3.59	-79.38
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NNC(=O)[N-]C1=O	REAL300019811553	0	28	-2.0	-95.47	273.33	-2.77	-98.24
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NNC(=O)[N-]C1=O	REAL300019811553	1	28	-2.0	-95.46	273.39	-2.78	-98.24
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(Br)=C1[O-]	REAL300019811567	0	30	-2.0	-108.13	297.91	5.08	-103.05
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(Br)=C1[O-]	REAL300019811567	1	30	-2.0	-108.81	297.02	5.08	-103.73
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019811583	0	32	-2.0	-116.54	302.61	5.70	-110.84
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019811583	1	32	-2.0	-116.47	302.68	5.69	-110.78
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(F)=CC=C1[O-]	REAL300019811649	1	30	-2.0	-104.90	283.08	4.49	-100.41
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(F)=CC=C1[O-]	REAL300019811649	1	30	-2.0	-104.93	283.02	4.50	-100.43
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019811650	0	32	-2.0	-96.41	304.78	5.11	-91.30
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019811650	1	32	-2.0	-96.41	304.84	5.10	-91.31
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(Br)C=C1[O-]	REAL300019811651	0	30	-2.0	-108.40	297.88	5.07	-103.33
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(Br)C=C1[O-]	REAL300019811651	1	30	-2.0	-108.38	297.95	5.06	-103.32
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019811654	0	36	-2.0	-108.88	335.86	7.16	-101.72
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019811654	1	36	-2.0	-108.94	335.80	7.17	-101.77
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C([O-])C=CC=C1Cl	REAL300019811666	0	30	-2.0	-104.92	297.98	3.27	-101.65
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C([O-])C=CC=C1Cl	REAL300019811666	1	30	-2.0	-104.89	298.04	3.26	-101.63
CC1=C([O-])C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=NN1	REAL300019811764	0	30	-2.0	-112.62	282.92	0.08	-112.54
CC1=C([O-])C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=NN1	REAL300019811764	1	30	-2.0	-111.89	283.82	0.08	-111.81
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(Cl)=C1[O-]	REAL300019811913	0	30	-2.0	-109.90	292.63	4.97	-104.93
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(Cl)=C1[O-]	REAL300019811913	1	30	-2.0	-109.85	292.69	4.96	-104.89
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019811960	1	33	-2.0	-106.74	315.27	5.44	-101.30
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019811960	1	33	-2.0	-106.68	315.33	5.44	-101.24
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C([O-])C=C1F	REAL300019811964	1	30	-2.0	-92.30	283.28	3.02	-89.28
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C([O-])C(F)=C1	REAL300019812135	1	30	-2.0	-92.64	284.96	3.02	-89.62
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C([O-])C(F)=C1	REAL300019812135	1	30	-2.0	-92.58	285.02	3.02	-89.56
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NC=CC=C1[O-]	REAL300019812154	0	29	-2.0	-109.58	274.66	2.74	-106.84
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NC=CC=C1[O-]	REAL300019812154	1	29	-2.0	-109.54	274.72	2.74	-106.80
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019812162	0	35	-2.0	-86.27	341.19	1.22	-85.05
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019812162	1	35	-2.0	-86.25	341.26	1.21	-85.04
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019812163	0	34	-2.0	-86.21	315.99	2.97	-83.24
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019812163	1	34	-2.0	-86.21	316.06	2.96	-83.25
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019812164	0	30	-2.0	-87.02	300.95	3.57	-83.45
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019812164	1	30	-2.0	-86.95	301.02	3.57	-83.38
CC1=CN=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C([O-])=C1	REAL300019812174	0	32	-2.0	-111.22	296.16	3.37	-107.85
CC1=CN=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C([O-])=C1	REAL300019812174	1	32	-2.0	-111.25	296.10	3.38	-107.87
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019812186	0	38	-2.0	-91.53	342.52	1.68	-89.85
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019812186	1	38	-2.0	-91.54	342.60	1.67	-89.87
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019812230	0	32	-2.0	-92.32	304.74	4.76	-87.56
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019812230	1	32	-2.0	-92.33	304.80	4.75	-87.58
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(F)=C(F)C([O-])=C1F	REAL300019812233	0	30	-2.0	-97.47	295.61	3.13	-94.34
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(F)=C(F)C([O-])=C1F	REAL300019812233	1	30	-2.0	-96.93	296.50	3.13	-93.80
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(F)=C([O-])C(F)=C1	REAL300019812240	0	30	-2.0	-90.03	291.16	3.10	-86.93
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(F)=C([O-])C(F)=C1	REAL300019812240	1	30	-2.0	-90.04	291.22	3.08	-86.96
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019812277	0	32	-2.0	-104.11	304.76	5.11	-99.00
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019812277	1	32	-2.0	-104.04	304.82	5.10	-98.94
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019812311	0	35	-2.0	-80.63	323.95	0.84	-79.79
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019812311	1	35	-2.0	-80.60	324.01	0.83	-79.77
N#CC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1[O-]	REAL300019812399	0	31	-2.0	-97.71	298.93	3.37	-94.34
N#CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1[O-]	REAL300019812399	1	31	-2.0	-97.68	298.99	3.36	-94.32
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C([O-])C=CC=C1F	REAL300019812460	0	30	-2.0	-101.44	288.48	2.89	-98.55
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C([O-])C=CC=C1F	REAL300019812460	1	30	-2.0	-101.40	288.55	2.88	-98.52
N#CC1=CC([O-])=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019812513	1	31	-2.0	-83.64	299.63	3.30	-80.34
N#CC1=CC([O-])=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019812513	1	31	-2.0	-83.62	299.69	3.28	-80.34
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019812543	0	30	-2.0	-91.37	299.59	-0.77	-92.14
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019812543	1	30	-2.0	-91.37	299.66	-0.76	-92.13
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019812583	1	32	-2.0	-101.76	311.85	5.82	-95.94
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019812583	1	32	-2.0	-101.80	311.78	5.83	-95.97
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)=N2)=C1	REAL300019812738	0	40	-2.0	-121.10	365.10	4.87	-116.23
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)=N2)=C1	REAL300019812738	1	40	-2.0	-121.08	365.16	4.86	-116.22
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C(=O)C1=CC=C([O-])C=C1	REAL300019812792	1	32	-2.0	-89.47	299.87	2.80	-86.67
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(=O)C1=CC=C([O-])C=C1	REAL300019812792	1	32	-2.0	-89.45	299.94	2.79	-86.66
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(F)C=CC([O-])=C1F	REAL300019812873	1	30	-2.0	-96.71	294.93	2.86	-93.85
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(F)C=CC([O-])=C1F	REAL300019812873	1	30	-2.0	-96.75	294.87	2.87	-93.88
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC([O-])=CS1	REAL300019812949	0	27	-2.0	-97.50	271.00	1.87	-95.63
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC([O-])=CS1	REAL300019812949	1	27	-2.0	-97.45	271.06	1.86	-95.59
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019813025	0	32	-2.0	-95.15	311.83	2.33	-92.82
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019813025	1	32	-2.0	-95.19	311.89	2.32	-92.87
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019813068	0	37	-2.0	-114.67	346.76	4.29	-110.38
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019813068	1	37	-2.0	-114.63	346.82	4.28	-110.35
CN1[N-]C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CC1=O	REAL300019813107	0	30	-2.0	-91.57	285.41	1.13	-90.44
CN1[N-]C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CC1=O	REAL300019813107	1	30	-2.0	-91.91	284.64	1.10	-90.81
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019813109	0	35	-2.0	-117.08	319.08	5.07	-112.01
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019813109	1	35	-2.0	-117.08	319.14	5.06	-112.02
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019813304	0	37	-2.0	-114.43	357.08	4.74	-109.69
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019813304	1	37	-2.0	-114.38	357.14	4.73	-109.65
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019813431	0	35	-2.0	-92.15	322.41	2.46	-89.69
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019813431	1	35	-2.0	-92.11	322.47	2.44	-89.67
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019813537	0	37	-2.0	-117.89	339.51	4.21	-113.68
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019813537	1	37	-2.0	-117.86	339.58	4.20	-113.66
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019813643	0	35	-2.0	-109.98	330.80	-0.61	-110.59
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019813643	1	35	-2.0	-110.04	330.74	-0.60	-110.64
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019813762	0	33	-2.0	-110.32	314.05	5.47	-104.85
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019813762	1	33	-2.0	-110.27	314.11	5.47	-104.80
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019813766	0	35	-2.0	-100.21	328.02	2.69	-97.52
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019813766	1	35	-2.0	-100.13	328.08	2.68	-97.45
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019813855	0	32	-2.0	-106.14	319.33	6.21	-99.93
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019813855	1	32	-2.0	-105.53	320.22	6.21	-99.32
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019813886	1	35	-2.0	-122.93	317.37	4.90	-118.03
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019813886	1	35	-2.0	-122.88	317.43	4.89	-117.99
O=C(CCCC1=N[N-]N=N1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019813912	0	33	-2.0	-99.25	304.79	1.86	-97.39
O=C(CCCC1=N[N-]N=N1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019813912	1	33	-2.0	-99.32	304.73	1.87	-97.45
O=C(CCCC1=NN=N[N-]1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019813912	1	33	-2.0	-99.28	304.85	1.88	-97.40
O=C(CCCC1=NN=N[N-]1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019813912	1	33	-2.0	-99.33	304.79	1.89	-97.44
O=C(CCC1=N[N-]N=N1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019813945	0	30	-2.0	-87.68	283.29	1.07	-86.61
O=C(CCC1=N[N-]N=N1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019813945	1	30	-2.0	-87.67	283.23	1.09	-86.58
O=C(CCC1=NN=N[N-]1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019813945	1	30	-2.0	-87.66	283.35	1.10	-86.56
O=C(CCC1=NN=N[N-]1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019813945	1	30	-2.0	-87.71	283.29	1.10	-86.61
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C[N-]N=CC1=O	REAL300019815277	0	28	-2.0	-82.93	266.01	1.56	-81.37
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C[N-]N=CC1=O	REAL300019815277	1	28	-2.0	-82.89	266.07	1.55	-81.34
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)=C2)O1	REAL300019815281	0	39	-2.0	-108.96	359.94	5.99	-102.97
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)=C2)O1	REAL300019815281	1	39	-2.0	-108.91	360.00	5.98	-102.93
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019815316	0	34	-2.0	-89.40	346.22	3.22	-86.18
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815316	1	34	-2.0	-89.38	346.28	3.21	-86.17
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019815333	0	30	-2.0	-102.08	309.35	5.48	-96.60
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019815333	1	30	-2.0	-101.48	310.24	5.48	-96.00
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019815342	0	35	-2.0	-123.61	319.07	5.96	-117.65
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019815342	1	35	-2.0	-123.60	319.13	5.96	-117.64
CC(C)CN1[N-]C(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CC1=O	REAL300019815439	0	42	-2.0	-106.03	367.71	4.30	-101.73
CC(C)CN1[N-]C(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CC1=O	REAL300019815439	1	42	-2.0	-106.00	367.77	4.28	-101.72
COC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CC([N+](=O)[O-])=C1[O-]	REAL300019815507	0	36	-2.0	-88.82	333.91	4.57	-84.25
COC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CC([N+](=O)[O-])=C1[O-]	REAL300019815507	1	36	-2.0	-88.82	333.97	4.56	-84.26
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019815508	0	30	-2.0	-110.17	298.96	5.01	-105.16
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019815508	1	30	-2.0	-110.13	299.03	5.00	-105.13
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(F)C([O-])=C1	REAL300019815546	1	30	-2.0	-102.55	285.00	2.98	-99.57
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(F)C([O-])=C1	REAL300019815546	1	30	-2.0	-102.46	285.06	2.99	-99.47
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(Cl)C([O-])=C1	REAL300019815549	0	30	-2.0	-98.77	294.80	3.48	-95.29
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(Cl)C([O-])=C1	REAL300019815549	1	30	-2.0	-98.74	294.86	3.46	-95.28
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)O2)[N-]1	REAL300019815665	1	36	-2.0	-85.99	340.20	3.27	-82.72
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)O2)[N-]1	REAL300019815665	1	36	-2.0	-85.98	340.26	3.26	-82.72
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(F)=C1[O-]	REAL300019815698	0	30	-2.0	-115.44	282.83	4.50	-110.94
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(F)=C1[O-]	REAL300019815698	1	30	-2.0	-115.41	282.89	4.50	-110.91
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(F)=CC(F)=C1[O-]	REAL300019815721	0	30	-2.0	-105.13	289.23	4.57	-100.56
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(F)=CC(F)=C1[O-]	REAL300019815721	1	30	-2.0	-105.06	289.29	4.56	-100.50
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C([O-])C=CC2=CC=CC=C21	REAL300019815767	1	36	-2.0	-113.23	328.32	5.04	-108.19
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C([O-])C=CC2=CC=CC=C21	REAL300019815767	1	36	-2.0	-113.27	328.26	5.05	-108.22
CCOC(=O)C1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N[N-]1	REAL300019815832	0	35	-2.0	-89.57	330.49	2.76	-86.81
CCOC(=O)C1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N[N-]1	REAL300019815832	1	35	-2.0	-89.97	329.59	2.76	-87.21
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019815832	1	35	-2.0	-89.83	329.68	2.76	-87.07
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019815832	1	35	-2.0	-89.88	329.62	2.77	-87.11
CC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CC([N+](=O)[O-])=C1[O-]	REAL300019816112	0	35	-2.0	-85.90	324.77	5.47	-80.43
CC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CC([N+](=O)[O-])=C1[O-]	REAL300019816112	1	35	-2.0	-85.83	324.82	5.46	-80.37
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(F)C([O-])=C1F	REAL300019816117	0	30	-2.0	-106.46	289.34	3.07	-103.39
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(F)C([O-])=C1F	REAL300019816117	1	30	-2.0	-105.88	290.23	3.07	-102.81
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019816132	0	33	-2.0	-85.90	311.37	4.18	-81.72
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019816132	1	33	-2.0	-86.10	310.42	4.17	-81.93
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N[N-]1	REAL300019816164	0	41	-2.0	-91.72	362.61	3.88	-87.84
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N[N-]1	REAL300019816164	1	41	-2.0	-91.30	363.51	3.88	-87.42
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019816164	1	41	-2.0	-91.57	362.64	3.89	-87.68
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019816164	1	41	-2.0	-91.55	362.71	3.88	-87.67
N#CC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C(=O)[N-]1	REAL300019816299	0	30	-2.0	-83.51	291.61	1.43	-82.08
N#CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C(=O)[N-]1	REAL300019816299	1	30	-2.0	-83.49	291.68	1.42	-82.07
CN1C(=S)[N-]N=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019816662	1	29	-2.0	-84.04	286.11	3.51	-80.53
CN1C(=S)[N-]N=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019816662	1	29	-2.0	-84.02	286.17	3.51	-80.51
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019816687	0	38	-2.0	-119.46	347.08	0.33	-119.13
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019816687	1	38	-2.0	-118.66	347.94	0.34	-118.32
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019816860	1	34	-2.0	-91.51	320.23	0.21	-91.30
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019816860	1	34	-2.0	-91.40	320.29	0.20	-91.20
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC(C3=N[N-]N=N3)=CC=C1F)=C2	REAL300019816919	1	36	-2.0	-98.76	340.43	3.35	-95.41
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC(C3=NN=N[N-]3)=CC=C1F)=C2	REAL300019816919	1	36	-2.0	-98.76	340.50	3.34	-95.42
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019817041	0	35	-2.0	-90.12	335.35	3.64	-86.48
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019817041	1	35	-2.0	-90.03	335.41	3.64	-86.39
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019817106	0	30	-2.0	-101.06	299.15	5.01	-96.05
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019817106	1	30	-2.0	-101.04	299.21	5.00	-96.04
O=C([N-]NC(=O)C1=CC=NN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019818219	0	30	-2.0	-89.02	291.14	-1.68	-90.70
O=C([N-]NC(=O)C1=CC=NN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019818219	1	30	-2.0	-89.01	291.21	-1.68	-90.69
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NC=CC=N1	REAL300019818244	0	33	-2.0	-116.47	307.60	1.73	-114.74
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NC=CC=N1	REAL300019818244	1	33	-2.0	-116.31	307.69	1.75	-114.56
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CC=N1	REAL300019818245	0	30	-2.0	-97.84	293.88	-1.34	-99.18
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CC=N1	REAL300019818245	1	30	-2.0	-97.84	293.81	-1.34	-99.18
O=C(NC1=CC(F)=CC(F)=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019818332	1	32	-2.0	-95.75	296.75	4.41	-91.34
O=C(NC1=CC(F)=CC(F)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019818333	1	29	-2.0	-80.32	282.97	1.30	-79.02
O=C(NC1=CC(F)=CC(F)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019818333	1	29	-2.0	-80.31	283.03	1.31	-79.00
O=C(CCCC1=N[N-]N=N1)N1C2=CC=CC=C2CC1C[N-]C(=O)C(F)(F)F	REAL300019818408	1	42	-2.0	-100.42	363.78	4.99	-95.43
O=C(CCCC1=NN=N[N-]1)N1C2=CC=CC=C2CC1C[N-]C(=O)C(F)(F)F	REAL300019818408	1	42	-2.0	-100.46	363.84	5.01	-95.45
O=C([N-]NC(=O)C1CCCS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019818497	0	33	-2.0	-94.93	310.01	0.51	-94.42
O=C([N-]NC(=O)C1CCCS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019818497	1	33	-2.0	-94.90	310.08	0.51	-94.39
CC(C)(C)C(NC(=O)CCCC1=N[N-]N=N1)C1=NC(=O)O[N-]1	REAL300019818791	0	39	-2.0	-84.05	320.21	0.24	-83.81
CC(C)(C)C(NC(=O)CCCC1=NN=N[N-]1)C1=NC(=O)O[N-]1	REAL300019818791	1	39	-2.0	-84.06	320.26	0.26	-83.80
CC(C)(C)C(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NC(=O)O[N-]1	REAL300019818792	0	42	-2.0	-88.70	344.55	3.15	-85.55
CC(C)(C)C(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NC(=O)O[N-]1	REAL300019818792	1	42	-2.0	-88.55	344.66	3.19	-85.36
CC(C)(C)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC(=O)O[N-]1	REAL300019818793	0	39	-2.0	-79.28	330.77	0.05	-79.23
CC(C)(C)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC(=O)O[N-]1	REAL300019818793	1	39	-2.0	-79.23	330.83	0.06	-79.17
CC1OCCC1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019818970	0	36	-2.0	-92.83	316.16	-1.16	-93.99
CC1OCCC1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019818970	1	36	-2.0	-92.83	316.23	-1.15	-93.98
CC1=CC(CC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL300019819054	0	35	-2.0	-99.33	326.59	-1.13	-100.46
CC1=NNC(CC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019819054	1	35	-2.0	-93.03	327.44	-1.23	-94.26
O=C(CC(F)(F)F)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819056	0	28	-2.0	-89.51	283.00	-0.70	-90.21
O=C(CC(F)(F)F)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819056	1	28	-2.0	-89.55	283.07	-0.70	-90.25
CN(CC1=NC(=O)O[N-]1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019819102	0	33	-2.0	-115.73	294.63	2.35	-113.38
CN(CC1=NC(=O)O[N-]1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019819102	1	33	-2.0	-115.54	294.72	2.37	-113.17
CN(CC1=NC(=O)O[N-]1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819103	0	30	-2.0	-83.53	280.50	0.24	-83.29
CN(CC1=NC(=O)O[N-]1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819103	1	30	-2.0	-83.42	280.57	0.26	-83.16
CSC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CC(=O)[N-]1	REAL300019819232	1	34	-2.0	-89.84	318.25	-0.49	-90.33
CSC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CC(=O)[N-]1	REAL300019819232	1	34	-2.0	-89.85	318.30	-0.47	-90.32
CSC1=NC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CC(=O)[N-]1	REAL300019819233	1	37	-2.0	-94.98	342.62	2.41	-92.57
CSC1=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(=O)[N-]1	REAL300019819234	1	34	-2.0	-81.57	328.84	-0.70	-82.27
CSC1=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(=O)[N-]1	REAL300019819234	1	34	-2.0	-81.54	328.91	-0.69	-82.23
CCOC(=O)C1=C(C)N=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019819342	1	36	-2.0	-87.51	329.43	2.60	-84.91
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300019819360	1	41	-2.0	-89.68	341.39	2.12	-87.56
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300019819360	1	41	-2.0	-89.68	341.45	2.14	-87.54
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019819361	1	44	-2.0	-90.46	362.87	4.56	-85.90
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019819361	1	44	-2.0	-93.02	362.90	4.60	-88.42
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819362	0	41	-2.0	-78.83	349.81	2.24	-76.59
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819362	1	41	-2.0	-78.78	349.89	2.24	-76.54
N#CC1=C(C#N)[N-]C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL300019819370	0	30	-2.0	-93.40	297.65	5.88	-87.52
N#CC1=C(C#N)[N-]C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=N1	REAL300019819370	1	30	-2.0	-93.25	297.71	5.90	-87.35
N#CC1=C(C#N)[N-]C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019819371	0	27	-2.0	-70.17	283.49	2.78	-67.39
N#CC1=C(C#N)[N-]C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300019819371	1	27	-2.0	-70.19	283.57	2.79	-67.40
O=C([N-]NC(=S)NCC1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819459	0	37	-2.0	-79.41	339.22	2.61	-76.80
O=C([N-]NC(=S)NCC1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819459	1	37	-2.0	-79.37	339.28	2.61	-76.76
O=C([N-]C1=NN=C(C2CC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819511	0	30	-2.0	-89.60	296.48	1.80	-87.80
CC(NC(=S)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300019819527	0	37	-2.0	-79.95	341.42	2.77	-77.18
CC(NC(=S)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300019819527	1	37	-2.0	-79.97	341.48	2.77	-77.20
CCO[N-]C(=O)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019819999	0	35	-2.0	-97.72	313.22	2.34	-95.38
CCO[N-]C(=O)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019819999	1	35	-2.0	-97.59	313.28	2.37	-95.22
CN1C=C([C@@H]2OCCC[C@H]2C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300019820093	0	46	-2.0	-92.12	395.55	0.41	-91.71
CN1C=C([C@@H]2OCCC[C@H]2C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300019820093	1	46	-2.0	-92.10	395.61	0.41	-91.69
O=C([N-]NC(=O)C1CC2CCC1O2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019820218	0	37	-2.0	-97.03	323.65	-0.68	-97.71
O=C([N-]NC(=O)C1CC2CCC1O2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019820218	1	37	-2.0	-97.01	323.72	-0.68	-97.69
CC(C)CC1=NSC([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019820292	0	35	-2.0	-82.52	323.82	2.27	-80.25
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=CC=C2)S1	REAL300019820356	0	36	-2.0	-99.35	334.56	4.11	-95.24
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=CC=C2)S1	REAL300019820356	1	36	-2.0	-99.33	334.62	4.13	-95.20
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019820358	0	36	-2.0	-89.17	346.51	3.96	-85.21
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019820358	1	36	-2.0	-89.23	346.57	3.97	-85.26
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300019820694	0	33	-2.0	-95.12	344.70	4.37	-90.75
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300019820694	1	33	-2.0	-95.13	344.76	4.38	-90.75
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NNC=C1	REAL300019820786	1	32	-2.0	-115.97	297.15	0.76	-115.21
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NNC=C1	REAL300019820786	1	32	-2.0	-115.59	297.62	0.75	-114.84
CN1C=C(C(=O)[N-]NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N=N1	REAL300019820889	0	34	-2.0	-115.61	315.46	0.62	-114.99
CN1C=C(C(=O)[N-]NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N=N1	REAL300019820889	1	34	-2.0	-115.27	315.93	0.60	-114.67
CN1C=C(C(=O)[N-]NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL300019820890	0	31	-2.0	-94.02	301.77	-2.46	-96.48
CN1C=C(C(=O)[N-]NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL300019820890	1	31	-2.0	-94.05	301.70	-2.47	-96.52
CC(C)CCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019820906	0	38	-2.0	-98.42	335.21	3.17	-95.25
CC(C)CCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019820906	1	38	-2.0	-98.39	335.27	3.19	-95.20
CC(C)CCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019820908	0	38	-2.0	-88.23	347.16	3.01	-85.22
CC1CN(C)CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300019820938	0	41	-2.0	-94.09	356.91	-1.60	-95.69
CC1CN(C)CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300019820938	1	41	-2.0	-94.09	356.97	-1.60	-95.69
CC(C)(C)C(=O)NCCCC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821027	0	47	-2.0	-93.77	406.62	0.05	-93.72
CC(C)(C)C(=O)NCCCC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821027	1	47	-2.0	-93.77	406.69	0.05	-93.72
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=CC(Cl)=N1	REAL300019821028	0	31	-2.0	-102.38	304.46	0.10	-102.28
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=CC(Cl)=N1	REAL300019821028	1	31	-2.0	-102.40	304.52	0.11	-102.29
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC(Cl)=N1	REAL300019821029	0	34	-2.0	-113.95	328.80	2.97	-110.98
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CC(Cl)=N1	REAL300019821029	1	34	-2.0	-113.64	329.28	2.96	-110.68
O=C([N-]NC(=O)C1=CC=CC(Cl)=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821030	0	31	-2.0	-97.51	315.06	-0.11	-97.62
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(Cl)=N1	REAL300019821030	1	31	-2.0	-93.20	315.05	-0.11	-93.31
CC1(C2=NSC([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=N2)CC1	REAL300019821574	0	33	-2.0	-84.22	313.45	2.51	-81.71
CC1(C2=NSC([N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=N2)CC1	REAL300019821574	1	33	-2.0	-84.18	313.51	2.52	-81.66
CC1C(=O)N([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)N1C	REAL300019821621	0	33	-2.0	-101.55	304.19	1.06	-100.49
CC1C(=O)N([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)N1C	REAL300019821621	1	33	-2.0	-101.57	304.26	1.06	-100.51
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=C([O-])C2=CC=CC=C12	REAL300019821669	1	35	-2.0	-101.07	318.87	4.29	-96.78
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=C([O-])C2=CC=CC=C12	REAL300019821669	1	35	-2.0	-101.10	318.93	4.31	-96.79
O=C(NC1=CC(Cl)=C([O-])C2=CC=CC=C12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821670	1	35	-2.0	-82.82	329.46	4.08	-78.74
O=C(NC1=CC(Cl)=C([O-])C2=CC=CC=C12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821670	1	35	-2.0	-82.85	329.53	4.10	-78.75
CSCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL300019821671	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	REAL300019821671	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	REAL300019821671	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	REAL300019821671	1	36	-2.0	-96.68	330.22	0.96	-95.72
CSCC[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN=N[N-]1	REAL300019821672	0	39	-2.0	-104.92	354.53	3.87	-101.05
CSCC[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=N[N-]N=N1	REAL300019821672	1	39	-2.0	-104.99	354.47	3.86	-101.13
CSCC[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN=N[N-]1	REAL300019821672	1	39	-2.0	-104.76	354.63	3.88	-100.88
CSCC[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=N[N-]N=N1	REAL300019821672	1	39	-2.0	-104.79	354.57	3.87	-100.92
CSCC[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=N[N-]N=N1	REAL300019821673	0	36	-2.0	-82.48	340.69	0.74	-81.74
CSCC[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=N[N-]N=N1	REAL300019821673	1	36	-2.0	-82.42	340.76	0.74	-81.68
CSCC[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN=N[N-]1	REAL300019821673	1	36	-2.0	-82.47	340.75	0.75	-81.72
CSCC[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN=N[N-]1	REAL300019821673	1	36	-2.0	-82.42	340.82	0.75	-81.67
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2[N-]C(C3CC3)=CC2=O)N=C1	REAL300019821680	0	42	-2.0	-100.31	367.13	4.76	-95.55
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2[N-]C(C3CC3)=CC2=O)N=C1	REAL300019821680	1	42	-2.0	-100.31	367.08	4.74	-95.57
O=C(NC1=CC=C(N2[N-]C(C3CC3)=CC2=O)N=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821681	0	42	-2.0	-85.90	377.75	4.55	-81.35
O=C(NC1=CC=C(N2[N-]C(C3CC3)=CC2=O)N=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821681	1	42	-2.0	-85.91	377.68	4.54	-81.37
N#CC1=CN(CCNC(=O)CCCC2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019821755	0	35	-2.0	-100.53	326.47	-1.58	-102.11
N#CC1=CN(CCNC(=O)CCCC2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019821755	1	35	-2.0	-100.54	326.53	-1.56	-102.10
N#CC1=CN(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(=O)[N-]C1=O	REAL300019821756	0	38	-2.0	-108.58	350.81	1.34	-107.24
N#CC1=CN(CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(=O)[N-]C1=O	REAL300019821756	1	38	-2.0	-106.98	351.29	1.33	-105.65
N#CC1=CN(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[N-]C1=O	REAL300019821757	0	35	-2.0	-85.74	337.06	-1.78	-87.52
N#CC1=CN(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[N-]C1=O	REAL300019821757	1	35	-2.0	-85.70	337.13	-1.77	-87.47
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C=CC2=CC=CO2)S1	REAL300019821887	0	34	-2.0	-98.59	328.26	3.05	-95.54
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C=CC2=CC=CO2)S1	REAL300019821887	1	34	-2.0	-98.61	328.32	3.07	-95.54
O=C([N-]C1=NN=C(C=CC2=CC=CO2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821889	0	34	-2.0	-89.70	339.70	2.75	-86.95
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300019822115	0	36	-2.0	-98.05	340.97	4.19	-93.86
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300019822115	1	36	-2.0	-98.01	341.03	4.20	-93.81
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019822117	0	36	-2.0	-87.99	352.92	4.03	-83.96
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019822117	1	36	-2.0	-88.01	352.99	4.04	-83.97
O=C([N-]NC(=O)C1CCC(=O)N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019822241	0	33	-2.0	-93.66	307.89	-3.22	-96.88
O=C([N-]NC(=O)C1CCC(=O)N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019822241	1	33	-2.0	-93.68	307.96	-3.23	-96.91
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019822245	1	41	-2.0	-99.13	347.77	1.97	-97.16
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019822245	1	41	-2.0	-99.22	347.83	1.98	-97.24
C[C@@H]1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019822246	1	44	-2.0	-117.72	369.89	4.54	-113.18
C[C@@H]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019822246	1	44	-2.0	-116.87	369.69	4.47	-112.40
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019822247	0	41	-2.0	-81.73	356.01	2.18	-79.55
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019822247	1	41	-2.0	-81.69	356.07	2.20	-79.49
CC1=CSC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019822290	0	32	-2.0	-94.54	314.75	0.84	-93.70
CC1=CSC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019822290	1	32	-2.0	-94.52	314.82	0.85	-93.67
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC(F)=N1	REAL300019822302	0	34	-2.0	-115.57	318.36	2.50	-113.07
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CC(F)=N1	REAL300019822302	1	34	-2.0	-115.18	318.83	2.48	-112.70
O=C([N-]NC(=O)C1=CC=CC(F)=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019822303	0	31	-2.0	-98.43	304.61	-0.59	-99.02
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(F)=N1	REAL300019822303	1	31	-2.0	-94.09	304.67	-0.58	-94.67
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(F)=N1	REAL300019822303	1	31	-2.0	-94.13	304.60	-0.59	-94.72
O=C([N-]NC(=O)OCC(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019822417	0	29	-2.0	-81.32	297.58	-1.17	-82.49
O=C([N-]NC(=O)OCC(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019822417	1	29	-2.0	-81.34	297.65	-1.17	-82.51
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C1=N[N-]N=N1	REAL300019822472	1	37	-2.0	-88.72	336.54	4.93	-83.79
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C1=NN=N[N-]1	REAL300019822472	1	37	-2.0	-88.79	336.40	4.93	-83.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)C=C1C	REAL300019822525	1	43	-2.0	-96.00	369.06	6.07	-89.93
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)C=C1C	REAL300019822525	1	43	-2.0	-96.06	368.92	6.08	-89.98
CN(C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300019822534	1	37	-2.0	-98.49	337.20	4.92	-93.57
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)=C1C	REAL300019822539	1	43	-2.0	-91.20	367.67	6.17	-85.03
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)=C1C	REAL300019822539	1	43	-2.0	-91.27	367.53	6.17	-85.10
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1)C1=N[N-]N=N1	REAL300019822556	1	37	-2.0	-92.03	343.51	4.99	-87.04
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)=C1)C1=NN=N[N-]1	REAL300019822556	1	37	-2.0	-92.09	343.37	4.97	-87.12
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)C=C1C	REAL300019822591	1	43	-2.0	-92.30	369.15	6.08	-86.22
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)C=C1C	REAL300019822591	1	43	-2.0	-92.34	369.01	6.08	-86.26
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)=C1	REAL300019822618	1	43	-2.0	-98.87	368.42	6.33	-92.54
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)=C1	REAL300019822618	1	43	-2.0	-98.89	368.28	6.33	-92.56
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1)C1=N[N-]N=N1	REAL300019822620	1	37	-2.0	-86.66	343.34	4.99	-81.67
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1)C1=NN=N[N-]1	REAL300019822620	1	37	-2.0	-86.69	343.20	5.00	-81.69
CN(C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1)C1=N[N-]N=N1	REAL300019822622	1	37	-2.0	-99.92	347.52	5.38	-94.54
CN(C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1)C1=NN=N[N-]1	REAL300019822622	1	37	-2.0	-100.04	347.38	5.37	-94.67
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019822623	0	41	-2.0	-108.61	360.01	4.20	-104.41
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019822623	1	41	-2.0	-108.67	359.87	4.18	-104.49
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019822698	1	37	-2.0	-94.95	330.13	4.86	-90.09
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019822698	1	37	-2.0	-95.00	329.99	4.86	-90.14
CN(C(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019822704	0	30	-2.0	-110.23	291.27	1.52	-108.71
CN(C(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019822704	1	30	-2.0	-110.22	291.13	1.55	-108.67
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019822705	1	37	-2.0	-100.82	329.91	4.85	-95.97
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019822705	1	37	-2.0	-100.86	329.77	4.85	-96.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)C=C1F	REAL300019822862	1	40	-2.0	-98.22	357.52	5.57	-92.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)C=C1F	REAL300019822862	1	40	-2.0	-98.30	357.39	5.56	-92.74
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)C=C1)C1=N[N-]N=N1	REAL300019822863	1	37	-2.0	-84.87	347.04	5.38	-79.49
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(Cl)C=C2)C=C1)C1=NN=N[N-]1	REAL300019822863	1	37	-2.0	-84.89	346.90	5.37	-79.52
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1)C1=N[N-]N=N1	REAL300019822924	0	34	-2.0	-91.54	340.51	4.50	-87.04
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1)C1=NN=N[N-]1	REAL300019822924	1	34	-2.0	-91.61	340.36	4.50	-87.11
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)=CC=C1F	REAL300019822925	1	40	-2.0	-89.06	357.36	5.57	-83.49
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)=CC=C1F	REAL300019822925	1	40	-2.0	-89.17	357.22	5.57	-83.60
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019822932	0	41	-2.0	-93.78	359.99	4.21	-89.57
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019822932	1	41	-2.0	-93.80	359.85	4.20	-89.60
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)C=C1	REAL300019822933	1	41	-2.0	-88.94	359.83	4.15	-84.79
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)C=C1	REAL300019822933	1	41	-2.0	-89.00	359.68	4.14	-84.86
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C3=N[N-]N=N3)=C2)=C1	REAL300019822936	1	40	-2.0	-105.83	352.18	5.53	-100.30
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N(C)C3=NN=N[N-]3)=C2)=C1	REAL300019822936	1	40	-2.0	-105.87	352.04	5.53	-100.34
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1=N[N-]N=N1	REAL300019823000	0	34	-2.0	-96.66	323.45	3.88	-92.78
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1=NN=N[N-]1	REAL300019823000	1	34	-2.0	-96.76	323.31	3.89	-92.87
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)C=C1	REAL300019823011	1	40	-2.0	-90.54	351.71	5.53	-85.01
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)C=C1	REAL300019823011	1	40	-2.0	-90.58	351.56	5.53	-85.05
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300019823012	1	37	-2.0	-89.90	330.30	4.86	-85.04
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300019823012	1	37	-2.0	-89.92	330.16	4.85	-85.07
CN(C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300019823067	0	30	-2.0	-96.14	280.37	1.94	-94.20
CN(C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300019823067	1	30	-2.0	-96.18	280.23	1.94	-94.24
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019823189	0	41	-2.0	-110.97	357.07	4.39	-106.58
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019823189	1	41	-2.0	-110.89	357.21	4.38	-106.51
CN(C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300019823190	0	37	-2.0	-110.83	344.10	5.16	-105.67
CN(C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL300019823190	1	37	-2.0	-110.86	343.96	5.18	-105.68
CN(C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019823228	0	37	-2.0	-106.18	344.45	5.60	-100.58
CN(C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019823228	1	37	-2.0	-106.28	344.31	5.61	-100.67
CN(C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019823239	0	37	-2.0	-105.54	333.98	5.15	-100.39
CN(C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300019823239	1	37	-2.0	-105.54	334.13	5.15	-100.39
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019823240	0	43	-2.0	-112.52	368.96	6.48	-106.04
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019823240	1	43	-2.0	-112.44	369.10	6.47	-105.97
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019823242	0	40	-2.0	-104.29	349.48	5.92	-98.37
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019823242	1	40	-2.0	-104.20	349.63	5.91	-98.29
CN(C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300019823243	0	37	-2.0	-102.62	344.89	5.15	-97.47
CN(C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300019823243	1	37	-2.0	-102.64	344.75	5.17	-97.47
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)=CC=C1F	REAL300019823245	0	40	-2.0	-106.57	354.45	5.78	-100.79
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)=CC=C1F	REAL300019823245	1	40	-2.0	-106.61	354.31	5.79	-100.82
COCCCN1C(=O)C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019823246	0	41	-2.0	-83.28	360.52	6.02	-77.26
COCCCN1C(=O)C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019823246	1	41	-2.0	-83.34	360.39	6.01	-77.33
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019823467	1	40	-2.0	-91.85	353.41	5.72	-86.13
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N(C)C3=N[N-]N=N3)=CC=C2C)=C1	REAL300019823581	1	43	-2.0	-105.53	368.51	6.34	-99.19
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1)C1=N[N-]N=N1	REAL300019823583	1	37	-2.0	-84.59	336.73	4.93	-79.66
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1)C1=NN=N[N-]1	REAL300019823583	1	37	-2.0	-84.61	336.59	4.92	-79.69
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019823584	1	40	-2.0	-89.93	350.70	5.63	-84.30
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019823584	1	40	-2.0	-89.99	350.55	5.63	-84.36
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019823595	1	33	-2.0	-104.12	295.20	2.54	-101.58
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019823595	1	33	-2.0	-104.04	295.35	2.54	-101.50
CSC1=NC(C)=C(CCC(=O)N(C)C2=N[N-]N=N2)C(=O)[N-]1	REAL300019823610	1	34	-2.0	-97.40	306.70	3.35	-94.05
CSC1=NC(C)=C(CCC(=O)N(C)C2=NN=N[N-]2)C(=O)[N-]1	REAL300019823610	1	34	-2.0	-97.40	306.56	3.39	-94.01
C=CCN1C(=O)C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019823731	0	35	-2.0	-82.21	318.48	6.76	-75.45
C=CCN1C(=O)C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019823731	1	35	-2.0	-82.14	318.62	6.76	-75.38
CN(C(=O)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019823733	0	38	-2.0	-89.18	341.43	7.18	-82.00
CN(C(=O)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019823733	1	38	-2.0	-89.23	341.29	7.17	-82.06
CN(C(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019823734	0	31	-2.0	-80.88	284.09	5.14	-75.74
CN(C(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019823734	1	31	-2.0	-80.85	284.23	5.14	-75.71
CN(C(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300019823751	1	29	-2.0	-106.47	288.05	6.64	-99.83
CN(C(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300019823751	1	29	-2.0	-106.55	287.91	6.66	-99.89
CN(C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300019823787	0	36	-2.0	-109.03	316.56	4.14	-104.89
CN(C(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300019823787	1	36	-2.0	-108.95	316.71	4.14	-104.81
CN(C(=O)CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019823801	1	32	-2.0	-104.66	312.19	7.98	-96.68
CN(C(=O)CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019823801	1	32	-2.0	-104.72	312.06	7.99	-96.73
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019823802	1	35	-2.0	-109.56	316.87	8.13	-101.43
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019823802	1	35	-2.0	-109.59	316.74	8.15	-101.44
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019823803	1	39	-2.0	-94.46	344.60	7.36	-87.10
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019823803	1	39	-2.0	-94.52	344.47	7.39	-87.13
CN(C(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL300019823804	0	31	-2.0	-105.12	290.04	6.05	-99.07
CN(C(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL300019823804	1	31	-2.0	-105.17	289.90	6.08	-99.09
CN(C(=O)CCCCCN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL300019823805	0	43	-2.0	-97.89	375.11	8.93	-88.96
CN(C(=O)CCCCCN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL300019823805	1	43	-2.0	-97.93	374.98	8.95	-88.98
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019823834	1	38	-2.0	-94.10	336.50	8.73	-85.37
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019823834	1	38	-2.0	-94.11	336.36	8.75	-85.36
CCN1C(=O)C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019823835	0	34	-2.0	-81.43	305.22	6.20	-75.23
CCN1C(=O)C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019823835	1	34	-2.0	-81.41	305.35	6.20	-75.21
CN(C(=O)CCN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL300019823851	0	34	-2.0	-95.56	310.61	6.55	-89.01
CN(C(=O)CCN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL300019823851	1	34	-2.0	-95.60	310.48	6.58	-89.02
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019823893	1	36	-2.0	-107.60	324.91	6.76	-100.84
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019823893	1	36	-2.0	-108.99	324.77	6.78	-102.21
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019823894	1	35	-2.0	-109.62	316.54	8.11	-101.51
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019823894	1	35	-2.0	-109.70	316.41	8.13	-101.57
CN(C(=O)C1=CC(S(=O)(=O)NCC2=CC=CC=C2)=CC=C1[O-])C1=N[N-]N=N1	REAL300019823939	0	41	-2.0	-111.67	364.44	4.30	-107.37
CN(C(=O)C1=CC(S(=O)(=O)NCC2=CC=CC=C2)=CC=C1[O-])C1=NN=N[N-]1	REAL300019823939	1	41	-2.0	-111.70	364.30	4.31	-107.39
CN(C(=O)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])C1=N[N-]N=N1	REAL300019823945	0	38	-2.0	-110.89	332.78	2.78	-108.11
CN(C(=O)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])C1=NN=N[N-]1	REAL300019823945	1	38	-2.0	-110.87	332.64	2.79	-108.08
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1O)C1=N[N-]N=N1	REAL300019823947	0	35	-2.0	-94.81	330.71	2.26	-92.55
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1O)C1=NN=N[N-]1	REAL300019823947	1	35	-2.0	-94.88	330.57	2.27	-92.61
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1[O-])C1=N[N-]N=N1	REAL300019823947	1	34	-3.0	-193.69	331.60	2.52	-191.17
CN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1[O-])C1=NN=N[N-]1	REAL300019823947	1	34	-3.0	-193.77	331.46	2.52	-191.25
CN(C(=O)C1=CC(Br)=CC(Br)=C1[O-])C1=N[N-]N=N1	REAL300019823948	0	23	-2.0	-101.09	248.64	5.53	-95.56
CN(C(=O)C1=CC(Br)=CC(Br)=C1[O-])C1=NN=N[N-]1	REAL300019823948	1	23	-2.0	-101.17	248.50	5.53	-95.64
CN(C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1=N[N-]N=N1	REAL300019824041	0	37	-2.0	-107.96	350.37	4.93	-103.03
CN(C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C1=NN=N[N-]1	REAL300019824041	1	37	-2.0	-107.99	350.23	4.96	-103.03
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)[N-]1	REAL300019824063	0	39	-2.0	-93.06	341.97	5.99	-87.07
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)[N-]1	REAL300019824063	1	39	-2.0	-93.11	341.83	5.99	-87.12
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C1=N[N-]N=N1	REAL300019824069	1	36	-2.0	-84.68	318.08	1.56	-83.12
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C1=NN=N[N-]1	REAL300019824069	1	36	-2.0	-84.69	317.93	1.58	-83.11
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C1=N[N-]N=N1	REAL300019824096	0	36	-2.0	-86.33	325.80	3.09	-83.24
CN(C(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=NN=N[N-]1	REAL300019824129	0	30	-2.0	-87.89	268.37	0.17	-87.72
CN(C(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=N[N-]N=N1	REAL300019824129	1	30	-2.0	-87.83	268.52	0.17	-87.66
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL300019824236	0	34	-2.0	-98.77	323.61	3.89	-94.88
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL300019824236	1	34	-2.0	-98.86	323.47	3.87	-94.99
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019824391	1	36	-2.0	-106.10	312.30	3.60	-102.50
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019824391	1	36	-2.0	-106.05	312.44	3.60	-102.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019824617	1	33	-2.0	-105.61	290.80	2.81	-102.80
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019824617	1	33	-2.0	-105.55	290.94	2.81	-102.74
CC(C(=O)N(C)C1=N[N-]N=N1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019824635	1	32	-2.0	-113.82	294.09	6.42	-107.40
CC(C(=O)N(C)C1=NN=N[N-]1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019824635	1	32	-2.0	-113.86	293.95	6.44	-107.42
CN(C(=O)C1=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=CS1)C1=N[N-]N=N1	REAL300019824639	0	34	-2.0	-119.21	320.47	2.61	-116.60
CN(C(=O)C1=C(S(=O)(=O)[N-]C2=CN(C)N=C2)C=CS1)C1=NN=N[N-]1	REAL300019824639	1	34	-2.0	-119.34	320.33	2.62	-116.72
CC1=C(CC(=O)N(C)C2=N[N-]N=N2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019824695	0	35	-2.0	-120.08	313.88	2.58	-117.50
CC1=C(CC(=O)N(C)C2=NN=N[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019824695	1	35	-2.0	-120.12	313.74	2.62	-117.50
CC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)N(C)C3=N[N-]N=N3)SC=C2)C=C1	REAL300019824728	0	37	-2.0	-120.65	336.05	5.59	-115.06
CC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)N(C)C3=NN=N[N-]3)SC=C2)C=C1	REAL300019824728	1	37	-2.0	-120.72	335.90	5.60	-115.12
CN(C(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019824762	0	37	-2.0	-108.02	348.91	5.55	-102.47
CN(C(=O)C1=CC=C(Cl)C=C1[N-]S(=O)(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019824762	1	37	-2.0	-108.03	348.77	5.56	-102.47
CN(C(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019824788	0	37	-2.0	-104.96	344.31	5.60	-99.36
CN(C(=O)C1=CC(Cl)=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019824788	1	37	-2.0	-104.92	344.45	5.59	-99.33
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N(C)C1=N[N-]N=N1	REAL300019824796	0	34	-2.0	-109.16	293.25	3.18	-105.98
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N(C)C1=NN=N[N-]1	REAL300019824796	1	34	-2.0	-109.26	293.11	3.21	-106.05
CN(C(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300019824808	0	34	-2.0	-96.63	306.84	-1.07	-97.70
CN(C(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300019824808	1	34	-2.0	-96.68	306.70	-1.04	-97.72
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019824813	0	37	-2.0	-108.78	330.43	0.79	-107.99
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019824813	1	37	-2.0	-108.86	330.30	0.80	-108.06
CN(C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F)C1=N[N-]N=N1	REAL300019824833	0	30	-2.0	-98.30	293.73	2.45	-95.85
CN(C(=O)C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F)C1=NN=N[N-]1	REAL300019824833	1	30	-2.0	-98.35	293.59	2.47	-95.88
CN(C(=O)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)C1=NN=N[N-]1	REAL300019824876	0	31	-2.0	-85.90	288.95	4.52	-81.38
CN(C(=O)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)C1=N[N-]N=N1	REAL300019824876	1	31	-2.0	-85.82	289.09	4.52	-81.30
CN(C(=O)C1=C(NC(=O)C2=CC=C(Cl)C=C2[O-])SC=C1)C1=N[N-]N=N1	REAL300019824933	0	34	-2.0	-95.50	324.82	6.16	-89.34
CN(C(=O)C1=C(NC(=O)C2=CC=C(Cl)C=C2[O-])SC=C1)C1=NN=N[N-]1	REAL300019824933	1	34	-2.0	-95.53	324.67	6.18	-89.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825034	0	40	-2.0	-113.25	348.99	5.76	-107.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825034	1	40	-2.0	-113.21	349.13	5.76	-107.45
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]CC(N)=O)O1)C1=N[N-]N=N1	REAL300019825199	1	31	-2.0	-90.81	301.09	-3.77	-94.58
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]CC(N)=O)O1)C1=NN=N[N-]1	REAL300019825199	1	31	-2.0	-90.82	300.95	-3.75	-94.57
CN(C(=O)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-])C1=N[N-]N=N1	REAL300019826209	0	32	-2.0	-125.92	313.93	6.45	-119.47
CN(C(=O)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-])C1=NN=N[N-]1	REAL300019826209	1	32	-2.0	-126.00	313.78	6.47	-119.53
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C3=NN=N[N-]3)=N2)=C1	REAL300019826210	0	33	-2.0	-121.15	295.16	5.48	-115.67
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)C3=N[N-]N=N3)=N2)=C1	REAL300019826210	1	33	-2.0	-121.14	295.31	5.45	-115.69
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)C3=NN=N[N-]3)=N2)=C1	REAL300019826217	0	39	-2.0	-117.98	330.62	6.75	-111.23
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)C3=N[N-]N=N3)=N2)=C1	REAL300019826217	1	39	-2.0	-117.97	330.76	6.72	-111.25
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019826376	0	30	-2.0	-115.85	276.82	4.90	-110.95
CN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019826376	1	30	-2.0	-115.81	276.96	4.87	-110.94
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019826477	0	33	-2.0	-120.27	305.87	5.59	-114.68
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019826477	1	33	-2.0	-120.30	305.72	5.61	-114.69
CN(C(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019826478	0	30	-2.0	-115.59	287.14	5.35	-110.24
CN(C(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019826478	1	30	-2.0	-115.55	287.29	5.31	-110.24
CN(C(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300019826479	0	30	-2.0	-115.07	280.17	4.86	-110.21
CN(C(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300019826479	1	30	-2.0	-115.04	280.31	4.83	-110.21
CN(C(=O)C1=C([O-])C=NC2=C(Br)C=CC=C21)C1=N[N-]N=N1	REAL300019826566	1	28	-2.0	-103.42	277.43	4.13	-99.29
CN(C(=O)C1=C([O-])C=NC2=C(Br)C=CC=C21)C1=NN=N[N-]1	REAL300019826566	1	28	-2.0	-103.50	277.29	4.15	-99.35
CN(C(=O)C1=CN=C(I)C([O-])=C1)C1=N[N-]N=N1	REAL300019826689	0	22	-2.0	-82.87	231.70	2.03	-80.84
CN(C(=O)C1=CN=C(I)C([O-])=C1)C1=NN=N[N-]1	REAL300019826689	1	22	-2.0	-82.93	231.56	2.04	-80.89
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL300019826974	0	36	-2.0	-119.29	297.12	6.00	-113.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL300019826974	1	36	-2.0	-119.26	297.27	5.98	-113.28
CN(C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2)=CC=C1F)C1=N[N-]N=N1	REAL300019826979	1	37	-2.0	-88.60	345.52	5.02	-83.58
CN(C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2)=CC=C1F)C1=NN=N[N-]1	REAL300019826979	1	37	-2.0	-88.65	345.38	5.03	-83.62
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019826995	0	33	-2.0	-113.93	322.59	6.11	-107.82
CN(C(=O)C1=NN(C2=CC=C(Cl)C=C2C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019826995	1	33	-2.0	-113.94	322.44	6.13	-107.81
CC1=CC(C)=NC(N2[N-]C(C(=O)N(C)C3=N[N-]N=N3)=C(CCO)C2=O)=N1	REAL300019827003	0	41	-2.0	-103.52	356.51	4.46	-99.06
CC1=CC(C)=NC(N2[N-]C(C(=O)N(C)C3=NN=N[N-]3)=C(CCO)C2=O)=N1	REAL300019827003	1	41	-2.0	-103.50	356.37	4.45	-99.05
CN(C(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=N[N-]N=N1	REAL300019827098	0	29	-2.0	-80.48	285.50	1.37	-79.11
CN(C(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=NN=N[N-]1	REAL300019827098	1	29	-2.0	-80.54	285.35	1.39	-79.15
CN(C(=O)C1=CC=C(I)C=C1[O-])C1=N[N-]N=N1	REAL300019827181	0	23	-2.0	-107.54	239.12	4.67	-102.87
CN(C(=O)C1=CC=C(I)C=C1[O-])C1=NN=N[N-]1	REAL300019827181	1	23	-2.0	-107.60	238.98	4.70	-102.90
CN(C(=O)C1=CC(Br)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL300019827187	0	23	-2.0	-105.48	234.45	4.96	-100.52
CN(C(=O)C1=CC(Br)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL300019827187	1	23	-2.0	-105.54	234.30	4.97	-100.57
CN(C(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=N[N-]N=N1	REAL300019827207	0	32	-2.0	-117.96	290.52	6.41	-111.55
CN(C(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=NN=N[N-]1	REAL300019827207	1	32	-2.0	-117.98	290.37	6.42	-111.56
CN(C(=O)C1=C(Br)C(=O)[N-]C=N1)C1=N[N-]N=N1	REAL300019827257	0	21	-2.0	-87.26	216.68	2.24	-85.02
CN(C(=O)C1=C(Br)C(=O)[N-]C=N1)C1=NN=N[N-]1	REAL300019827257	1	21	-2.0	-87.35	216.55	2.27	-85.08
CN(C(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=N[N-]N=N1	REAL300019827430	0	32	-2.0	-109.59	294.22	5.18	-104.41
CN(C(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=NN=N[N-]1	REAL300019827430	1	32	-2.0	-109.67	294.07	5.21	-104.46
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019827445	0	27	-2.0	-88.13	280.31	3.46	-84.67
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019827445	1	27	-2.0	-88.18	280.17	3.48	-84.70
CN(C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=CC=C1Cl)C1=N[N-]N=N1	REAL300019827478	1	37	-2.0	-90.46	342.89	5.36	-85.10
CN(C(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=CC=C1Cl)C1=NN=N[N-]1	REAL300019827478	1	37	-2.0	-90.51	342.75	5.34	-85.17
CN(C(=O)C1=C(Br)[N-]N=C1Br)C1=N[N-]N=N1	REAL300019827953	0	19	-2.0	-84.39	229.16	2.43	-81.96
CN(C(=O)C1=C(Br)[N-]N=C1Br)C1=NN=N[N-]1	REAL300019827953	1	19	-2.0	-84.43	229.02	2.45	-81.98
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019829312	0	40	-2.0	-109.01	356.79	2.03	-106.98
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019829312	1	40	-2.0	-109.04	356.73	2.02	-107.02
CCOC1=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300019829363	1	40	-2.0	-96.81	363.48	4.50	-92.31
CCOC1=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300019829363	1	40	-2.0	-96.81	363.42	4.48	-92.33
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019829636	0	40	-2.0	-101.75	363.25	2.09	-99.66
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019829636	1	40	-2.0	-101.75	363.19	2.08	-99.67
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=C1	REAL300019830126	0	43	-2.0	-109.81	378.23	2.70	-107.11
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=C1	REAL300019830126	1	43	-2.0	-109.78	378.18	2.68	-107.10
CSC1=NC(C)=C(CCC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C(=O)[N-]1	REAL300019830144	1	44	-2.0	-98.82	390.44	3.01	-95.81
CSC1=NC(C)=C(CCC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C(=O)[N-]1	REAL300019830144	1	44	-2.0	-98.83	390.49	3.03	-95.80
CN1C(=O)C2=CC=C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)C=C2[N-]C1=S	REAL300019830248	0	41	-2.0	-91.72	369.88	5.31	-86.41
CN1C(=O)C2=CC=C(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)C=C2[N-]C1=S	REAL300019830248	1	41	-2.0	-91.71	369.83	5.30	-86.41
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019830269	1	39	-2.0	-118.56	371.84	6.34	-112.22
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019830269	1	39	-2.0	-118.54	371.79	6.33	-112.21
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019830316	0	41	-2.0	-108.35	373.84	5.76	-102.59
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019830316	1	41	-2.0	-108.32	373.78	5.75	-102.57
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(Br)=CC=C1[O-]	REAL300019830411	1	33	-2.0	-112.26	315.60	5.10	-107.16
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(Br)=CC=C1[O-]	REAL300019830411	1	33	-2.0	-112.25	315.54	5.08	-107.17
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019830412	1	33	-2.0	-112.33	311.04	4.99	-107.34
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019830412	1	33	-2.0	-112.34	310.97	4.98	-107.36
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019830421	1	33	-2.0	-113.73	311.02	5.00	-108.73
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019830421	1	33	-2.0	-113.74	310.97	4.98	-108.76
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019830422	0	33	-2.0	-92.49	312.45	3.46	-89.03
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019830422	1	33	-2.0	-92.51	312.39	3.45	-89.06
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019830428	1	39	-2.0	-124.37	339.24	6.82	-117.55
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019830428	1	39	-2.0	-124.41	339.18	6.80	-117.61
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019830430	0	35	-2.0	-92.71	322.45	4.66	-88.05
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019830430	1	35	-2.0	-92.73	322.40	4.65	-88.08
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019830611	0	40	-2.0	-91.93	354.36	0.22	-91.71
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019830611	1	40	-2.0	-91.93	354.30	0.20	-91.73
NC1=NC([O-])=C(CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)S1	REAL300019831114	0	34	-2.0	-124.28	320.80	-1.61	-125.89
NC1=NC([O-])=C(CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)S1	REAL300019831114	1	34	-2.0	-124.28	320.74	-1.62	-125.90
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019831220	0	43	-2.0	-110.80	378.26	2.93	-107.87
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019831220	1	43	-2.0	-110.78	378.20	2.92	-107.86
O=C(CCN1C=C[N-]C(=O)C1=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019831283	1	38	-2.0	-95.65	341.12	1.55	-94.10
O=C(CCN1C=C[N-]C(=O)C1=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019831283	1	38	-2.0	-95.64	341.06	1.54	-94.10
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019831441	0	44	-2.0	-109.02	376.98	2.82	-106.20
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019831441	1	44	-2.0	-108.99	377.04	2.83	-106.16
O=C(CCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1)[N-]C1=NN=C(C2CC2)O1	REAL300019831461	0	44	-2.0	-102.43	390.57	-1.42	-103.85
O=C(CCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)[N-]C1=NN=C(C2CC2)O1	REAL300019831461	1	44	-2.0	-102.39	390.63	-1.41	-103.80
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019831593	0	37	-2.0	-103.29	338.68	1.83	-101.46
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019831593	1	37	-2.0	-103.30	338.63	1.82	-101.48
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019831760	1	42	-2.0	-112.42	372.63	1.93	-110.49
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019831760	1	42	-2.0	-112.45	372.58	1.91	-110.54
CC1=CC=C(N2[N-]C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)=CC2=O)C=C1	REAL300019831930	0	43	-2.0	-104.61	377.22	5.28	-99.33
CC1=CC=C(N2[N-]C(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)=CC2=O)C=C1	REAL300019831930	1	43	-2.0	-104.55	377.16	5.27	-99.28
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019831956	0	35	-2.0	-92.51	329.47	2.28	-90.23
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019831956	1	35	-2.0	-92.57	329.42	2.26	-90.31
CCN1[N-]C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=CC1=O	REAL300019831968	0	36	-2.0	-100.59	323.98	1.99	-98.60
CCN1[N-]C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=CC1=O	REAL300019831968	1	36	-2.0	-100.59	323.92	1.97	-98.62
CC1=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019832061	0	41	-2.0	-108.81	361.07	2.59	-106.22
CC1=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019832061	1	41	-2.0	-108.86	361.01	2.58	-106.28
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)=N2)C=C1	REAL300019832065	0	44	-2.0	-124.69	386.71	3.48	-121.21
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)=N2)C=C1	REAL300019832065	1	44	-2.0	-124.75	386.65	3.46	-121.29
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019832066	0	40	-2.0	-120.29	363.64	4.24	-116.05
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019832066	1	40	-2.0	-120.31	363.57	4.23	-116.08
CC1=CC(C)=NC(N2[N-]C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)=CC2=O)=N1	REAL300019832067	0	44	-2.0	-113.11	392.78	5.69	-107.42
CC1=CC(C)=NC(N2[N-]C(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)=CC2=O)=N1	REAL300019832067	1	44	-2.0	-113.12	392.72	5.68	-107.44
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019832068	0	40	-2.0	-130.36	361.73	4.33	-126.03
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019832068	1	40	-2.0	-130.40	361.67	4.32	-126.08
O=C(CSC1=N[N-]C(=S)S1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019832159	0	32	-2.0	-86.27	334.99	2.83	-83.44
O=C(CSC1=N[N-]C(=S)S1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019832159	1	32	-2.0	-86.24	334.93	2.82	-83.42
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=N1	REAL300019832194	0	43	-2.0	-121.56	384.95	5.21	-116.35
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=N1	REAL300019832194	1	43	-2.0	-121.61	384.88	5.19	-116.42
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C(F)F	REAL300019832238	0	28	-2.0	-109.29	275.15	1.38	-107.91
O=C([N-]C(C1=NN=N[N-]1)C1=CC=CC=C1)C(F)(F)C(F)F	REAL300019832238	1	28	-2.0	-109.34	275.21	1.39	-107.95
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019832391	0	35	-2.0	-88.97	324.65	3.53	-85.44
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019832391	1	35	-2.0	-88.96	324.59	3.52	-85.44
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=NNC(=O)[N-]C1=O	REAL300019832478	0	31	-2.0	-99.26	291.04	-2.73	-101.99
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=NNC(=O)[N-]C1=O	REAL300019832478	1	31	-2.0	-99.27	290.98	-2.75	-102.02
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=CC(Br)=C1[O-]	REAL300019832492	0	33	-2.0	-114.32	314.67	5.13	-109.19
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CC(Br)=C1[O-]	REAL300019832492	1	33	-2.0	-114.34	314.62	5.11	-109.23
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019832507	0	35	-2.0	-119.18	320.26	5.75	-113.43
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019832507	1	35	-2.0	-119.19	320.21	5.73	-113.46
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019832576	0	35	-2.0	-102.73	322.48	5.15	-97.58
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019832576	1	35	-2.0	-102.70	322.41	5.13	-97.57
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(Br)C=C1[O-]	REAL300019832577	1	33	-2.0	-113.71	315.59	5.10	-108.61
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C(Br)C=C1[O-]	REAL300019832577	1	33	-2.0	-113.76	315.53	5.09	-108.67
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019832580	0	39	-2.0	-116.92	353.45	7.23	-109.69
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019832580	1	39	-2.0	-116.94	353.39	7.21	-109.73
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C([O-])C=CC=C1Cl	REAL300019832592	1	33	-2.0	-107.94	315.68	3.21	-104.73
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C([O-])C=CC=C1Cl	REAL300019832592	1	33	-2.0	-107.92	315.62	3.19	-104.73
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019832840	0	33	-2.0	-115.36	310.28	5.02	-110.34
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019832840	1	33	-2.0	-115.41	310.23	5.00	-110.41
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019832889	1	36	-2.0	-111.74	332.94	5.49	-106.25
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019832889	1	36	-2.0	-111.69	332.89	5.48	-106.21
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C([O-])C=C1F	REAL300019832893	1	33	-2.0	-96.50	300.99	2.97	-93.53
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C([O-])C=C1F	REAL300019832893	1	33	-2.0	-96.52	300.93	2.95	-93.57
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=C(F)C=CC=C1F	REAL300019832951	1	35	-2.0	-127.53	330.23	3.99	-123.54
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C([O-])C(F)=C1	REAL300019833071	1	33	-2.0	-94.78	302.65	2.97	-91.81
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C([O-])C(F)=C1	REAL300019833071	1	33	-2.0	-94.77	302.59	2.95	-91.82
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019833095	0	38	-2.0	-87.74	358.95	1.17	-86.57
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019833095	1	38	-2.0	-87.79	358.89	1.15	-86.64
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019833096	0	37	-2.0	-92.22	332.16	2.91	-89.31
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019833096	1	37	-2.0	-92.19	332.10	2.90	-89.29
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019833097	0	33	-2.0	-91.61	318.64	3.52	-88.09
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019833097	1	33	-2.0	-91.63	318.58	3.50	-88.13
CC1=CN=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C([O-])=C1	REAL300019833107	1	35	-2.0	-120.25	312.98	3.41	-116.84
CC1=CN=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C([O-])=C1	REAL300019833107	1	35	-2.0	-120.21	312.92	3.40	-116.81
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019833119	0	41	-2.0	-98.70	360.10	2.17	-96.53
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019833119	1	41	-2.0	-98.70	360.16	2.19	-96.51
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019833165	0	35	-2.0	-94.55	322.42	4.70	-89.85
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019833165	1	35	-2.0	-94.56	322.37	4.69	-89.87
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019833168	0	33	-2.0	-99.12	313.29	3.07	-96.05
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019833168	1	33	-2.0	-99.08	313.23	3.05	-96.03
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019833175	0	33	-2.0	-93.97	308.84	3.04	-90.93
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019833175	1	33	-2.0	-93.99	308.78	3.03	-90.96
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019833212	0	35	-2.0	-107.52	322.46	5.15	-102.37
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019833212	1	35	-2.0	-107.54	322.40	5.13	-102.41
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019833246	0	38	-2.0	-92.86	341.64	0.75	-92.11
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019833246	1	38	-2.0	-92.82	341.69	0.76	-92.06
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=NC=CS1	REAL300019833248	1	31	-2.0	-124.52	306.72	1.33	-123.19
N#CC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C=C1[O-]	REAL300019833337	1	34	-2.0	-92.96	316.62	3.31	-89.65
N#CC1=CC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C=C1[O-]	REAL300019833337	1	34	-2.0	-92.96	316.56	3.30	-89.66
COC1=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300019833361	1	36	-2.0	-92.97	324.58	-1.42	-94.39
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C([O-])C=CC=C1F	REAL300019833396	1	33	-2.0	-120.99	306.18	2.83	-118.16
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C([O-])C=CC=C1F	REAL300019833396	1	33	-2.0	-121.04	306.13	2.81	-118.23
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300019833413	1	34	-2.0	-88.91	316.62	2.37	-86.54
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300019833413	1	34	-2.0	-88.86	316.56	2.36	-86.50
N#CC1=CC([O-])=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=C1	REAL300019833446	1	34	-2.0	-90.79	317.32	3.24	-87.55
N#CC1=CC([O-])=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=C1	REAL300019833446	1	34	-2.0	-90.77	317.26	3.23	-87.54
O=C(CSC1=NNC(=O)[N-]1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019833474	0	33	-2.0	-93.28	316.46	-0.82	-94.10
O=C(CSC1=NNC(=O)[N-]1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019833474	1	33	-2.0	-93.26	316.41	-0.84	-94.10
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019833514	1	35	-2.0	-100.56	329.47	5.76	-94.80
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019833514	1	35	-2.0	-100.56	329.41	5.75	-94.81
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)=N2)=C1	REAL300019833669	0	43	-2.0	-129.73	381.98	4.83	-124.90
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)=N2)=C1	REAL300019833669	1	43	-2.0	-129.76	381.92	4.81	-124.95
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019833720	1	35	-2.0	-92.32	316.77	2.74	-89.58
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019833720	1	35	-2.0	-92.30	316.72	2.72	-89.58
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C(F)C=CC([O-])=C1F	REAL300019833805	1	33	-2.0	-107.43	312.56	2.80	-104.63
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C(F)C=CC([O-])=C1F	REAL300019833805	1	33	-2.0	-107.47	312.50	2.78	-104.69
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC([O-])=CS1	REAL300019833885	0	30	-2.0	-101.66	288.71	1.81	-99.85
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC([O-])=CS1	REAL300019833885	1	30	-2.0	-101.64	288.65	1.79	-99.85
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019833962	0	35	-2.0	-95.29	329.53	2.27	-93.02
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019833962	1	35	-2.0	-95.31	329.47	2.26	-93.05
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019834004	0	40	-2.0	-122.54	363.64	4.24	-118.30
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019834004	1	40	-2.0	-122.57	363.58	4.23	-118.34
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019834042	1	38	-2.0	-126.71	336.74	5.12	-121.59
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019834042	1	38	-2.0	-126.74	336.69	5.10	-121.64
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019834225	0	40	-2.0	-122.52	373.96	4.70	-117.82
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019834225	1	40	-2.0	-122.49	373.90	4.68	-117.81
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019834226	0	40	-2.0	-122.48	366.98	4.22	-118.26
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019834226	1	40	-2.0	-122.54	366.92	4.20	-118.34
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019834346	0	38	-2.0	-100.54	339.25	2.41	-98.13
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019834346	1	38	-2.0	-100.59	339.19	2.39	-98.20
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019834453	0	40	-2.0	-126.05	357.18	4.17	-121.88
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019834453	1	40	-2.0	-126.09	357.12	4.16	-121.93
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=C1	REAL300019834557	0	38	-2.0	-118.02	348.44	-0.56	-118.58
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=C1	REAL300019834557	1	38	-2.0	-117.99	348.38	-0.58	-118.57
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300019834646	1	35	-2.0	-117.62	349.96	4.80	-112.82
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019834675	0	36	-2.0	-115.18	331.71	5.52	-109.66
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019834675	1	36	-2.0	-115.20	331.65	5.51	-109.69
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019834679	0	38	-2.0	-99.92	345.67	2.63	-97.29
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019834679	1	38	-2.0	-99.92	345.61	2.61	-97.31
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300019834734	1	35	-2.0	-119.31	348.44	4.75	-114.56
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019834767	0	35	-2.0	-109.15	336.98	6.26	-102.89
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019834767	1	35	-2.0	-109.16	336.92	6.25	-102.91
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019834798	1	38	-2.0	-129.81	335.02	4.96	-124.85
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019834798	1	38	-2.0	-129.84	334.97	4.94	-124.90
O=C(CCCC1=N[N-]N=N1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019834825	0	36	-2.0	-99.56	321.60	1.80	-97.76
O=C(CCCC1=N[N-]N=N1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019834825	1	36	-2.0	-99.56	321.54	1.79	-97.77
O=C(CCCC1=NN=N[N-]1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019834825	1	36	-2.0	-99.57	321.66	1.82	-97.75
O=C(CCCC1=NN=N[N-]1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019834825	1	36	-2.0	-99.59	321.60	1.80	-97.79
N#CC1=CN(CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C(=O)[N-]C1=O	REAL300019835178	0	36	-2.0	-101.34	339.89	0.13	-101.21
N#CC1=CN(CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C(=O)[N-]C1=O	REAL300019835178	1	36	-2.0	-101.29	339.83	0.11	-101.18
N#CC1=CN(CCC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C(=O)[N-]C1=O	REAL300019835184	0	39	-2.0	-100.27	360.89	0.58	-99.69
N#CC1=CN(CCC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C(=O)[N-]C1=O	REAL300019835184	1	39	-2.0	-100.29	360.84	0.56	-99.73
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019835187	1	40	-2.0	-125.58	350.33	3.96	-121.62
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019835187	1	40	-2.0	-125.56	350.27	3.95	-121.61
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)=C2)O1	REAL300019836205	1	42	-2.0	-127.20	377.92	6.65	-120.55
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)=C2)O1	REAL300019836205	1	42	-2.0	-127.22	377.86	6.63	-120.59
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019836240	0	37	-2.0	-98.74	363.90	3.15	-95.59
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019836240	1	37	-2.0	-98.74	363.85	3.14	-95.60
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019836257	0	33	-2.0	-107.69	327.02	5.53	-102.16
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019836257	1	33	-2.0	-107.70	326.97	5.51	-102.19
CC1=CC(C=O)=C([O-])C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=C1	REAL300019836266	1	38	-2.0	-129.66	336.74	6.01	-123.65
CC1=CC(C=O)=C([O-])C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=C1	REAL300019836266	1	38	-2.0	-129.67	336.68	6.00	-123.67
CC(C)CN1[N-]C(CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=CC1=O	REAL300019836368	0	45	-2.0	-107.71	382.11	3.91	-103.80
CC(C)CN1[N-]C(CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=CC1=O	REAL300019836368	1	45	-2.0	-107.75	382.05	3.89	-103.86
CC1=CC(C(F)(F)C(=O)[N-]C(C2=N[N-]N=N2)C2=CC=CC=C2)=CN=C1Cl	REAL300019836419	1	37	-2.0	-113.05	352.00	3.21	-109.84
COC1=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019836437	0	39	-2.0	-94.29	351.61	4.52	-89.77
COC1=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019836437	1	39	-2.0	-94.28	351.55	4.50	-89.78
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019836438	0	33	-2.0	-114.22	316.62	5.05	-109.17
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019836438	1	33	-2.0	-114.24	316.56	5.04	-109.20
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(F)C([O-])=C1	REAL300019836478	1	33	-2.0	-97.56	302.69	2.93	-94.63
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C(F)C([O-])=C1	REAL300019836478	1	33	-2.0	-97.53	302.63	2.90	-94.63
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019836483	0	33	-2.0	-94.95	312.49	3.40	-91.55
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019836483	1	33	-2.0	-94.95	312.43	3.40	-91.55
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300019836486	1	34	-2.0	-110.28	333.21	2.61	-107.67
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CSC=N1	REAL300019836542	1	31	-2.0	-124.76	305.27	1.64	-123.12
COC(=O)C1=CC2=C(C=C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)O2)[N-]1	REAL300019836600	1	39	-2.0	-92.89	357.92	3.21	-89.68
COC(=O)C1=CC2=C(C=C(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)O2)[N-]1	REAL300019836600	1	39	-2.0	-92.90	357.86	3.20	-89.70
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=CC(F)=C1[O-]	REAL300019836631	0	33	-2.0	-120.39	300.48	4.55	-115.84
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CC(F)=C1[O-]	REAL300019836631	1	33	-2.0	-120.39	300.42	4.54	-115.85
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019836656	0	33	-2.0	-110.13	306.90	4.61	-105.52
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019836656	1	33	-2.0	-110.11	306.84	4.60	-105.51
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CN=CS1	REAL300019836896	1	31	-2.0	-117.23	307.78	1.27	-115.96
COCC1=NC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C(=O)[N-]1	REAL300019836903	1	38	-2.0	-104.32	337.57	0.11	-104.21
COCC1=NC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C(=O)[N-]1	REAL300019836903	1	38	-2.0	-104.36	337.52	0.10	-104.26
CC1=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019837042	0	38	-2.0	-91.66	342.47	5.41	-86.25
CC1=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019837042	1	38	-2.0	-91.62	342.41	5.40	-86.22
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300019837045	0	32	-2.0	-106.18	322.52	0.90	-105.28
O=C([N-]C(C1=NN=N[N-]1)C1=CC=CC=C1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300019837045	1	32	-2.0	-106.16	322.58	0.91	-105.25
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(F)C([O-])=C1F	REAL300019837047	0	33	-2.0	-107.98	306.99	3.01	-104.97
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C(F)C([O-])=C1F	REAL300019837047	1	33	-2.0	-107.98	306.93	3.00	-104.98
CC1=CC([O-])=C(Cl)C=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019837061	0	36	-2.0	-92.47	328.45	4.12	-88.35
CC1=CC([O-])=C(Cl)C=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019837061	1	36	-2.0	-92.50	328.39	4.11	-88.39
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CC=C(F)C=C1F	REAL300019837188	1	35	-2.0	-117.76	332.37	4.03	-113.73
N#CC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C(=O)[N-]1	REAL300019837231	0	33	-2.0	-96.71	309.51	1.38	-95.33
N#CC1=CC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C(=O)[N-]1	REAL300019837231	1	33	-2.0	-96.71	309.45	1.36	-95.35
CN1C(=S)[N-]N=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019837594	1	32	-2.0	-90.09	302.91	3.47	-86.62
CN1C(=S)[N-]N=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019837594	1	32	-2.0	-90.05	302.86	3.45	-86.60
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019837618	0	41	-2.0	-121.40	364.68	0.41	-120.99
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019837618	1	41	-2.0	-121.41	364.63	0.39	-121.02
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CN=CC=N1	REAL300019837804	1	33	-2.0	-122.38	309.95	0.97	-121.41
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019837974	0	38	-2.0	-90.49	353.05	3.60	-86.89
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019837974	1	38	-2.0	-90.51	353.00	3.58	-86.93
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019838035	0	33	-2.0	-106.16	316.81	5.06	-101.10
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019838035	1	33	-2.0	-106.17	316.75	5.05	-101.12
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1[O-]	REAL300019839236	0	30	-2.0	-92.38	304.78	6.05	-86.33
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1[O-]	REAL300019839236	1	30	-2.0	-92.30	304.82	6.04	-86.26
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1[O-]	REAL300019839242	0	30	-2.0	-90.77	303.78	6.02	-84.75
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1[O-]	REAL300019839242	1	30	-2.0	-90.72	303.82	6.03	-84.69
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C([O-])C(Cl)=C1	REAL300019839243	0	30	-2.0	-84.02	305.21	4.58	-79.44
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C([O-])C(Cl)=C1	REAL300019839243	1	30	-2.0	-83.98	305.25	4.58	-79.40
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC(=O)N[N-]1	REAL300019839314	0	27	-2.0	-86.84	273.22	0.49	-86.35
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC(=O)N[N-]1	REAL300019839314	1	27	-2.0	-86.79	273.26	0.50	-86.29
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019839338	1	29	-2.0	-88.06	298.03	5.06	-83.00
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019839338	1	29	-2.0	-87.99	298.07	5.06	-82.93
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC(=O)N[N-]1	REAL300019839527	0	27	-2.0	-86.84	273.22	0.49	-86.35
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC(=O)N[N-]1	REAL300019839527	1	27	-2.0	-86.79	273.26	0.50	-86.29
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NNC(=O)[N-]C1=O	REAL300019839790	0	28	-2.0	-85.15	284.79	-1.67	-86.82
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NNC(=O)[N-]C1=O	REAL300019839790	1	28	-2.0	-85.10	284.83	-1.66	-86.76
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1[O-]	REAL300019839833	1	30	-2.0	-92.48	294.47	5.59	-86.89
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1[O-]	REAL300019839833	1	30	-2.0	-92.48	294.51	5.59	-86.89
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1[O-]	REAL300019839920	0	30	-2.0	-92.12	303.10	6.02	-86.10
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1[O-]	REAL300019839920	1	30	-2.0	-92.07	303.14	6.04	-86.03
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C([O-])C=C1F	REAL300019839937	1	30	-2.0	-83.30	293.74	4.08	-79.22
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C([O-])C=C1F	REAL300019839937	1	30	-2.0	-84.13	294.76	4.10	-80.03
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C([O-])C(F)=C1	REAL300019839976	1	30	-2.0	-87.58	295.41	4.08	-83.50
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C([O-])C(F)=C1	REAL300019839976	1	30	-2.0	-87.55	295.45	4.09	-83.46
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=NC=CC=C1[O-]	REAL300019839984	0	29	-2.0	-99.27	285.29	3.82	-95.45
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=NC=CC=C1[O-]	REAL300019839984	1	29	-2.0	-99.25	285.33	3.82	-95.43
CC1=CN=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C([O-])=C1	REAL300019839992	0	32	-2.0	-101.11	306.73	4.46	-96.65
CC1=CN=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C([O-])=C1	REAL300019839992	1	32	-2.0	-101.07	306.77	4.46	-96.61
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC(F)=C([O-])C(F)=C1	REAL300019840016	0	30	-2.0	-86.42	302.61	4.16	-82.26
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC(F)=C([O-])C(F)=C1	REAL300019840016	1	30	-2.0	-86.34	302.66	4.18	-82.16
N#CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C=C1[O-]	REAL300019840076	0	31	-2.0	-82.27	309.38	4.43	-77.84
N#CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=C1[O-]	REAL300019840076	1	31	-2.0	-83.03	310.38	4.45	-78.58
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C([O-])C=CC=C1F	REAL300019840100	0	30	-2.0	-104.09	298.95	3.96	-100.13
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C([O-])C=CC=C1F	REAL300019840100	1	30	-2.0	-97.80	299.97	3.98	-93.82
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1	REAL300019840114	1	31	-2.0	-89.24	311.11	4.38	-84.86
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1	REAL300019840114	1	31	-2.0	-89.17	311.15	4.38	-84.79
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840121	0	30	-2.0	-82.23	309.22	0.29	-81.94
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840121	1	30	-2.0	-82.17	309.26	0.30	-81.87
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCOCC1C1=N[N-]N=N1	REAL300019842369	0	38	-2.0	-121.38	341.13	-1.79	-123.17
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCOCC1C1=NN=N[N-]1	REAL300019842369	1	38	-2.0	-121.32	341.20	-1.77	-123.09
CCOC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300019842423	1	38	-2.0	-98.71	327.68	1.10	-97.61
CCOC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300019842423	1	38	-2.0	-98.76	327.75	1.12	-97.64
CSC1=NC(C)=C(CCC(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019843189	1	42	-2.0	-105.30	356.93	0.05	-105.25
CSC1=NC(C)=C(CCC(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019843189	1	42	-2.0	-105.30	356.99	0.06	-105.24
C=CCN1C(=O)C2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019843286	0	43	-2.0	-101.78	368.33	3.41	-98.37
C=CCN1C(=O)C2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019843286	1	43	-2.0	-101.76	368.40	3.42	-98.34
CN1C(=O)C2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019843287	0	39	-2.0	-100.18	333.77	1.92	-98.26
CN1C(=O)C2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019843287	1	39	-2.0	-100.20	333.84	1.93	-98.27
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCOCC1C1=N[N-]N=N1	REAL300019843298	1	37	-2.0	-120.78	337.88	3.33	-117.45
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCOCC1C1=NN=N[N-]1	REAL300019843298	1	37	-2.0	-120.75	337.95	3.34	-117.41
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019843322	1	43	-2.0	-120.49	366.07	4.93	-115.56
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019843322	1	43	-2.0	-120.56	366.13	4.94	-115.62
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCOCC1C1=N[N-]N=N1	REAL300019843323	0	39	-2.0	-116.07	339.88	2.75	-113.32
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCOCC1C1=NN=N[N-]1	REAL300019843323	1	39	-2.0	-116.05	339.94	2.76	-113.29
CCN1C(=O)C2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019843346	0	42	-2.0	-100.69	355.06	2.85	-97.84
CCN1C(=O)C2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019843346	1	42	-2.0	-100.68	355.12	2.85	-97.83
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCOCC1C1=N[N-]N=N1	REAL300019843359	0	42	-2.0	-107.41	360.83	3.23	-104.18
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCOCC1C1=NN=N[N-]1	REAL300019843359	1	42	-2.0	-107.44	360.89	3.25	-104.19
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019843385	1	43	-2.0	-123.75	365.98	4.89	-118.86
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019843385	1	43	-2.0	-123.75	366.04	4.89	-118.86
O=C(C1=CC(Br)=CC=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019843419	1	31	-2.0	-120.85	279.89	1.32	-119.53
O=C(C1=CC(Br)=CC=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019843419	1	31	-2.0	-120.84	279.95	1.35	-119.49
O=C(C1=CC(Cl)=CC=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019843420	1	31	-2.0	-120.76	275.32	1.22	-119.54
O=C(C1=CC(Cl)=CC=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019843420	1	31	-2.0	-120.75	275.39	1.24	-119.51
O=C(C1=CC=C(Cl)C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019843427	1	31	-2.0	-123.83	275.33	1.21	-122.62
O=C(C1=CC=C(Cl)C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019843427	1	31	-2.0	-123.80	275.40	1.25	-122.55
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019843428	0	31	-2.0	-97.79	276.31	0.07	-97.72
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019843428	1	31	-2.0	-97.82	276.38	0.08	-97.74
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019843432	1	37	-2.0	-133.46	303.65	3.07	-130.39
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019843432	1	37	-2.0	-133.48	303.59	3.05	-130.43
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019843435	0	33	-2.0	-90.85	285.47	1.33	-89.52
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019843435	1	33	-2.0	-90.86	285.53	1.34	-89.52
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL300019843534	1	44	-2.0	-89.01	367.50	-1.83	-90.84
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019843605	0	38	-2.0	-91.20	318.17	-3.17	-94.37
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019843605	1	38	-2.0	-91.16	318.23	-3.17	-94.33
NC1=NC([O-])=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL300019844047	0	32	-2.0	-123.53	286.89	-4.58	-128.11
NC1=NC([O-])=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL300019844047	1	32	-2.0	-123.56	286.95	-4.55	-128.11
CC(C(=O)N1CCOCC1C1=N[N-]N=N1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019844181	1	40	-2.0	-128.71	346.37	3.18	-125.53
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019844181	1	40	-2.0	-128.71	346.44	3.20	-125.51
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCOCC1C1=N[N-]N=N1	REAL300019844205	1	36	-2.0	-104.56	307.61	-1.42	-105.98
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCOCC1C1=NN=N[N-]1	REAL300019844205	1	36	-2.0	-104.56	307.68	-1.42	-105.98
CC1=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019844227	0	43	-2.0	-133.85	363.73	-0.72	-134.57
CC1=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019844227	1	43	-2.0	-133.84	363.79	-0.70	-134.54
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019844348	0	42	-2.0	-121.29	343.09	-0.14	-121.43
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019844348	1	42	-2.0	-121.30	343.16	-0.11	-121.41
O=C(CCC(=O)N1CCOCC1C1=N[N-]N=N1)[N-]C1=NN=C(C2CC2)O1	REAL300019844360	0	42	-2.0	-105.64	357.13	-4.38	-110.02
O=C(CCC(=O)N1CCOCC1C1=NN=N[N-]1)[N-]C1=NN=C(C2CC2)O1	REAL300019844360	1	42	-2.0	-105.62	357.20	-4.38	-110.00
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019844626	1	40	-2.0	-122.11	339.12	-1.04	-123.15
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019844626	1	40	-2.0	-122.17	339.19	-1.04	-123.21
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1	REAL300019844753	1	39	-2.0	-95.08	350.51	-7.16	-102.24
CC1=CC=C(N2[N-]C(C(=O)N3CCOCC3C3=N[N-]N=N3)=CC2=O)C=C1	REAL300019844761	0	41	-2.0	-106.70	339.51	2.72	-103.98
CC1=CC=C(N2[N-]C(C(=O)N3CCOCC3C3=NN=N[N-]3)=CC2=O)C=C1	REAL300019844761	1	41	-2.0	-106.72	339.57	2.74	-103.98
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019844783	0	33	-2.0	-99.87	293.34	-1.10	-100.97
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019844783	1	33	-2.0	-99.86	293.41	-1.09	-100.95
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019844863	0	39	-2.0	-118.91	336.99	-0.85	-119.76
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019844863	1	39	-2.0	-118.93	336.93	-0.86	-119.79
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCOCC3C3=N[N-]N=N3)=N2)C=C1	REAL300019844865	0	42	-2.0	-131.86	349.79	0.72	-131.14
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCOCC3C3=NN=N[N-]3)=N2)C=C1	REAL300019844865	1	42	-2.0	-131.85	349.85	0.75	-131.10
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019844866	0	38	-2.0	-127.60	326.90	1.45	-126.15
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019844866	1	38	-2.0	-127.64	326.97	1.45	-126.19
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCOCC3C3=N[N-]N=N3)=CC2=O)=N1	REAL300019844867	0	42	-2.0	-113.64	355.02	3.12	-110.52
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCOCC3C3=NN=N[N-]3)=CC2=O)=N1	REAL300019844867	1	42	-2.0	-113.59	355.08	3.14	-110.45
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019844868	0	38	-2.0	-135.52	323.11	1.45	-134.07
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019844868	1	38	-2.0	-135.52	323.18	1.46	-134.06
O=C(CSC1=N[N-]C(=S)S1)N1CCOCC1C1=N[N-]N=N1	REAL300019844944	0	30	-2.0	-88.55	301.50	-0.11	-88.66
O=C(CSC1=N[N-]C(=S)S1)N1CCOCC1C1=NN=N[N-]1	REAL300019844944	1	30	-2.0	-88.53	301.57	-0.10	-88.63
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL300019844969	0	41	-2.0	-129.13	345.86	2.47	-126.66
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL300019844969	1	41	-2.0	-129.16	345.97	2.47	-126.69
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCOCC3C3=N[N-]N=N3)=N2)C=C1	REAL300019845068	0	47	-2.0	-131.91	380.69	3.30	-128.61
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCOCC3C3=NN=N[N-]3)=N2)C=C1	REAL300019845068	1	47	-2.0	-131.93	380.75	3.30	-128.63
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019845125	0	33	-2.0	-89.86	288.38	0.15	-89.71
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019845125	1	33	-2.0	-89.87	288.44	0.16	-89.71
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL300019845128	0	47	-2.0	-103.54	396.40	0.84	-102.70
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL300019845128	1	47	-2.0	-103.60	396.47	0.86	-102.74
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCOCC2C2=N[N-]N=N2)S1	REAL300019845157	0	44	-2.0	-103.48	377.54	0.08	-103.40
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCOCC2C2=NN=N[N-]2)S1	REAL300019845157	1	44	-2.0	-103.51	377.61	0.08	-103.43
O=C(C1=CC=CC(Br)=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019845205	0	31	-2.0	-123.61	279.03	1.34	-122.27
O=C(C1=CC=CC(Br)=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019845205	1	31	-2.0	-123.62	279.10	1.37	-122.25
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C([O-])=C1	REAL300019845210	1	48	-2.0	-127.34	379.79	0.99	-126.35
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019845219	0	33	-2.0	-131.91	284.62	2.06	-129.85
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019845219	1	33	-2.0	-131.94	284.69	2.08	-129.86
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019845280	0	33	-2.0	-109.50	286.78	1.37	-108.13
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019845280	1	33	-2.0	-109.49	286.84	1.40	-108.09
O=C(C1=CC=C(Br)C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019845281	1	31	-2.0	-123.81	279.89	1.32	-122.49
O=C(C1=CC=C(Br)C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019845281	1	31	-2.0	-123.80	279.96	1.34	-122.46
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019845284	0	37	-2.0	-124.60	317.87	3.46	-121.14
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019845284	1	37	-2.0	-124.58	317.93	3.49	-121.09
O=C(C1=C([O-])C=CC=C1Cl)N1CCOCC1C1=N[N-]N=N1	REAL300019845295	1	31	-2.0	-113.94	281.99	0.20	-113.74
O=C(C1=C([O-])C=CC=C1Cl)N1CCOCC1C1=NN=N[N-]1	REAL300019845295	1	31	-2.0	-113.96	282.06	0.22	-113.74
O=C(C1=CC=CC(Cl)=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019845488	0	31	-2.0	-125.05	274.64	1.23	-123.82
O=C(C1=CC=CC(Cl)=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019845488	1	31	-2.0	-125.02	274.71	1.26	-123.76
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019845523	1	34	-2.0	-122.03	297.29	1.70	-120.33
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019845523	1	34	-2.0	-122.02	297.36	1.72	-120.30
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019845694	0	36	-2.0	-92.85	322.76	-2.22	-95.07
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019845694	1	36	-2.0	-92.86	322.83	-2.22	-95.08
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019845695	0	35	-2.0	-90.99	301.20	-0.57	-91.56
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019845695	1	35	-2.0	-91.03	301.27	-0.57	-91.60
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019845696	0	31	-2.0	-94.09	282.70	0.13	-93.96
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019845696	1	31	-2.0	-94.12	282.77	0.15	-93.97
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019845713	0	39	-2.0	-101.27	319.59	-1.72	-102.99
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019845713	1	39	-2.0	-101.28	319.65	-1.71	-102.99
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019845732	0	42	-2.0	-127.70	354.14	-1.30	-129.00
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019845732	1	42	-2.0	-127.73	354.21	-1.27	-129.00
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019845753	0	33	-2.0	-100.84	285.45	1.36	-99.48
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019845753	1	33	-2.0	-100.77	285.52	1.37	-99.40
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCOCC1C1=N[N-]N=N1	REAL300019845755	0	31	-2.0	-107.20	276.84	-0.31	-107.51
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCOCC1C1=NN=N[N-]1	REAL300019845755	1	31	-2.0	-107.21	276.91	-0.31	-107.52
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019845762	0	31	-2.0	-96.90	272.94	-0.35	-97.25
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019845762	1	31	-2.0	-96.87	273.00	-0.33	-97.20
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019845789	0	33	-2.0	-118.95	286.77	1.36	-117.59
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019845789	1	33	-2.0	-118.91	286.84	1.39	-117.52
N#CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1[O-]	REAL300019845865	1	32	-2.0	-109.35	280.49	-0.07	-109.42
N#CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1[O-]	REAL300019845865	1	32	-2.0	-109.28	280.56	-0.06	-109.34
COC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)NC(=O)[N-]C1=O	REAL300019845879	1	34	-2.0	-93.66	296.42	-5.71	-99.37
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019845913	1	32	-2.0	-90.40	279.66	-0.96	-91.36
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019845913	1	32	-2.0	-90.36	279.72	-0.97	-91.33
N#CC1=CC([O-])=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019845939	1	32	-2.0	-90.39	281.37	-0.14	-90.53
N#CC1=CC([O-])=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019845939	1	32	-2.0	-90.34	281.44	-0.13	-90.47
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1C1=N[N-]N=N1	REAL300019845959	0	31	-2.0	-97.71	282.95	-3.75	-101.46
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1C1=NN=N[N-]1	REAL300019845959	1	31	-2.0	-97.73	283.02	-3.75	-101.48
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019845990	1	33	-2.0	-111.78	293.18	2.39	-109.39
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019845990	1	33	-2.0	-111.76	293.24	2.40	-109.36
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019846006	0	40	-2.0	-113.90	344.76	2.12	-111.78
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCOCC1C1=N[N-]N=N1	REAL300019846006	1	40	-2.0	-107.68	344.84	2.19	-105.49
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019846006	1	40	-2.0	-113.89	344.82	2.13	-111.76
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCOCC1C1=NN=N[N-]1	REAL300019846006	1	40	-2.0	-107.68	344.91	2.20	-105.48
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCOCC3C3=N[N-]N=N3)=N2)=C1	REAL300019846106	0	41	-2.0	-137.71	345.21	2.02	-135.69
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCOCC3C3=NN=N[N-]3)=N2)=C1	REAL300019846106	1	41	-2.0	-137.72	345.28	2.03	-135.69
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCOCC3C3=N[N-]N=N3)=N2)=C1	REAL300019846117	0	47	-2.0	-132.82	380.59	3.32	-129.50
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCOCC3C3=NN=N[N-]3)=N2)=C1	REAL300019846117	1	47	-2.0	-132.80	380.67	3.32	-129.48
O=C(C(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=C([O-])C=C1	REAL300019846148	1	33	-2.0	-95.16	288.95	-0.37	-95.53
O=C(C(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=C([O-])C=C1	REAL300019846148	1	33	-2.0	-95.14	288.97	-0.34	-95.48
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019846338	0	33	-2.0	-103.83	293.40	-1.11	-104.94
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019846338	1	33	-2.0	-103.85	293.46	-1.10	-104.95
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019846378	0	38	-2.0	-131.16	326.74	1.47	-129.69
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019846378	1	38	-2.0	-131.14	326.82	1.47	-129.67
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019846410	1	36	-2.0	-132.69	302.77	1.96	-130.73
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019846410	1	36	-2.0	-132.71	302.70	1.94	-130.77
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019846539	0	38	-2.0	-130.93	337.06	1.92	-129.01
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019846539	1	38	-2.0	-130.88	337.14	1.92	-128.96
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019846540	0	38	-2.0	-131.75	330.21	1.41	-130.34
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019846540	1	38	-2.0	-131.74	330.28	1.43	-130.31
O=C(C1=CC(=O)N=C(C2CC2)[N-]1)N1CCOCC1C1=N[N-]N=N1	REAL300019846628	0	36	-2.0	-101.24	302.75	-1.02	-102.26
O=C(C1=CC(=O)N=C(C2CC2)[N-]1)N1CCOCC1C1=NN=N[N-]1	REAL300019846628	1	36	-2.0	-101.13	302.82	-1.00	-102.13
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019846700	0	38	-2.0	-133.31	320.46	1.37	-131.94
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019846700	1	38	-2.0	-133.31	320.53	1.38	-131.93
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019846770	0	36	-2.0	-126.64	312.73	-4.34	-130.98
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019846770	1	36	-2.0	-126.66	312.79	-4.31	-130.97
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019846869	0	34	-2.0	-125.34	296.06	1.74	-123.60
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019846869	1	34	-2.0	-125.33	296.12	1.76	-123.57
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019846871	0	36	-2.0	-110.51	309.45	-0.77	-111.28
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019846871	1	36	-2.0	-110.56	309.52	-0.75	-111.31
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019846931	0	33	-2.0	-119.74	300.60	2.62	-117.12
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019846931	1	33	-2.0	-119.81	300.67	2.64	-117.17
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019846955	1	36	-2.0	-139.79	299.50	1.21	-138.58
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019846955	1	36	-2.0	-139.81	299.44	1.18	-138.63
CC(C)CN1[N-]C(CC(=O)N2CCOCC2C2=N[N-]N=N2)=CC1=O	REAL300019848223	0	43	-2.0	-117.59	350.63	1.27	-116.32
CC(C)CN1[N-]C(CC(=O)N2CCOCC2C2=NN=N[N-]2)=CC1=O	REAL300019848223	1	43	-2.0	-117.60	350.69	1.29	-116.31
COC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019848279	0	37	-2.0	-94.72	315.48	1.15	-93.57
COC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019848279	1	37	-2.0	-94.71	315.55	1.15	-93.56
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019848280	0	31	-2.0	-125.49	280.98	1.26	-124.23
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019848280	1	31	-2.0	-125.51	281.05	1.28	-124.23
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019848317	0	31	-2.0	-110.91	276.35	0.03	-110.88
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019848317	1	31	-2.0	-110.91	276.41	0.05	-110.86
COC(=O)C1=CC2=C(C=C(C(=O)N3CCOCC3C3=N[N-]N=N3)O2)[N-]1	REAL300019848401	1	37	-2.0	-94.07	321.12	0.34	-93.73
COC(=O)C1=CC2=C(C=C(C(=O)N3CCOCC3C3=NN=N[N-]3)O2)[N-]1	REAL300019848401	1	37	-2.0	-94.07	321.19	0.34	-93.73
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019848445	0	31	-2.0	-119.03	270.47	0.94	-118.09
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019848445	1	31	-2.0	-119.06	270.53	0.94	-118.12
COCC1=NC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019848655	1	36	-2.0	-100.47	302.66	-3.42	-103.89
COCC1=NC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019848655	1	36	-2.0	-100.42	302.72	-3.40	-103.82
CC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019848766	0	36	-2.0	-91.74	306.20	2.04	-89.70
CC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019848766	1	36	-2.0	-91.77	306.26	2.05	-89.72
O=C(C1=CC=C(F)C([O-])=C1F)N1CCOCC1C1=N[N-]N=N1	REAL300019848769	0	31	-2.0	-118.26	271.34	-0.37	-118.63
O=C(C1=CC=C(F)C([O-])=C1F)N1CCOCC1C1=NN=N[N-]1	REAL300019848769	1	31	-2.0	-118.23	271.41	-0.34	-118.57
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019848780	0	34	-2.0	-93.17	296.06	0.90	-92.27
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019848780	1	34	-2.0	-93.13	296.11	0.92	-92.21
N#CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019848905	0	31	-2.0	-91.82	274.52	-2.17	-93.99
N#CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019848905	1	31	-2.0	-91.78	274.58	-2.16	-93.94
O=C(CCCC1=N[N-]N=N1)NC(CC1=CC=CC=C1)C1=NNC(=O)[N-]1	REAL300019850343	0	41	-2.0	-98.97	359.76	1.22	-97.75
O=C(CCCC1=NN=N[N-]1)NC(CC1=CC=CC=C1)C1=NNC(=O)[N-]1	REAL300019850343	1	41	-2.0	-99.00	359.82	1.23	-97.77
O=C(NC(CC1=CC=CC=C1)C1=NNC(=O)[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850344	0	44	-2.0	-113.98	384.14	4.09	-109.89
O=C(NC(CC1=CC=CC=C1)C1=NNC(=O)[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019850344	1	44	-2.0	-113.75	384.24	4.09	-109.66
O=C(NC(CC1=CC=CC=C1)C1=NNC(=O)[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850345	0	41	-2.0	-86.75	370.34	1.03	-85.72
O=C(NC(CC1=CC=CC=C1)C1=NNC(=O)[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850345	1	41	-2.0	-86.67	370.42	1.03	-85.64
N#CC1=CC=CC(O[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019850383	0	30	-2.0	-90.60	299.94	3.80	-86.80
CC(C)(C)N1CCC1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850391	0	43	-2.0	-96.21	359.47	-1.32	-97.53
CC(C)(C)N1CCC1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850391	1	43	-2.0	-96.17	359.54	-1.32	-97.49
O=C(NC1=CC=CC(F)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850627	1	29	-2.0	-86.76	276.56	1.24	-85.52
O=C(NC1=CC=CC(F)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850627	1	29	-2.0	-86.73	276.63	1.25	-85.48
O=C([N-]C1=NN2C=NN=C2S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850652	0	26	-2.0	-76.18	268.64	1.94	-74.24
O=C([N-]C1=NN2C=NN=C2S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850652	1	26	-2.0	-76.12	268.70	1.94	-74.18
O=C(CN1CCCC1=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850797	0	36	-2.0	-100.53	330.62	-0.46	-100.99
O=C(CN1CCCC1=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850797	1	36	-2.0	-100.54	330.69	-0.46	-101.00
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCCO2)S1	REAL300019850992	0	34	-2.0	-101.62	310.23	0.61	-101.01
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCCO2)S1	REAL300019850992	1	34	-2.0	-101.61	310.29	0.62	-100.99
O=C([N-]C1=NN=C(C2CCCO2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850994	0	34	-2.0	-91.21	322.18	0.45	-90.76
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019851081	0	38	-2.0	-84.07	333.72	0.61	-83.46
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019851081	1	38	-2.0	-84.11	333.78	0.63	-83.48
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019851082	0	41	-2.0	-85.10	351.93	3.05	-82.05
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019851082	1	41	-2.0	-85.23	351.84	3.04	-82.19
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019851083	0	38	-2.0	-76.04	339.86	0.81	-75.23
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019851083	1	38	-2.0	-76.04	339.92	0.81	-75.23
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300019851100	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	REAL300019851100	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	REAL300019851100	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	REAL300019851100	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	REAL300019851101	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	REAL300019851101	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	REAL300019851101	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	REAL300019851101	1	36	-2.0	-79.46	310.47	1.91	-77.55
O=C([N-]N1C(=O)C2C3C=CC(O3)C2C1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851288	0	35	-2.0	-96.25	314.23	0.45	-95.80
O=C([N-]N1C(=O)C2C3C=CC(O3)C2C1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851288	1	35	-2.0	-96.23	314.29	0.45	-95.78
O=C(CCCC1=N[N-]N=N1)N1CC(C[N-]C(=O)C(F)(F)F)C1	REAL300019851310	1	35	-2.0	-81.77	324.79	-0.16	-81.93
O=C([N-]CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1)C(F)(F)F	REAL300019851312	1	35	-2.0	-75.44	332.74	-0.23	-75.67
O=C([N-]CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1)C(F)(F)F	REAL300019851312	1	35	-2.0	-75.45	332.81	-0.21	-75.66
CCOC1CC1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851359	0	36	-2.0	-90.98	331.67	-0.45	-91.43
CCOC1CC1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851359	1	36	-2.0	-90.95	331.74	-0.45	-91.40
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300019851389	0	36	-2.0	-81.01	307.03	3.34	-77.67
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300019851389	1	36	-2.0	-81.02	306.95	3.33	-77.69
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300019851389	1	36	-2.0	-80.88	307.13	3.35	-77.53
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300019851389	1	36	-2.0	-80.86	307.05	3.34	-77.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300019851390	0	33	-2.0	-76.80	295.57	1.12	-75.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300019851390	1	33	-2.0	-76.79	295.64	1.12	-75.67
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300019851390	1	33	-2.0	-76.80	295.64	1.12	-75.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300019851390	1	33	-2.0	-76.78	295.71	1.12	-75.66
O=C([N-]NC(=O)C1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851423	0	36	-2.0	-92.43	317.89	-0.99	-93.42
O=C([N-]NC(=O)C1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851423	1	36	-2.0	-92.45	317.96	-0.99	-93.44
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CN=N1	REAL300019851740	0	33	-2.0	-115.26	307.00	1.44	-113.82
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CN=N1	REAL300019851740	1	33	-2.0	-115.12	307.10	1.46	-113.66
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CN=N1	REAL300019851741	0	30	-2.0	-94.26	293.29	-1.63	-95.89
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CN=N1	REAL300019851741	1	30	-2.0	-94.26	293.22	-1.63	-95.89
O=C([N-]NC(=O)C1=CC=CN=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851741	1	30	-2.0	-98.23	293.25	-1.68	-99.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300019852179	0	42	-2.0	-98.27	358.21	2.33	-95.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300019852179	1	42	-2.0	-98.24	358.27	2.35	-95.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300019852198	0	42	-2.0	-114.31	368.98	1.75	-112.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300019852198	1	42	-2.0	-114.30	369.03	1.77	-112.53
CCOC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC(Cl)=C1[O-]	REAL300019852253	1	42	-2.0	-92.54	354.06	4.77	-87.77
CCOC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC(Cl)=C1[O-]	REAL300019852253	1	42	-2.0	-92.57	354.13	4.78	-87.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300019852551	0	42	-2.0	-100.12	352.69	2.05	-98.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300019852551	1	42	-2.0	-100.13	352.74	2.07	-98.06
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019853116	0	45	-2.0	-93.46	369.44	2.81	-90.65
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019853116	1	45	-2.0	-93.48	369.51	2.82	-90.66
CSC1=NC(C)=C(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)C(=O)[N-]1	REAL300019853138	1	46	-2.0	-103.68	384.38	3.60	-100.08
CSC1=NC(C)=C(CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)C(=O)[N-]1	REAL300019853138	1	46	-2.0	-103.67	384.44	3.61	-100.06
C=CCN1C(=O)C2=CC=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)C=C2[N-]C1=S	REAL300019853266	0	47	-2.0	-79.61	395.72	7.04	-72.57
C=CCN1C(=O)C2=CC=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)C=C2[N-]C1=S	REAL300019853266	1	47	-2.0	-79.62	395.76	7.05	-72.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1	REAL300019853267	0	43	-2.0	-90.26	359.81	5.22	-85.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1	REAL300019853267	1	43	-2.0	-90.31	359.87	5.23	-85.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C(=S)[N-]N=C1C1=CC=CS1	REAL300019853293	1	41	-2.0	-101.86	365.79	6.89	-94.97
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C(=S)[N-]N=C1C1=CC=CS1	REAL300019853293	1	41	-2.0	-101.84	365.84	6.90	-94.94
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019853347	1	47	-2.0	-96.23	397.83	8.74	-87.49
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019853347	1	47	-2.0	-96.24	397.90	8.75	-87.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S	REAL300019853348	0	43	-2.0	-110.30	370.72	6.40	-103.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S	REAL300019853348	1	43	-2.0	-110.26	370.78	6.43	-103.83
CCN1C(=O)C2=CC=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)C=C2[N-]C1=S	REAL300019853379	0	46	-2.0	-79.01	382.46	6.47	-72.54
CCN1C(=O)C2=CC=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)C=C2[N-]C1=S	REAL300019853379	1	46	-2.0	-79.04	382.49	6.49	-72.55
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1C(=O)C2=CC=CC=C2[N-]C1=S	REAL300019853399	0	46	-2.0	-101.89	389.55	6.82	-95.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1C(=O)C2=CC=CC=C2[N-]C1=S	REAL300019853399	1	46	-2.0	-101.87	389.60	6.83	-95.04
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019853435	1	47	-2.0	-118.15	395.24	8.38	-109.77
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019853435	1	47	-2.0	-118.12	395.29	8.39	-109.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Br)=CC=C1[O-]	REAL300019853482	1	35	-2.0	-94.11	306.55	5.07	-89.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Br)=CC=C1[O-]	REAL300019853482	1	35	-2.0	-94.12	306.60	5.06	-89.06
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300019853483	1	35	-2.0	-94.43	301.98	4.96	-89.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300019853483	1	35	-2.0	-94.45	302.03	4.96	-89.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300019853490	1	35	-2.0	-92.20	297.68	4.56	-87.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300019853490	1	35	-2.0	-92.24	297.73	4.56	-87.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300019853491	0	35	-2.0	-86.86	303.87	3.71	-83.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300019853491	1	35	-2.0	-86.96	303.89	3.71	-83.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019853495	1	41	-2.0	-102.65	330.64	6.73	-95.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019853495	1	41	-2.0	-102.62	330.61	6.73	-95.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019853498	0	37	-2.0	-97.16	313.98	4.93	-92.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019853498	1	37	-2.0	-97.14	314.05	4.92	-92.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019853707	0	42	-2.0	-80.42	344.53	0.46	-79.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019853707	1	42	-2.0	-80.42	344.45	0.46	-79.96
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019854035	0	48	-2.0	-100.24	401.17	4.02	-96.22
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019854035	1	48	-2.0	-100.23	401.23	4.03	-96.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=C([O-])N=C(N)S1	REAL300019854253	0	36	-2.0	-107.59	315.96	-1.00	-108.59
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=C([O-])N=C(N)S1	REAL300019854253	1	36	-2.0	-107.63	316.02	-0.99	-108.62
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019854376	0	45	-2.0	-99.70	379.67	3.23	-96.47
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019854376	1	45	-2.0	-99.71	379.73	3.25	-96.46
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019854409	1	44	-2.0	-109.48	372.31	6.63	-102.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019854409	1	44	-2.0	-109.51	372.37	6.64	-102.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300019854443	1	40	-2.0	-100.41	338.01	2.23	-98.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300019854443	1	40	-2.0	-100.42	338.07	2.24	-98.18
CC1=C(CC(=O)N(CC2=N[N-]N=N2)CC(C)C)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019854469	0	47	-2.0	-116.64	391.58	2.83	-113.81
CC1=C(CC(=O)N(CC2=NN=N[N-]2)CC(C)C)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019854469	1	47	-2.0	-116.56	391.64	2.84	-113.72
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019854622	1	46	-2.0	-108.72	373.94	3.52	-105.20
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019854622	1	46	-2.0	-108.76	373.99	3.54	-105.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1	REAL300019854642	0	46	-2.0	-97.98	387.54	-0.73	-98.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1	REAL300019854642	1	46	-2.0	-97.96	387.59	-0.72	-98.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300019854804	0	39	-2.0	-96.56	335.60	2.47	-94.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300019854804	1	39	-2.0	-96.55	335.66	2.48	-94.07
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCNC(=O)C1=NC=CC=C1[O-]	REAL300019854992	1	44	-2.0	-107.94	369.53	2.61	-105.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCNC(=O)C1=NC=CC=C1[O-]	REAL300019854992	1	44	-2.0	-107.97	369.59	2.62	-105.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(S(=O)(=O)[N-]CC(N)=O)O1	REAL300019855162	1	43	-2.0	-92.91	377.99	-3.54	-96.45
CC1=CC=C(N2[N-]C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=CC2=O)C=C1	REAL300019855172	0	45	-2.0	-99.02	367.22	6.41	-92.61
CC1=CC=C(N2[N-]C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=CC2=O)C=C1	REAL300019855172	1	45	-2.0	-99.02	367.27	6.43	-92.59
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019855200	0	37	-2.0	-91.37	321.28	2.33	-89.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019855200	1	37	-2.0	-91.42	321.33	2.34	-89.08
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019855307	0	43	-2.0	-102.75	366.12	2.66	-100.09
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019855307	1	43	-2.0	-102.72	366.07	2.64	-100.08
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=N2)C=C1	REAL300019855311	0	46	-2.0	-116.06	380.92	4.86	-111.20
COC1=CC=C(N2C=C([O-])C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=N2)C=C1	REAL300019855311	1	46	-2.0	-116.02	380.98	4.87	-111.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019855312	0	42	-2.0	-111.66	357.85	5.63	-106.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019855312	1	42	-2.0	-111.64	357.91	5.64	-106.00
CC1=CC(C)=NC(N2[N-]C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=CC2=O)=N1	REAL300019855313	0	46	-2.0	-107.10	386.56	6.85	-100.25
CC1=CC(C)=NC(N2[N-]C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=CC2=O)=N1	REAL300019855313	1	46	-2.0	-107.07	386.62	6.86	-100.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019855314	0	42	-2.0	-122.31	353.95	5.67	-116.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019855314	1	42	-2.0	-122.31	354.01	5.68	-116.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)CSC1=N[N-]C(=S)S1	REAL300019855409	0	34	-2.0	-82.36	328.93	3.45	-78.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)CSC1=N[N-]C(=S)S1	REAL300019855409	1	34	-2.0	-82.37	328.99	3.46	-78.91
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL300019855441	0	45	-2.0	-113.07	380.46	5.35	-107.72
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL300019855441	1	45	-2.0	-113.04	380.51	5.36	-107.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300019855563	0	51	-2.0	-119.23	411.89	7.36	-111.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300019855563	1	51	-2.0	-119.27	411.95	7.36	-111.91
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019855644	0	37	-2.0	-84.60	313.75	3.54	-81.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019855644	1	37	-2.0	-84.60	313.81	3.56	-81.04
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)S1	REAL300019855647	0	51	-2.0	-96.01	426.85	4.49	-91.52
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N(CC2=NN=N[N-]2)CC(C)C)S1	REAL300019855647	1	51	-2.0	-96.05	426.91	4.51	-91.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1	REAL300019855693	0	48	-2.0	-95.90	407.94	3.73	-92.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1	REAL300019855693	1	48	-2.0	-95.95	408.00	3.75	-92.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(Br)=C1[O-]	REAL300019855752	0	35	-2.0	-113.65	304.11	4.99	-108.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(Br)=C1[O-]	REAL300019855752	1	35	-2.0	-113.64	304.17	5.01	-108.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1[O-]	REAL300019855757	1	52	-2.0	-105.66	403.01	4.30	-101.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019855767	0	37	-2.0	-103.65	321.61	5.42	-98.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019855767	1	37	-2.0	-103.65	321.67	5.44	-98.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019855834	0	37	-2.0	-91.06	313.44	5.12	-85.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019855834	1	37	-2.0	-91.07	313.49	5.12	-85.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(Br)C=C1[O-]	REAL300019855835	1	35	-2.0	-92.47	302.23	4.66	-87.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(Br)C=C1[O-]	REAL300019855835	1	35	-2.0	-92.46	302.28	4.67	-87.79
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019855838	0	41	-2.0	-115.62	342.56	7.07	-108.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019855838	1	41	-2.0	-115.62	342.61	7.09	-108.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C([O-])C=CC=C1Cl	REAL300019855851	1	35	-2.0	-98.26	302.99	4.07	-94.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C([O-])C=CC=C1Cl	REAL300019855851	1	35	-2.0	-98.26	303.05	4.08	-94.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300019856090	0	35	-2.0	-114.84	299.72	4.88	-109.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300019856090	1	35	-2.0	-114.90	299.78	4.90	-110.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019856136	1	38	-2.0	-98.09	330.89	4.45	-93.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019856136	1	38	-2.0	-98.10	330.94	4.47	-93.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019857211	0	37	-2.0	-83.91	321.32	2.34	-81.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019857211	1	37	-2.0	-83.93	321.38	2.35	-81.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019857257	0	42	-2.0	-117.96	352.96	5.30	-112.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019857257	1	42	-2.0	-117.99	353.02	5.32	-112.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019857296	1	40	-2.0	-119.74	330.78	6.75	-112.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019857296	1	40	-2.0	-119.70	330.84	6.77	-112.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019857466	0	42	-2.0	-117.92	363.29	5.76	-112.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019857466	1	42	-2.0	-117.88	363.35	5.77	-112.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019857467	0	42	-2.0	-112.83	361.20	5.60	-107.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019857467	1	42	-2.0	-112.82	361.26	5.62	-107.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019857581	0	40	-2.0	-99.58	330.05	2.60	-96.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019857581	1	40	-2.0	-99.60	330.13	2.59	-97.01
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019857683	0	42	-2.0	-119.88	351.69	5.44	-114.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019857683	1	42	-2.0	-119.86	351.76	5.44	-114.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-]	REAL300019857777	0	40	-2.0	-101.14	339.46	-0.60	-101.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-]	REAL300019857777	1	40	-2.0	-101.15	339.51	-0.59	-101.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019857894	0	38	-2.0	-94.24	323.01	5.41	-88.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019857894	1	38	-2.0	-94.21	323.08	5.40	-88.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019857897	0	40	-2.0	-99.23	335.48	2.68	-96.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019857897	1	40	-2.0	-99.25	335.54	2.69	-96.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019857974	0	37	-2.0	-87.77	323.66	5.93	-81.84
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019857974	1	37	-2.0	-87.70	323.71	5.93	-81.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019858005	1	40	-2.0	-129.46	324.52	4.81	-124.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019858005	1	40	-2.0	-129.45	324.58	4.83	-124.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NC=C(Br)C=C1[O-]	REAL300019859260	0	34	-2.0	-104.95	301.66	5.00	-99.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=C(Br)C=C1[O-]	REAL300019859260	1	34	-2.0	-104.93	301.72	5.01	-99.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-]	REAL300019859430	1	44	-2.0	-119.91	379.31	5.80	-114.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-]	REAL300019859430	1	44	-2.0	-119.88	379.37	5.81	-114.07
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019859464	0	39	-2.0	-94.62	349.52	4.03	-90.59
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019859464	1	39	-2.0	-94.59	349.58	4.04	-90.55
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019859482	0	35	-2.0	-89.00	313.78	5.04	-83.96
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019859482	1	35	-2.0	-88.96	313.83	5.07	-83.89
CC1=CC(C=O)=C([O-])C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=C1	REAL300019859488	1	40	-2.0	-97.32	335.88	3.97	-93.35
CC1=CC(C=O)=C([O-])C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=C1	REAL300019859488	1	40	-2.0	-97.34	335.93	3.98	-93.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CC(=O)N(CC(C)C)[N-]1	REAL300019859597	0	47	-2.0	-102.69	378.99	4.59	-98.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CC(=O)N(CC(C)C)[N-]1	REAL300019859597	1	47	-2.0	-102.69	379.04	4.60	-98.09
COC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC([N+](=O)[O-])=C1[O-]	REAL300019859663	0	41	-2.0	-94.87	342.05	4.80	-90.07
COC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC([N+](=O)[O-])=C1[O-]	REAL300019859663	1	41	-2.0	-94.86	342.07	4.81	-90.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019859664	0	35	-2.0	-92.30	307.69	5.02	-87.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019859664	1	35	-2.0	-92.30	307.74	5.02	-87.28
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300019859706	0	35	-2.0	-87.68	303.93	3.67	-84.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300019859706	1	35	-2.0	-87.68	303.95	3.67	-84.01
COC(=O)C1=CC2=C(C=C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)O2)[N-]1	REAL300019859824	1	41	-2.0	-88.93	352.54	4.11	-84.82
COC(=O)C1=CC2=C(C=C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)O2)[N-]1	REAL300019859824	1	41	-2.0	-88.92	352.59	4.12	-84.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=CC(F)=C1[O-]	REAL300019859881	0	35	-2.0	-97.91	305.02	3.62	-94.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=CC(F)=C1[O-]	REAL300019859881	1	35	-2.0	-97.93	305.12	3.64	-94.29
COCC1=NC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(=O)[N-]1	REAL300019860143	1	40	-2.0	-98.92	340.20	0.33	-98.59
COCC1=NC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(=O)[N-]1	REAL300019860143	1	40	-2.0	-98.96	340.26	0.34	-98.62
CC1=CC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=CC([N+](=O)[O-])=C1[O-]	REAL300019860282	0	40	-2.0	-94.65	331.27	5.36	-89.29
CC1=CC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=CC([N+](=O)[O-])=C1[O-]	REAL300019860282	1	40	-2.0	-94.60	331.32	5.37	-89.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)C([O-])=C1F	REAL300019860286	0	35	-2.0	-107.91	296.42	3.01	-104.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)C([O-])=C1F	REAL300019860286	1	35	-2.0	-107.88	296.48	3.03	-104.85
CC1=CC([O-])=C(Cl)C=C1C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019860299	0	38	-2.0	-89.67	330.52	4.54	-85.13
CC1=CC([O-])=C(Cl)C=C1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019860299	1	38	-2.0	-89.70	330.58	4.55	-85.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300019860470	0	35	-2.0	-90.20	312.16	1.62	-88.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300019860470	1	35	-2.0	-90.18	312.21	1.64	-88.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O	REAL300019860860	0	43	-2.0	-115.52	345.18	0.32	-115.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O	REAL300019860860	1	43	-2.0	-115.56	345.25	0.34	-115.22
CCOC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC(Cl)=C1[O-]	REAL300019862212	1	37	-2.0	-98.47	326.43	3.05	-95.42
CCOC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC(Cl)=C1[O-]	REAL300019862212	1	37	-2.0	-98.48	326.49	3.05	-95.43
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300019862434	1	44	-2.0	-97.98	380.47	3.46	-94.52
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300019862434	1	44	-2.0	-97.97	380.53	3.45	-94.52
CSC1=NC(C)=C(CCC(=O)NC2(C3=N[N-]N=N3)CCC2)C(=O)[N-]1	REAL300019863000	1	41	-2.0	-101.34	353.41	1.58	-99.76
CSC1=NC(C)=C(CCC(=O)NC2(C3=NN=N[N-]3)CCC2)C(=O)[N-]1	REAL300019863000	1	41	-2.0	-101.33	353.47	1.57	-99.76
C=CCN1C(=O)C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2[N-]C1=S	REAL300019863104	0	42	-2.0	-98.59	367.35	5.35	-93.24
C=CCN1C(=O)C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2[N-]C1=S	REAL300019863104	1	42	-2.0	-98.61	367.42	5.35	-93.26
CN1C(=O)C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2[N-]C1=S	REAL300019863105	0	38	-2.0	-96.94	332.95	3.74	-93.20
CN1C(=O)C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2[N-]C1=S	REAL300019863105	1	38	-2.0	-96.96	333.01	3.74	-93.22
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300019863110	1	36	-2.0	-123.43	334.76	4.89	-118.54
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1(C2=NN=N[N-]2)CCC1	REAL300019863110	1	36	-2.0	-123.49	334.82	4.88	-118.61
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300019863133	1	39	-2.0	-121.35	358.88	6.24	-115.11
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300019863133	1	39	-2.0	-121.37	358.94	6.24	-115.13
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019863134	1	42	-2.0	-126.78	363.56	6.40	-120.38
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019863134	1	42	-2.0	-126.76	363.62	6.40	-120.36
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1(C2=N[N-]N=N2)CCC1	REAL300019863135	0	38	-2.0	-110.67	336.75	4.32	-106.35
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1(C2=NN=N[N-]2)CCC1	REAL300019863135	1	38	-2.0	-110.72	336.81	4.31	-106.41
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019863157	1	45	-2.0	-106.88	383.42	6.96	-99.92
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019863157	1	45	-2.0	-106.89	383.49	6.95	-99.94
CCN1C(=O)C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2[N-]C1=S	REAL300019863158	0	41	-2.0	-97.65	354.07	4.79	-92.86
CCN1C(=O)C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2[N-]C1=S	REAL300019863158	1	41	-2.0	-97.68	354.14	4.79	-92.89
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1(C2=N[N-]N=N2)CCC1	REAL300019863169	0	41	-2.0	-107.35	357.32	4.77	-102.58
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1(C2=NN=N[N-]2)CCC1	REAL300019863169	1	41	-2.0	-107.36	357.38	4.76	-102.60
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300019863198	1	43	-2.0	-112.77	371.59	5.03	-107.74
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300019863198	1	43	-2.0	-112.72	371.65	5.03	-107.69
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019863199	1	42	-2.0	-127.00	363.23	6.38	-120.62
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019863199	1	42	-2.0	-127.05	363.30	6.38	-120.67
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300019863238	0	45	-2.0	-122.58	379.37	2.02	-120.56
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300019863238	1	45	-2.0	-122.59	379.43	2.03	-120.56
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(Br)=CC=C1[O-]	REAL300019863239	1	30	-2.0	-116.12	278.26	3.53	-112.59
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(Br)=CC=C1[O-]	REAL300019863239	1	30	-2.0	-116.10	278.32	3.54	-112.56
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019863246	1	36	-2.0	-127.67	301.96	5.25	-122.42
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019863246	1	36	-2.0	-127.69	301.90	5.25	-122.44
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019863248	0	32	-2.0	-105.16	285.36	3.23	-101.93
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019863248	1	32	-2.0	-105.18	285.42	3.22	-101.96
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)[N-]1	REAL300019863346	0	46	-2.0	-100.75	391.63	4.60	-96.15
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)[N-]1	REAL300019863346	1	46	-2.0	-100.75	391.70	4.60	-96.15
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300019863388	1	43	-2.0	-94.13	375.51	1.69	-92.44
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019863423	0	37	-2.0	-96.18	317.35	-1.23	-97.41
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019863423	1	37	-2.0	-96.13	317.28	-1.23	-97.36
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300019863546	1	32	-2.0	-106.87	300.17	3.38	-103.49
CC(C(=O)NC1(C2=N[N-]N=N2)CCC1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019863988	1	39	-2.0	-127.86	345.82	4.93	-122.93
CC(C(=O)NC1(C2=NN=N[N-]2)CCC1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019863988	1	39	-2.0	-127.82	345.89	4.92	-122.90
O=C(CCN1C=C[N-]C(=O)C1=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019864014	1	35	-2.0	-98.04	304.12	0.09	-97.95
O=C(CCN1C=C[N-]C(=O)C1=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019864014	1	35	-2.0	-98.05	304.18	0.09	-97.96
CC1=C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019864039	0	42	-2.0	-135.36	360.59	0.79	-134.57
CC1=C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019864039	1	42	-2.0	-135.39	360.65	0.79	-134.60
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019864151	1	41	-2.0	-115.53	339.97	1.39	-114.14
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019864151	1	41	-2.0	-115.58	340.03	1.39	-114.19
O=C(CCC(=O)NC1(C2=N[N-]N=N2)CCC1)[N-]C1=NN=C(C2CC2)O1	REAL300019864161	0	41	-2.0	-104.88	353.55	-2.85	-107.73
O=C(CCC(=O)NC1(C2=NN=N[N-]2)CCC1)[N-]C1=NN=C(C2CC2)O1	REAL300019864161	1	41	-2.0	-104.85	353.61	-2.86	-107.71
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300019864221	0	38	-2.0	-103.18	337.98	3.10	-100.08
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300019864221	1	38	-2.0	-103.20	337.92	3.11	-100.09
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019864285	0	34	-2.0	-106.47	301.62	0.39	-106.08
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019864285	1	34	-2.0	-106.49	301.68	0.39	-106.10
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1(C2=N[N-]N=N2)CCC1	REAL300019864413	1	39	-2.0	-118.12	335.55	0.48	-117.64
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1(C2=NN=N[N-]2)CCC1	REAL300019864413	1	39	-2.0	-118.15	335.62	0.48	-117.67
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)O1	REAL300019864534	1	38	-2.0	-96.31	350.40	-5.63	-101.94
CC1=CC=C(N2[N-]C(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CC2=O)C=C1	REAL300019864542	0	40	-2.0	-106.14	339.91	3.87	-102.27
CC1=CC=C(N2[N-]C(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CC2=O)C=C1	REAL300019864542	1	40	-2.0	-106.17	339.97	3.87	-102.30
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019864565	0	32	-2.0	-97.81	292.35	0.84	-96.97
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019864565	1	32	-2.0	-97.79	292.42	0.83	-96.96
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019864647	0	38	-2.0	-102.17	324.21	1.20	-100.97
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019864647	1	38	-2.0	-102.21	324.14	1.20	-101.01
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)C=C1	REAL300019864649	0	41	-2.0	-127.71	349.37	2.04	-125.67
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C4=NN=N[N-]4)CCC3)=N2)C=C1	REAL300019864649	1	41	-2.0	-127.71	349.44	2.04	-125.67
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019864650	0	37	-2.0	-123.46	326.30	2.81	-120.65
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019864650	1	37	-2.0	-123.43	326.36	2.81	-120.62
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3(C4=N[N-]N=N4)CCC3)=CC2=O)=N1	REAL300019864651	0	41	-2.0	-113.93	355.44	4.27	-109.66
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CC2=O)=N1	REAL300019864651	1	41	-2.0	-113.91	355.51	4.28	-109.63
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019864653	0	37	-2.0	-132.29	324.39	2.90	-129.39
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019864653	1	37	-2.0	-132.26	324.45	2.90	-129.36
COC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019864694	0	45	-2.0	-120.13	384.55	-0.31	-120.44
COC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019864694	1	45	-2.0	-120.15	384.61	-0.32	-120.47
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019864729	1	45	-2.0	-96.95	383.64	6.95	-90.00
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019864729	1	45	-2.0	-96.94	383.70	6.95	-89.99
O=C(CSC1=N[N-]C(=S)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300019864730	0	29	-2.0	-88.52	297.93	1.39	-87.13
O=C(CSC1=N[N-]C(=S)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300019864730	1	29	-2.0	-88.53	297.99	1.38	-87.15
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300019864756	0	40	-2.0	-124.69	347.61	3.76	-120.93
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300019864756	1	40	-2.0	-124.69	347.67	3.76	-120.93
COC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C1(C2=N[N-]N=N2)CCC1	REAL300019864777	1	36	-2.0	-115.06	317.09	2.29	-112.77
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)C=C1	REAL300019864850	0	46	-2.0	-128.18	380.08	4.67	-123.51
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C4=NN=N[N-]4)CCC3)=N2)C=C1	REAL300019864850	1	46	-2.0	-128.15	380.14	4.67	-123.48
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019864908	0	32	-2.0	-89.72	287.60	2.08	-87.64
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019864908	1	32	-2.0	-89.74	287.67	2.07	-87.67
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300019864911	0	46	-2.0	-103.04	391.62	2.25	-100.79
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300019864911	1	46	-2.0	-103.06	391.68	2.24	-100.82
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300019864936	0	43	-2.0	-102.70	373.96	1.61	-101.09
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300019864936	1	43	-2.0	-102.71	374.03	1.60	-101.11
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC(Br)=C1[O-]	REAL300019864978	0	30	-2.0	-118.37	277.39	3.55	-114.82
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=CC(Br)=C1[O-]	REAL300019864978	1	30	-2.0	-118.43	277.45	3.55	-114.88
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C([O-])=C1	REAL300019864982	1	47	-2.0	-123.88	378.91	3.16	-120.72
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019864989	0	32	-2.0	-125.60	282.98	4.17	-121.43
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019864989	1	32	-2.0	-125.61	283.04	4.17	-121.44
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(I)=CC=C1[O-]	REAL300019865041	1	30	-2.0	-116.65	284.74	4.01	-112.64
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(I)=CC=C1[O-]	REAL300019865041	1	30	-2.0	-116.66	284.81	4.01	-112.65
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019865042	0	32	-2.0	-105.58	285.13	3.58	-102.00
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019865042	1	32	-2.0	-105.53	285.20	3.58	-101.95
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(Br)C=C1[O-]	REAL300019865043	1	30	-2.0	-118.58	278.25	3.53	-115.05
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(Br)C=C1[O-]	REAL300019865043	1	30	-2.0	-118.55	278.32	3.54	-115.01
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019865045	0	36	-2.0	-119.73	316.16	5.66	-114.07
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019865045	1	36	-2.0	-119.73	316.23	5.66	-114.07
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300019865200	0	37	-2.0	-95.32	342.02	0.89	-94.43
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300019865200	1	37	-2.0	-95.37	342.08	0.89	-94.48
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019865246	1	33	-2.0	-116.83	295.65	3.91	-112.92
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019865246	1	33	-2.0	-116.78	295.71	3.91	-112.87
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=C(F)C=CC=C1F	REAL300019865290	0	32	-2.0	-117.95	292.33	2.86	-115.09
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=CC=CC=C1F	REAL300019865377	1	32	-2.0	-116.20	288.03	2.84	-113.36
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(I)C([O-])=C1	REAL300019865396	1	30	-2.0	-91.92	286.05	2.57	-89.35
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(I)C([O-])=C1	REAL300019865396	1	30	-2.0	-91.95	286.12	2.56	-89.39
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019865406	0	35	-2.0	-90.71	321.88	-0.28	-90.99
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019865406	1	35	-2.0	-90.73	321.94	-0.28	-91.01
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019865407	0	34	-2.0	-92.13	294.82	1.49	-90.64
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019865407	1	34	-2.0	-92.16	294.88	1.50	-90.66
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019865408	0	30	-2.0	-94.94	281.58	2.08	-92.86
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019865408	1	30	-2.0	-94.94	281.65	2.08	-92.86
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019865424	0	38	-2.0	-102.13	323.38	0.23	-101.90
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019865424	1	38	-2.0	-102.10	323.45	0.23	-101.87
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC(I)=C1[O-]	REAL300019865426	0	30	-2.0	-115.73	283.66	4.02	-111.71
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=CC(I)=C1[O-]	REAL300019865426	1	30	-2.0	-115.70	283.72	4.03	-111.67
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019865436	0	41	-2.0	-122.21	351.65	0.94	-121.27
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019865436	1	41	-2.0	-122.20	351.72	0.95	-121.25
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019865446	0	40	-2.0	-131.52	349.79	4.18	-127.34
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019865446	1	40	-2.0	-131.52	349.85	4.18	-127.34
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019865453	0	32	-2.0	-99.28	285.33	3.26	-96.02
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019865453	1	32	-2.0	-99.30	285.39	3.25	-96.05
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019865454	0	30	-2.0	-105.04	275.98	1.64	-103.40
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019865454	1	30	-2.0	-105.01	276.04	1.64	-103.37
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019865487	0	32	-2.0	-113.63	285.13	3.58	-110.05
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019865487	1	32	-2.0	-113.63	285.19	3.58	-110.05
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=NC=CS1	REAL300019865502	1	28	-2.0	-113.86	269.76	0.01	-113.85
COC1=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)NC(=O)[N-]C1=O	REAL300019865573	1	33	-2.0	-96.34	287.47	-2.97	-99.31
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300019865603	1	31	-2.0	-90.39	279.57	0.94	-89.45
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300019865603	1	31	-2.0	-90.44	279.64	0.93	-89.51
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019865675	1	32	-2.0	-108.16	292.39	4.33	-103.83
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019865675	1	32	-2.0	-108.21	292.45	4.32	-103.89
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300019865685	0	39	-2.0	-110.70	344.08	3.50	-107.20
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300019865685	1	39	-2.0	-105.58	344.17	3.57	-102.01
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300019865685	1	39	-2.0	-110.69	344.15	3.51	-107.18
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300019865685	1	39	-2.0	-105.54	344.24	3.57	-101.97
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)=C1	REAL300019865772	0	40	-2.0	-133.23	344.66	3.39	-129.84
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C4=NN=N[N-]4)CCC3)=N2)=C1	REAL300019865772	1	40	-2.0	-133.21	344.72	3.38	-129.83
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)=C1	REAL300019865781	0	46	-2.0	-129.09	380.09	4.66	-124.43
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C4=NN=N[N-]4)CCC3)=N2)=C1	REAL300019865781	1	46	-2.0	-129.13	380.15	4.66	-124.47
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019865970	0	32	-2.0	-101.07	292.44	0.83	-100.24
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019865970	1	32	-2.0	-101.10	292.50	0.82	-100.28
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019866008	0	37	-2.0	-126.08	326.30	2.81	-123.27
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019866008	1	37	-2.0	-126.05	326.36	2.81	-123.24
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019866033	1	35	-2.0	-127.97	299.52	3.56	-124.41
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019866033	1	35	-2.0	-127.95	299.45	3.56	-124.39
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=CC=CC=C1Br	REAL300019866059	1	32	-2.0	-111.58	298.78	3.21	-108.37
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019866140	0	40	-2.0	-131.52	349.79	4.18	-127.34
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019866140	1	40	-2.0	-131.52	349.85	4.18	-127.34
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019866141	0	37	-2.0	-125.90	336.62	3.26	-122.64
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019866141	1	37	-2.0	-125.92	336.68	3.26	-122.66
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019866142	0	37	-2.0	-126.61	329.66	2.78	-123.83
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019866142	1	37	-2.0	-126.60	329.73	2.78	-123.82
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=C(Br)C(=O)[N-]C=N1	REAL300019867251	0	28	-2.0	-95.66	266.18	-0.16	-95.82
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=C(Br)C(=O)[N-]C=N1	REAL300019867251	1	28	-2.0	-95.65	266.25	-0.16	-95.81
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)[N-]C1(C2=N[N-]N=N2)CCC1	REAL300019867312	1	36	-2.0	-114.73	327.41	2.75	-111.98
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NC=C(Br)C=C1[O-]	REAL300019867346	0	29	-2.0	-112.79	275.52	1.81	-110.98
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=NC=C(Br)C=C1[O-]	REAL300019867346	1	29	-2.0	-112.81	275.59	1.81	-111.00
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=NC=CC=C1Br	REAL300019867421	1	31	-2.0	-117.50	293.73	2.21	-115.29
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)O1	REAL300019867471	1	39	-2.0	-128.53	340.63	5.06	-123.47
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)O1	REAL300019867471	1	39	-2.0	-128.51	340.70	5.07	-123.44
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019867508	0	30	-2.0	-111.77	289.69	3.95	-107.82
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019867508	1	30	-2.0	-111.76	289.75	3.95	-107.81
CC1=CC(C=O)=C([O-])C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019867509	1	35	-2.0	-133.79	299.43	4.43	-129.36
CC1=CC(C=O)=C([O-])C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019867509	1	35	-2.0	-133.79	299.49	4.43	-129.36
CC(C)CN1[N-]C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC1=O	REAL300019867596	0	42	-2.0	-112.72	345.06	2.46	-110.26
CC(C)CN1[N-]C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC1=O	REAL300019867596	1	42	-2.0	-112.74	345.12	2.45	-110.29
CC1=CC(C(F)(F)C(=O)[N-]C2(C3=N[N-]N=N3)CCC2)=CN=C1Cl	REAL300019867635	1	34	-2.0	-105.20	314.09	2.08	-103.12
COC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019867650	0	36	-2.0	-95.21	314.51	3.07	-92.14
COC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019867650	1	36	-2.0	-95.17	314.58	3.07	-92.10
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019867651	0	30	-2.0	-120.05	279.31	3.47	-116.58
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019867651	1	30	-2.0	-120.07	279.38	3.48	-116.59
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300019867683	1	31	-2.0	-103.37	295.29	1.48	-101.89
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=CSC=N1	REAL300019867725	1	28	-2.0	-114.40	267.34	0.51	-113.89
COC(=O)C1=CC2=C(C=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)O2)[N-]1	REAL300019867764	1	36	-2.0	-93.77	320.57	1.78	-91.99
COC(=O)C1=CC2=C(C=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)O2)[N-]1	REAL300019867764	1	36	-2.0	-93.75	320.64	1.78	-91.97
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=CC=CC(Br)=C1	REAL300019867780	1	32	-2.0	-108.43	304.74	3.47	-104.96
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=CN=CS1	REAL300019867989	1	28	-2.0	-106.69	269.86	0.14	-106.55
COCC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C(=O)[N-]1	REAL300019867995	1	35	-2.0	-100.20	300.73	-1.32	-101.52
COCC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C(=O)[N-]1	REAL300019867995	1	35	-2.0	-100.18	300.80	-1.33	-101.51
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019868097	0	35	-2.0	-92.24	305.38	3.97	-88.27
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019868097	1	35	-2.0	-92.24	305.44	3.96	-88.28
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300019868100	0	29	-2.0	-98.73	284.59	-0.23	-98.96
O=C([N-]C1(C2=NN=N[N-]2)CCC1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300019868100	1	29	-2.0	-98.73	284.66	-0.23	-98.96
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300019868111	0	33	-2.0	-93.27	291.16	2.70	-90.57
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300019868111	1	33	-2.0	-93.30	291.22	2.71	-90.59
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=C(Br)[N-]N=C1Br	REAL300019868133	1	26	-2.0	-92.27	275.49	0.69	-91.58
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=C(Br)[N-]N=C1Br	REAL300019868133	1	26	-2.0	-92.26	275.56	0.69	-91.57
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=CC=C(F)C=C1F	REAL300019868192	0	32	-2.0	-108.57	294.44	2.90	-105.67
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019869439	0	43	-2.0	-93.52	360.00	2.14	-91.38
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019869439	1	43	-2.0	-93.49	360.06	2.16	-91.33
CCOC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=CC(Cl)=C1[O-]	REAL300019869504	1	43	-2.0	-90.26	363.88	4.73	-85.53
CCOC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=CC(Cl)=C1[O-]	REAL300019869504	1	43	-2.0	-90.26	363.94	4.75	-85.51
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019869799	0	43	-2.0	-87.68	364.81	2.20	-85.48
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019869799	1	43	-2.0	-87.72	364.87	2.22	-85.50
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300019870335	0	46	-2.0	-94.55	379.82	2.80	-91.75
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300019870335	1	46	-2.0	-94.53	379.88	2.82	-91.71
CSC1=NC(C)=C(CCC(=O)N2CCC(CC3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019870356	1	47	-2.0	-91.20	390.37	3.60	-87.60
CSC1=NC(C)=C(CCC(=O)N2CCC(CC3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019870356	1	47	-2.0	-91.19	390.44	3.62	-87.57
CN1C(=O)C2=CC=C(C(=O)N3CCC(CC4=N[N-]N=N4)CC3)C=C2[N-]C1=S	REAL300019870470	0	44	-2.0	-84.21	370.31	5.55	-78.66
CN1C(=O)C2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)C=C2[N-]C1=S	REAL300019870470	1	44	-2.0	-84.24	370.37	5.57	-78.67
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019870494	1	42	-2.0	-97.51	371.79	6.87	-90.64
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019870494	1	42	-2.0	-97.53	371.85	6.89	-90.64
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300019870545	1	48	-2.0	-103.13	400.24	8.37	-94.76
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300019870545	1	48	-2.0	-103.13	400.30	8.39	-94.74
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019870546	0	44	-2.0	-92.57	373.80	6.30	-86.27
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019870546	1	44	-2.0	-92.59	373.86	6.31	-86.28
CCN1C(=O)C2=CC=C(C(=O)N3CCC(CC4=N[N-]N=N4)CC3)C=C2[N-]C1=S	REAL300019870572	0	47	-2.0	-84.60	391.58	6.47	-78.13
CCN1C(=O)C2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)C=C2[N-]C1=S	REAL300019870572	1	47	-2.0	-84.58	391.64	6.49	-78.09
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019870587	0	47	-2.0	-89.76	394.29	6.79	-82.97
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019870587	1	47	-2.0	-89.77	394.35	6.81	-82.96
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300019870619	1	48	-2.0	-99.49	400.63	8.35	-91.14
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300019870619	1	48	-2.0	-99.50	400.70	8.37	-91.13
O=C(C1=CC(Br)=CC=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019870658	1	36	-2.0	-94.84	317.11	4.59	-90.25
O=C(C1=CC(Br)=CC=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019870658	1	36	-2.0	-94.85	317.17	4.61	-90.24
O=C(C1=CC(Cl)=CC=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019870659	1	36	-2.0	-94.85	312.55	4.48	-90.37
O=C(C1=CC(Cl)=CC=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019870659	1	36	-2.0	-94.87	312.61	4.49	-90.38
O=C(C1=CC=C(Cl)C=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019870668	1	36	-2.0	-94.36	314.14	4.01	-90.35
O=C(C1=CC=C(Cl)C=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019870668	1	36	-2.0	-94.34	314.20	4.03	-90.31
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019870669	0	36	-2.0	-85.08	311.06	3.65	-81.43
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019870669	1	36	-2.0	-85.10	311.12	3.66	-81.44
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019870675	1	42	-2.0	-101.01	339.00	6.64	-94.37
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019870678	0	38	-2.0	-89.80	321.01	4.85	-84.95
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019870678	1	38	-2.0	-89.82	321.07	4.87	-84.95
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019870874	0	43	-2.0	-84.99	352.98	0.39	-84.60
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019870874	1	43	-2.0	-84.98	353.04	0.40	-84.58
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019871190	0	49	-2.0	-95.42	402.96	3.83	-91.59
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019871190	1	49	-2.0	-95.46	403.02	3.85	-91.61
NC1=NC([O-])=C(CC(=O)N2CCC(CC3=N[N-]N=N3)CC2)S1	REAL300019871412	0	37	-2.0	-102.42	320.73	-1.03	-103.45
NC1=NC([O-])=C(CC(=O)N2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300019871412	1	37	-2.0	-102.41	320.79	-1.01	-103.42
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019871527	0	46	-2.0	-94.93	381.46	3.04	-91.89
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019871527	1	46	-2.0	-94.95	381.53	3.06	-91.89
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019871590	1	41	-2.0	-92.97	341.04	2.15	-90.82
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019871590	1	41	-2.0	-92.93	341.10	2.16	-90.77
CC1=C(CC(=O)N2CCC(CC3=N[N-]N=N3)CC2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019871616	0	48	-2.0	-111.59	397.60	2.85	-108.74
CC1=C(CC(=O)N2CCC(CC3=NN=N[N-]3)CC2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019871616	1	48	-2.0	-111.58	397.66	2.86	-108.72
O=C(CCC(=O)N1CCC(CC2=N[N-]N=N2)CC1)[N-]C1=NN=C(C2CC2)O1	REAL300019871782	0	47	-2.0	-91.78	390.55	-0.82	-92.60
O=C(CCC(=O)N1CCC(CC2=NN=N[N-]2)CC1)[N-]C1=NN=C(C2CC2)O1	REAL300019871782	1	47	-2.0	-91.78	390.61	-0.80	-92.58
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019871927	0	40	-2.0	-86.90	338.62	2.38	-84.52
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019871927	1	40	-2.0	-86.95	338.68	2.39	-84.56
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019872102	1	45	-2.0	-98.46	372.51	2.51	-95.95
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019872102	1	45	-2.0	-98.42	372.58	2.52	-95.90
CC1=CC=C(N2[N-]C(C(=O)N3CCC(CC4=N[N-]N=N4)CC3)=CC2=O)C=C1	REAL300019872283	0	46	-2.0	-91.02	374.11	6.14	-84.88
CC1=CC=C(N2[N-]C(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)=CC2=O)C=C1	REAL300019872283	1	46	-2.0	-91.03	374.17	6.15	-84.88
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019872310	0	38	-2.0	-85.83	329.87	2.52	-83.31
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019872310	1	38	-2.0	-85.91	329.93	2.53	-83.38
CCN1[N-]C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=CC1=O	REAL300019872324	0	39	-2.0	-85.51	320.85	2.84	-82.67
CCN1[N-]C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=CC1=O	REAL300019872324	1	39	-2.0	-85.49	320.91	2.85	-82.64
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019872424	0	44	-2.0	-101.59	369.46	2.68	-98.91
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019872424	1	44	-2.0	-101.60	369.40	2.67	-98.93
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC4=N[N-]N=N4)CC3)=N2)C=C1	REAL300019872428	0	47	-2.0	-102.77	383.72	4.29	-98.48
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)=N2)C=C1	REAL300019872428	1	47	-2.0	-102.77	383.78	4.30	-98.47
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019872429	0	43	-2.0	-99.15	360.34	5.02	-94.13
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019872429	1	43	-2.0	-99.17	360.40	5.04	-94.13
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC(CC4=N[N-]N=N4)CC3)=CC2=O)=N1	REAL300019872430	0	47	-2.0	-100.10	389.63	6.53	-93.57
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)=CC2=O)=N1	REAL300019872430	1	47	-2.0	-100.10	389.70	6.55	-93.55
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019872431	0	43	-2.0	-108.84	356.62	5.05	-103.79
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019872431	1	43	-2.0	-108.88	356.69	5.07	-103.81
O=C(CSC1=N[N-]C(=S)S1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019872526	0	35	-2.0	-81.27	334.89	3.46	-77.81
O=C(CSC1=N[N-]C(=S)S1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019872526	1	35	-2.0	-81.25	334.95	3.47	-77.78
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL300019872560	0	46	-2.0	-102.51	381.11	5.96	-96.55
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300019872560	1	46	-2.0	-102.47	381.17	5.98	-96.49
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)=N2)C=C1	REAL300019872680	0	52	-2.0	-103.35	414.18	6.91	-96.44
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC4=N[N-]N=N4)CC3)=N2)C=C1	REAL300019872680	1	52	-2.0	-103.38	414.12	6.87	-96.51
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019872760	0	38	-2.0	-83.76	325.02	3.78	-79.98
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019872760	1	38	-2.0	-83.71	325.08	3.79	-79.92
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCC(CC3=N[N-]N=N3)CC2)S1	REAL300019872809	0	49	-2.0	-89.28	410.96	3.65	-85.63
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300019872809	1	49	-2.0	-89.25	411.02	3.66	-85.59
O=C(C1=NNC(=O)[N-]C1=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019872853	0	34	-2.0	-86.80	292.16	-3.47	-90.27
O=C(C1=NNC(=O)[N-]C1=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019872853	1	34	-2.0	-86.75	292.23	-3.46	-90.21
O=C(C1=CC=CC(Br)=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019872868	0	36	-2.0	-97.01	316.26	4.63	-92.38
O=C(C1=CC=CC(Br)=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019872868	1	36	-2.0	-97.03	316.33	4.64	-92.39
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019872882	0	38	-2.0	-103.55	321.86	5.52	-98.03
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019872882	1	38	-2.0	-103.56	321.92	5.53	-98.03
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019872952	0	38	-2.0	-86.32	325.56	4.18	-82.14
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019872952	1	38	-2.0	-86.31	325.62	4.20	-82.11
O=C(C1=CC=C(Br)C=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019872953	1	36	-2.0	-94.39	318.70	4.12	-90.27
O=C(C1=CC=C(Br)C=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019872953	1	36	-2.0	-94.37	318.77	4.13	-90.24
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019872956	0	42	-2.0	-95.72	353.23	7.07	-88.65
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019872956	1	42	-2.0	-95.74	353.29	7.08	-88.66
O=C(C1=C([O-])C=CC=C1Cl)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019872968	1	36	-2.0	-95.79	316.11	3.77	-92.02
O=C(C1=C([O-])C=CC=C1Cl)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019872968	1	36	-2.0	-95.78	316.17	3.78	-92.00
O=C(C1=CC=CC(Cl)=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873219	0	36	-2.0	-98.16	311.74	4.57	-93.59
O=C(C1=CC=CC(Cl)=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873219	1	36	-2.0	-98.12	311.80	4.58	-93.54
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873270	1	39	-2.0	-92.97	336.09	4.50	-88.47
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873270	1	39	-2.0	-92.99	336.15	4.51	-88.48
O=C(C1=CC=C([O-])C=C1F)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873274	1	36	-2.0	-86.92	304.08	3.24	-83.68
O=C(C1=CC=C([O-])C=C1F)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873274	1	36	-2.0	-86.99	304.14	3.25	-83.74
O=C(C1=CC=C([O-])C(F)=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873456	1	36	-2.0	-88.58	301.25	3.16	-85.42
O=C(C1=CC=C([O-])C(F)=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873456	1	36	-2.0	-88.54	301.31	3.18	-85.36
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873484	0	41	-2.0	-82.42	357.62	1.36	-81.06
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873484	1	41	-2.0	-82.47	357.56	1.35	-81.12
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873485	0	40	-2.0	-90.90	334.96	2.98	-87.92
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873485	1	40	-2.0	-90.89	335.02	3.00	-87.89
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873486	0	36	-2.0	-85.00	317.27	3.72	-81.28
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873486	1	36	-2.0	-85.02	317.33	3.73	-81.29
CC1=CN=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C([O-])=C1	REAL300019873496	1	38	-2.0	-97.52	309.92	4.45	-93.07
CC1=CN=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C([O-])=C1	REAL300019873496	1	38	-2.0	-97.53	309.98	4.46	-93.07
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873508	0	44	-2.0	-82.26	351.69	1.76	-80.50
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873508	1	44	-2.0	-82.28	351.75	1.77	-80.51
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300019873529	0	47	-2.0	-99.77	393.65	1.47	-98.30
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300019873529	1	47	-2.0	-99.77	393.72	1.48	-98.29
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873559	0	38	-2.0	-86.27	321.04	4.90	-81.37
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873559	1	38	-2.0	-86.24	321.10	4.91	-81.33
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873562	0	36	-2.0	-89.35	316.40	3.36	-85.99
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873562	1	36	-2.0	-89.38	316.46	3.37	-86.01
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873569	0	36	-2.0	-85.00	309.27	3.29	-81.71
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873569	1	36	-2.0	-84.98	309.33	3.31	-81.67
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873602	0	38	-2.0	-90.63	325.58	4.16	-86.47
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873602	1	38	-2.0	-90.69	325.64	4.18	-86.51
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873636	0	41	-2.0	-75.80	335.58	2.04	-73.76
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873636	1	41	-2.0	-75.84	335.64	2.05	-73.79
N#CC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C=C1[O-]	REAL300019873729	1	37	-2.0	-88.74	316.94	3.55	-85.19
N#CC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C=C1[O-]	REAL300019873729	1	37	-2.0	-88.78	317.00	3.56	-85.22
O=C(C1=C([O-])C=CC=C1F)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873787	0	36	-2.0	-94.25	306.62	3.39	-90.86
O=C(C1=C([O-])C=CC=C1F)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873787	1	36	-2.0	-94.23	306.68	3.41	-90.82
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873802	1	37	-2.0	-84.12	320.62	2.75	-81.37
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873802	1	37	-2.0	-84.13	320.68	2.76	-81.37
N#CC1=CC([O-])=CC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300019873837	1	37	-2.0	-85.33	317.72	3.49	-81.84
N#CC1=CC([O-])=CC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300019873837	1	37	-2.0	-85.31	317.78	3.51	-81.80
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873866	0	36	-2.0	-85.16	316.38	-0.17	-85.33
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873866	1	36	-2.0	-85.18	316.44	-0.16	-85.34
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873907	1	38	-2.0	-95.72	333.53	6.11	-89.61
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873907	1	38	-2.0	-95.70	333.60	6.13	-89.57
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873927	0	45	-2.0	-93.50	385.54	3.90	-89.60
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873927	1	45	-2.0	-93.52	385.60	3.91	-89.61
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019873927	1	45	-2.0	-90.83	385.38	4.07	-86.76
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019873927	1	45	-2.0	-90.84	385.45	4.08	-86.76
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(CC4=N[N-]N=N4)CC3)=N2)=C1	REAL300019874064	0	46	-2.0	-107.22	379.00	5.63	-101.59
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)=N2)=C1	REAL300019874064	1	46	-2.0	-107.27	379.06	5.65	-101.62
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(CC4=N[N-]N=N4)CC3)=N2)=C1	REAL300019874077	0	52	-2.0	-105.89	414.23	6.88	-99.01
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)=N2)=C1	REAL300019874077	1	52	-2.0	-105.85	414.29	6.90	-98.95
O=C(C(=O)N1CCC(CC2=N[N-]N=N2)CC1)C1=CC=C([O-])C=C1	REAL300019874117	1	38	-2.0	-83.60	322.83	3.12	-80.48
O=C(C(=O)N1CCC(CC2=NN=N[N-]2)CC1)C1=CC=C([O-])C=C1	REAL300019874117	1	38	-2.0	-83.58	322.89	3.14	-80.44
O=C(C1=C(F)C=CC([O-])=C1F)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019874205	1	36	-2.0	-92.28	312.99	3.36	-88.92
O=C(C1=C(F)C=CC([O-])=C1F)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019874205	1	36	-2.0	-92.26	313.05	3.38	-88.88
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019874367	0	38	-2.0	-88.44	329.91	2.52	-85.92
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019874367	1	38	-2.0	-88.46	329.97	2.54	-85.92
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019874412	0	43	-2.0	-103.79	360.43	5.03	-98.76
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019874412	1	43	-2.0	-103.75	360.49	5.05	-98.70
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019874453	1	41	-2.0	-102.81	336.62	5.48	-97.33
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019874453	1	41	-2.0	-102.82	336.68	5.50	-97.32
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019874637	0	43	-2.0	-103.58	370.75	5.49	-98.09
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019874637	1	43	-2.0	-103.58	370.81	5.50	-98.08
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019874638	0	43	-2.0	-104.58	363.70	5.01	-99.57
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019874638	1	43	-2.0	-104.57	363.76	5.02	-99.55
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019874864	0	43	-2.0	-104.51	354.24	4.99	-99.52
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019874864	1	43	-2.0	-104.50	354.30	5.00	-99.50
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300019874970	0	41	-2.0	-99.25	350.02	-1.08	-100.33
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300019874970	1	41	-2.0	-99.27	350.08	-1.07	-100.34
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019875091	0	39	-2.0	-98.91	331.29	5.35	-93.56
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875091	1	39	-2.0	-98.86	331.36	5.36	-93.50
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019875095	0	41	-2.0	-87.57	344.56	2.82	-84.75
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875095	1	41	-2.0	-87.64	344.63	2.84	-84.80
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019875179	0	38	-2.0	-94.82	336.66	6.20	-88.62
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875179	1	38	-2.0	-94.85	336.73	6.22	-88.63
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019876211	0	36	-2.0	-93.12	324.91	4.19	-88.93
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876211	1	36	-2.0	-93.11	324.97	4.21	-88.90
O=C(C1=CC=C([O-])C(F)=C1F)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019876220	0	36	-2.0	-86.99	306.46	3.23	-83.76
O=C(C1=CC=C([O-])C(F)=C1F)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876220	1	36	-2.0	-86.99	306.52	3.25	-83.74
CSC1=NC=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019876222	1	38	-2.0	-93.15	328.24	1.40	-91.75
CSC1=NC=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019876222	1	38	-2.0	-93.09	328.30	1.42	-91.67
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)[N-]C(=O)C(C#N)=C1	REAL300019876228	0	39	-2.0	-86.31	335.17	1.98	-84.33
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)[N-]C(=O)C(C#N)=C1	REAL300019876228	1	39	-2.0	-86.29	335.23	2.00	-84.29
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)C([O-])=C2)O1	REAL300019876251	0	45	-2.0	-104.83	381.03	5.68	-99.15
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(CC4=N[N-]N=N4)CC3)C([O-])=C2)O1	REAL300019876251	1	45	-2.0	-104.86	380.97	5.66	-99.20
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C(=S)[N-]C(=O)N1	REAL300019876350	1	38	-2.0	-101.63	330.60	1.03	-100.60
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C(=S)[N-]C(=O)N1	REAL300019876350	1	38	-2.0	-101.62	330.67	1.05	-100.57
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019876352	0	34	-2.0	-82.20	303.35	2.16	-80.04
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876352	1	34	-2.0	-82.21	303.41	2.17	-80.04
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019876505	0	35	-2.0	-92.76	309.78	4.41	-88.35
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876505	1	35	-2.0	-92.79	309.84	4.42	-88.37
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(CC4=N[N-]N=N4)CC3)=C2)O1	REAL300019876674	1	45	-2.0	-106.69	381.08	5.69	-101.00
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)=C2)O1	REAL300019876674	1	45	-2.0	-106.66	381.14	5.70	-100.96
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019876709	0	40	-2.0	-83.91	359.02	3.54	-80.37
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876709	1	40	-2.0	-83.92	359.08	3.56	-80.36
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019876729	0	36	-2.0	-89.44	330.15	4.56	-84.88
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876729	1	36	-2.0	-89.46	330.21	4.57	-84.89
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300019876738	1	41	-2.0	-91.62	340.89	3.97	-87.65
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300019876738	1	41	-2.0	-91.63	340.95	3.98	-87.65
CC(C)CN1[N-]C(CC(=O)N2CCC(CC3=N[N-]N=N3)CC2)=CC1=O	REAL300019876851	0	48	-2.0	-92.57	384.45	4.81	-87.76
CC(C)CN1[N-]C(CC(=O)N2CCC(CC3=NN=N[N-]3)CC2)=CC1=O	REAL300019876851	1	48	-2.0	-92.54	384.52	4.82	-87.72
COC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019876921	0	42	-2.0	-91.19	351.99	4.75	-86.44
COC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019876921	1	42	-2.0	-91.21	352.05	4.77	-86.44
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019876922	0	36	-2.0	-99.17	316.07	4.88	-94.29
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876922	1	36	-2.0	-99.18	316.13	4.90	-94.28
O=C(C1=CC=C(F)C([O-])=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019876964	1	36	-2.0	-92.86	301.29	3.13	-89.73
O=C(C1=CC=C(F)C([O-])=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876964	1	36	-2.0	-92.85	301.35	3.14	-89.71
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019876968	0	36	-2.0	-89.11	311.09	3.61	-85.50
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876968	1	36	-2.0	-89.15	311.15	3.62	-85.53
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(CC4=N[N-]N=N4)CC3)O2)[N-]1	REAL300019877091	1	42	-2.0	-86.49	354.69	3.70	-82.79
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)O2)[N-]1	REAL300019877091	1	42	-2.0	-86.49	354.75	3.71	-82.78
O=C(C1=CC=CC(F)=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019877121	0	36	-2.0	-103.34	302.07	4.04	-99.30
O=C(C1=CC=CC(F)=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019877121	1	36	-2.0	-103.27	302.13	4.05	-99.22
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCC(CC2=N[N-]N=N2)CC1	REAL300019877148	0	36	-2.0	-92.26	310.03	3.64	-88.62
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCC(CC2=NN=N[N-]2)CC1	REAL300019877148	1	36	-2.0	-92.25	310.09	3.65	-88.60
COCC1=NC=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019877404	1	41	-2.0	-91.91	336.07	0.12	-91.79
COCC1=NC=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019877404	1	41	-2.0	-91.90	336.13	0.13	-91.77
CC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019877540	0	41	-2.0	-87.15	342.84	5.65	-81.50
CC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019877540	1	41	-2.0	-87.17	342.90	5.67	-81.50
O=C(C1=CC=C(F)C([O-])=C1F)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019877545	0	36	-2.0	-95.15	309.01	3.25	-91.90
O=C(C1=CC=C(F)C([O-])=C1F)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019877545	1	36	-2.0	-95.18	309.08	3.27	-91.91
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019877558	0	39	-2.0	-86.35	331.23	4.37	-81.98
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019877558	1	39	-2.0	-86.35	331.29	4.38	-81.97
N#CC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019877734	0	36	-2.0	-86.17	310.43	1.42	-84.75
N#CC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019877734	1	36	-2.0	-86.14	310.49	1.43	-84.71
CN1C(=S)[N-]N=C1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019878115	1	35	-2.0	-86.09	299.96	4.25	-81.84
CN1C(=S)[N-]N=C1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019878115	1	35	-2.0	-86.10	300.03	4.26	-81.84
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019878139	0	44	-2.0	-104.70	355.45	-0.84	-105.54
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019878139	1	44	-2.0	-104.70	355.51	-0.82	-105.52
CC1=CC=C(F)C(NC(=S)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019879233	0	37	-2.0	-83.35	351.89	3.94	-79.41
CC1=CC=C(F)C(NC(=S)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019879233	1	37	-2.0	-83.31	351.96	3.95	-79.36
CC(C)OC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019879236	0	44	-2.0	-80.38	393.33	4.01	-76.37
CC(C)OC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019879236	1	44	-2.0	-80.36	393.39	4.01	-76.35
C#CC1=CC=CC(NC(=S)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019879238	0	36	-2.0	-81.53	351.54	4.36	-77.17
C#CC1=CC=CC(NC(=S)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019879238	1	36	-2.0	-81.56	351.61	4.37	-77.19
CN(C)C1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019879240	0	42	-2.0	-82.53	374.75	3.51	-79.02
CN(C)C1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019879240	1	42	-2.0	-82.53	374.82	3.52	-79.01
COC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300019879242	0	37	-2.0	-79.38	351.30	-0.19	-79.57
COC1=CC=C(NC(=S)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300019879242	1	37	-2.0	-79.33	351.38	-0.19	-79.52
O=C([N-]NC(=S)NC1=CC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019879244	0	33	-2.0	-84.35	319.42	3.36	-80.99
O=C([N-]NC(=S)NC1=CC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019879244	1	33	-2.0	-84.28	319.49	3.36	-80.92
CC(C)C1=NSC([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019879430	0	32	-2.0	-82.68	304.80	1.45	-81.23
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NC2=CC=CC=C2S1	REAL300019879433	0	34	-2.0	-104.50	325.49	0.92	-103.58
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NC2=CC=CC=C2S1	REAL300019879433	1	34	-2.0	-104.45	325.55	0.93	-103.52
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NC2=CC=CC=C2S1	REAL300019879434	0	37	-2.0	-115.63	349.84	3.79	-111.84
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NC2=CC=CC=C2S1	REAL300019879434	1	37	-2.0	-115.37	350.31	3.78	-111.59
O=C([N-]NC(=O)C1=NC2=CC=CC=C2S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019879435	0	34	-2.0	-98.10	336.38	0.69	-97.41
O=C([N-]NC(=O)C1=NC2=CC=CC=C2S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019879435	1	34	-2.0	-98.07	336.44	0.69	-97.38
CC1=CC(=O)N(C2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)[N-]1	REAL300019879693	1	39	-2.0	-107.48	337.63	3.70	-103.78
CC1=CC(=O)N(C2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)[N-]1	REAL300019879693	1	39	-2.0	-107.49	337.69	3.72	-103.77
CC1=CC(=O)N(C2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)[N-]1	REAL300019879694	1	39	-2.0	-87.68	347.99	3.51	-84.17
CC1=CC(=O)N(C2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)[N-]1	REAL300019879694	1	39	-2.0	-87.73	347.92	3.51	-84.22
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300019879725	0	33	-2.0	-109.40	307.87	0.27	-109.13
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300019879725	1	33	-2.0	-109.38	307.93	0.28	-109.10
O=C([N-]NC(=O)C1=C2N=CNC2=NC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019879726	0	33	-2.0	-104.69	318.52	0.06	-104.63
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=C2N=CNC2=NC=N1	REAL300019879726	1	33	-2.0	-100.98	318.46	0.06	-100.92
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NSN=C1	REAL300019879770	0	30	-2.0	-104.72	295.44	0.27	-104.45
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NSN=C1	REAL300019879770	1	30	-2.0	-104.37	295.91	0.25	-104.12
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NSN=C1	REAL300019879771	0	27	-2.0	-85.01	281.76	-2.82	-87.83
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NSN=C1	REAL300019879771	1	27	-2.0	-85.06	281.69	-2.84	-87.90
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019880241	0	43	-2.0	-112.82	359.56	2.12	-110.70
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019880241	1	43	-2.0	-112.84	359.62	2.12	-110.72
CCOC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC(Cl)=C1[O-]	REAL300019880306	1	43	-2.0	-97.65	364.52	4.74	-92.91
CCOC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC(Cl)=C1[O-]	REAL300019880306	1	43	-2.0	-97.69	364.58	4.74	-92.95
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019880601	0	43	-2.0	-104.74	365.87	2.17	-102.57
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019880601	1	43	-2.0	-104.70	365.94	2.17	-102.53
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019881137	0	46	-2.0	-113.40	380.87	2.75	-110.65
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019881137	1	46	-2.0	-113.44	380.93	2.76	-110.68
CSC1=NC(C)=C(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019881158	1	47	-2.0	-106.92	392.05	3.65	-103.27
CSC1=NC(C)=C(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300019881158	1	47	-2.0	-106.93	392.11	3.66	-103.27
CN1C(=O)C2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300019881272	0	44	-2.0	-97.73	369.39	5.35	-92.38
CN1C(=O)C2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300019881272	1	44	-2.0	-97.68	369.45	5.36	-92.32
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019881296	1	42	-2.0	-115.48	372.31	6.89	-108.59
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019881296	1	42	-2.0	-115.52	372.37	6.89	-108.63
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019881347	1	48	-2.0	-118.61	401.10	8.37	-110.24
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019881347	1	48	-2.0	-118.67	401.16	8.38	-110.29
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019881348	0	44	-2.0	-115.64	374.29	6.31	-109.33
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019881348	1	44	-2.0	-115.61	374.35	6.32	-109.29
CCN1C(=O)C2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300019881374	0	47	-2.0	-98.34	390.53	6.41	-91.93
CCN1C(=O)C2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300019881374	1	47	-2.0	-98.37	390.58	6.41	-91.96
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019881389	0	47	-2.0	-102.90	394.86	6.79	-96.11
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019881389	1	47	-2.0	-102.93	394.92	6.80	-96.13
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019881421	1	48	-2.0	-125.16	401.09	8.35	-116.81
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019881421	1	48	-2.0	-125.17	401.16	8.36	-116.81
O=C(C1=CC(Br)=CC=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019881460	1	36	-2.0	-117.16	318.16	4.07	-113.09
O=C(C1=CC(Br)=CC=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019881460	1	36	-2.0	-117.14	318.22	4.08	-113.06
O=C(C1=CC(Cl)=CC=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019881461	1	36	-2.0	-117.17	313.59	3.96	-113.21
O=C(C1=CC(Cl)=CC=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019881461	1	36	-2.0	-117.18	313.66	3.96	-113.22
O=C(C1=CC=C(Cl)C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019881470	1	36	-2.0	-119.73	313.61	3.97	-115.76
O=C(C1=CC=C(Cl)C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019881470	1	36	-2.0	-119.72	313.67	3.97	-115.75
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019881471	0	36	-2.0	-102.90	311.24	3.66	-99.24
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019881471	1	36	-2.0	-102.89	311.29	3.68	-99.21
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019881477	1	42	-2.0	-129.19	339.34	6.64	-122.55
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019881477	1	42	-2.0	-129.22	339.40	6.65	-122.57
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019881480	0	38	-2.0	-91.55	323.37	4.92	-86.63
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019881480	1	38	-2.0	-91.55	323.44	4.93	-86.62
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019881676	0	43	-2.0	-96.84	354.70	0.43	-96.41
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019881676	1	43	-2.0	-96.85	354.75	0.43	-96.42
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019881992	0	49	-2.0	-115.19	402.52	3.80	-111.39
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019881992	1	49	-2.0	-115.15	402.58	3.81	-111.34
NC1=NC([O-])=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)S1	REAL300019882214	0	37	-2.0	-119.21	321.24	-1.04	-120.25
NC1=NC([O-])=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)S1	REAL300019882214	1	37	-2.0	-119.20	321.30	-1.03	-120.23
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882329	0	46	-2.0	-114.55	381.02	3.02	-111.53
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882329	1	46	-2.0	-114.57	381.09	3.02	-111.55
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882392	1	41	-2.0	-104.16	341.58	2.13	-102.03
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882392	1	41	-2.0	-104.21	341.64	2.13	-102.08
CC1=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019882418	0	48	-2.0	-132.59	398.11	2.85	-129.74
CC1=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019882418	1	48	-2.0	-132.64	398.17	2.85	-129.79
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882563	1	47	-2.0	-119.52	377.47	3.43	-116.09
O=C(CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1)[N-]C1=NN=C(C2CC2)O1	REAL300019882584	0	47	-2.0	-104.04	391.09	-0.83	-104.87
O=C(CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1)[N-]C1=NN=C(C2CC2)O1	REAL300019882584	1	47	-2.0	-104.05	391.16	-0.82	-104.87
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882729	0	40	-2.0	-108.81	339.14	2.37	-106.44
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882729	1	40	-2.0	-108.85	339.20	2.37	-106.48
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882904	1	45	-2.0	-119.27	373.09	2.51	-116.76
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882904	1	45	-2.0	-119.30	373.15	2.51	-116.79
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1	REAL300019883075	1	44	-2.0	-96.58	385.08	-3.73	-100.31
CC1=CC=C(N2[N-]C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CC2=O)C=C1	REAL300019883085	0	46	-2.0	-104.01	374.73	6.13	-97.88
CC1=CC=C(N2[N-]C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CC2=O)C=C1	REAL300019883085	1	46	-2.0	-103.98	374.80	6.13	-97.85
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883112	0	38	-2.0	-98.07	330.19	2.50	-95.57
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883112	1	38	-2.0	-98.11	330.26	2.50	-95.61
CCN1[N-]C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC1=O	REAL300019883126	0	39	-2.0	-100.68	321.17	2.80	-97.88
CCN1[N-]C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC1=O	REAL300019883126	1	39	-2.0	-100.72	321.24	2.80	-97.92
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019883226	0	44	-2.0	-118.60	370.05	2.66	-115.94
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019883226	1	44	-2.0	-118.57	370.00	2.66	-115.91
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=N2)C=C1	REAL300019883230	0	47	-2.0	-127.17	384.24	4.27	-122.90
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=N2)C=C1	REAL300019883230	1	47	-2.0	-127.20	384.29	4.28	-122.92
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883231	0	43	-2.0	-123.54	361.17	5.04	-118.50
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883231	1	43	-2.0	-123.56	361.22	5.04	-118.52
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CC2=O)=N1	REAL300019883232	0	47	-2.0	-111.07	390.24	6.53	-104.54
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CC2=O)=N1	REAL300019883232	1	47	-2.0	-111.04	390.31	6.53	-104.51
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883233	0	43	-2.0	-130.75	358.03	5.08	-125.67
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883233	1	43	-2.0	-130.75	358.09	5.09	-125.66
O=C(CSC1=N[N-]C(=S)S1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883328	0	35	-2.0	-89.05	335.47	3.46	-85.59
O=C(CSC1=N[N-]C(=S)S1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883328	1	35	-2.0	-89.06	335.53	3.46	-85.60
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL300019883362	0	46	-2.0	-123.13	387.21	5.40	-117.73
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019883362	1	46	-2.0	-123.18	387.27	5.41	-117.77
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=N2)C=C1	REAL300019883482	0	52	-2.0	-127.43	414.95	6.89	-120.54
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=N2)C=C1	REAL300019883482	1	52	-2.0	-127.43	415.01	6.89	-120.54
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883562	0	38	-2.0	-89.17	325.57	3.79	-85.38
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883562	1	38	-2.0	-89.22	325.64	3.79	-85.43
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)S1	REAL300019883611	0	49	-2.0	-101.78	411.49	3.63	-98.15
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)S1	REAL300019883611	1	49	-2.0	-101.79	411.56	3.64	-98.15
O=C(C1=NNC(=O)[N-]C1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883655	0	34	-2.0	-104.24	288.61	-2.02	-106.26
O=C(C1=NNC(=O)[N-]C1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883655	1	34	-2.0	-104.26	288.68	-2.02	-106.28
O=C(C1=CC=CC(Br)=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883670	0	36	-2.0	-120.17	314.80	4.95	-115.22
O=C(C1=CC=CC(Br)=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883670	1	36	-2.0	-120.19	314.87	4.95	-115.24
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883684	0	38	-2.0	-126.81	322.25	5.54	-121.27
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883684	1	38	-2.0	-126.86	322.31	5.54	-121.32
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883754	0	38	-2.0	-106.67	325.03	4.12	-102.55
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883754	1	38	-2.0	-106.65	325.09	4.12	-102.53
O=C(C1=CC=C(Br)C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883755	1	36	-2.0	-119.69	318.17	4.07	-115.62
O=C(C1=CC=C(Br)C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883755	1	36	-2.0	-119.72	318.23	4.07	-115.65
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883758	0	42	-2.0	-113.24	357.23	6.35	-106.89
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883758	1	42	-2.0	-113.23	357.30	6.36	-106.87
O=C(C1=C([O-])C=CC=C1Cl)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883770	1	36	-2.0	-110.04	316.60	3.76	-106.28
O=C(C1=C([O-])C=CC=C1Cl)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883770	1	36	-2.0	-110.07	316.68	3.78	-106.29
O=C(C1=CC=CC(Cl)=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884021	0	36	-2.0	-121.49	310.42	4.84	-116.65
O=C(C1=CC=CC(Cl)=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884021	1	36	-2.0	-121.47	310.48	4.84	-116.63
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884072	1	39	-2.0	-117.99	335.56	4.45	-113.54
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884072	1	39	-2.0	-118.02	335.62	4.45	-113.57
O=C(C1=CC=C([O-])C=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884076	1	36	-2.0	-99.64	303.53	3.19	-96.45
O=C(C1=CC=C([O-])C=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884076	1	36	-2.0	-99.63	303.60	3.20	-96.43
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885214	0	43	-2.0	-125.75	361.05	5.03	-120.72
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885214	1	43	-2.0	-125.74	361.12	5.04	-120.70
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885255	1	41	-2.0	-129.55	336.92	5.58	-123.97
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885255	1	41	-2.0	-129.58	336.97	5.59	-123.99
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885439	0	43	-2.0	-125.40	371.37	5.48	-119.92
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885439	1	43	-2.0	-125.40	371.43	5.49	-119.91
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885440	0	43	-2.0	-126.98	364.48	5.01	-121.97
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885440	1	43	-2.0	-126.95	364.55	5.02	-121.93
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885666	0	43	-2.0	-128.61	354.73	4.96	-123.65
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885666	1	43	-2.0	-128.59	354.79	4.96	-123.63
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019885772	0	41	-2.0	-120.06	351.00	-1.60	-121.66
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019885772	1	41	-2.0	-120.05	351.07	-1.59	-121.64
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885893	0	39	-2.0	-120.66	333.93	5.02	-115.64
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885893	1	39	-2.0	-120.69	333.99	5.02	-115.67
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885897	0	41	-2.0	-95.44	344.85	2.81	-92.63
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885897	1	41	-2.0	-95.50	344.92	2.81	-92.69
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885981	0	38	-2.0	-116.65	339.68	5.71	-110.94
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885981	1	38	-2.0	-116.69	339.75	5.71	-110.98
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886013	1	41	-2.0	-135.23	337.73	4.02	-131.21
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886013	1	41	-2.0	-135.22	337.79	4.02	-131.20
O=C(CCCC1=N[N-]N=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886038	0	39	-2.0	-92.30	321.64	2.39	-89.91
O=C(CCCC1=N[N-]N=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886038	1	39	-2.0	-92.27	321.58	2.37	-89.90
O=C(CCCC1=NN=N[N-]1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886038	1	39	-2.0	-92.27	321.70	2.40	-89.87
O=C(CCCC1=NN=N[N-]1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886038	1	39	-2.0	-92.28	321.64	2.39	-89.89
O=C(C1=NC=C(Br)C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887307	0	35	-2.0	-102.78	312.89	3.78	-99.00
O=C(C1=NC=C(Br)C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887307	1	35	-2.0	-102.80	312.96	3.79	-99.01
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=C2)O1	REAL300019887476	1	45	-2.0	-120.34	377.62	5.87	-114.47
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=C2)O1	REAL300019887476	1	45	-2.0	-120.33	377.68	5.87	-114.46
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887511	0	40	-2.0	-96.40	364.77	3.71	-92.69
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887511	1	40	-2.0	-96.41	364.84	3.72	-92.69
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887531	0	36	-2.0	-112.82	329.71	4.49	-108.33
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887531	1	36	-2.0	-112.86	329.77	4.49	-108.37
CC1=CC(C=O)=C([O-])C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019887540	1	41	-2.0	-115.87	340.42	3.94	-111.93
CC1=CC(C=O)=C([O-])C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019887540	1	41	-2.0	-115.89	340.48	3.94	-111.95
CC(C)CN1[N-]C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC1=O	REAL300019887653	0	48	-2.0	-113.84	382.58	4.48	-109.36
CC(C)CN1[N-]C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC1=O	REAL300019887653	1	48	-2.0	-113.86	382.63	4.50	-109.36
COC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019887723	0	42	-2.0	-94.64	352.62	4.76	-89.88
COC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019887723	1	42	-2.0	-94.63	352.68	4.76	-89.87
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887724	0	36	-2.0	-121.39	319.26	3.97	-117.42
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887724	1	36	-2.0	-121.39	319.33	3.98	-117.41
O=C(C1=CC=C(F)C([O-])=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887766	1	36	-2.0	-95.45	303.63	3.16	-92.29
O=C(C1=CC=C(F)C([O-])=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887766	1	36	-2.0	-95.48	303.70	3.17	-92.31
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887770	0	36	-2.0	-92.88	313.41	3.65	-89.23
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887770	1	36	-2.0	-92.88	313.48	3.66	-89.22
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)O2)[N-]1	REAL300019887893	1	42	-2.0	-92.66	355.54	3.80	-88.86
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)O2)[N-]1	REAL300019887893	1	42	-2.0	-92.65	355.60	3.81	-88.84
O=C(C1=CC=CC(F)=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887923	0	36	-2.0	-127.53	300.61	4.36	-123.17
O=C(C1=CC=CC(F)=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887923	1	36	-2.0	-127.55	300.67	4.37	-123.18
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887950	0	36	-2.0	-116.10	309.59	3.57	-112.53
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887950	1	36	-2.0	-116.11	309.65	3.57	-112.54
COCC1=NC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019888206	1	41	-2.0	-108.28	338.57	0.14	-108.14
COCC1=NC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300019888206	1	41	-2.0	-108.32	338.63	0.15	-108.17
CC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019888342	0	41	-2.0	-100.04	343.47	5.66	-94.38
CC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019888342	1	41	-2.0	-100.04	343.54	5.66	-94.38
O=C(C1=CC=C(F)C([O-])=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019888347	0	36	-2.0	-111.64	308.93	3.24	-108.40
O=C(C1=CC=C(F)C([O-])=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888347	1	36	-2.0	-111.63	308.98	3.25	-108.38
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019888360	0	39	-2.0	-93.37	332.72	4.33	-89.04
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888360	1	39	-2.0	-93.38	332.79	4.33	-89.05
N#CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019888536	0	36	-2.0	-100.42	310.53	1.40	-99.02
N#CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300019888536	1	36	-2.0	-100.39	310.59	1.41	-98.98
CN1C(=S)[N-]N=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019888917	1	35	-2.0	-89.47	300.45	4.26	-85.21
CN1C(=S)[N-]N=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888917	1	35	-2.0	-89.49	300.51	4.26	-85.23
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019888941	0	44	-2.0	-104.13	354.18	-0.70	-104.83
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888941	1	44	-2.0	-104.14	354.24	-0.68	-104.82
CC(C)(C)OC(=O)N1CCC1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019890521	0	46	-2.0	-106.02	396.12	1.25	-104.77
CC(C)(C)OC(=O)N1CCC1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019890521	1	46	-2.0	-105.97	396.18	1.25	-104.72
O=C([N-]NC(=O)C1CCN1C1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019890584	0	45	-2.0	-97.65	381.17	-2.13	-99.78
O=C([N-]NC(=O)C1CCN1C1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019890584	1	45	-2.0	-97.65	381.24	-2.12	-99.77
CC(=O)C1=CC(F)=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019890591	0	34	-2.0	-96.04	307.16	1.90	-94.14
CC(=O)C1=CC(F)=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019890591	1	34	-2.0	-95.99	307.22	1.92	-94.07
CC(=O)C1=CC(F)=C([O-])C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019890592	0	37	-2.0	-105.89	332.18	4.90	-100.99
CC(=O)C1=CC(F)=C([O-])C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019890592	1	37	-2.0	-105.76	332.28	4.92	-100.84
CC(=O)C1=CC(F)=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019890593	0	34	-2.0	-87.91	319.26	1.76	-86.15
CC(=O)C1=CC(F)=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019890593	1	34	-2.0	-87.88	319.32	1.78	-86.10
COC1=CN=C(C(C)(C)NC(=O)CCCC2=N[N-]N=N2)[N-]C1=O	REAL300019890828	1	40	-2.0	-89.02	336.96	-0.16	-89.18
COC1=CN=C(C(C)(C)NC(=O)CCCC2=NN=N[N-]2)[N-]C1=O	REAL300019890828	1	40	-2.0	-89.03	337.02	-0.14	-89.17
COC1=CN=C(C(C)(C)NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[N-]C1=O	REAL300019890829	1	43	-2.0	-94.68	361.26	2.76	-91.92
COC1=CN=C(C(C)(C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[N-]C1=O	REAL300019890830	1	40	-2.0	-85.23	347.54	-0.37	-85.60
COC1=CN=C(C(C)(C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N-]C1=O	REAL300019890830	1	40	-2.0	-85.18	347.61	-0.37	-85.55
O=C(CCCC1=N[N-]N=N1)NCCC1=C(F)C=C([O-])C=C1F	REAL300019890928	1	35	-2.0	-91.07	318.65	2.21	-88.86
O=C(CCCC1=NN=N[N-]1)NCCC1=C(F)C=C([O-])C=C1F	REAL300019890928	1	35	-2.0	-91.06	318.71	2.22	-88.84
O=C(NCCC1=C(F)C=C([O-])C=C1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019890929	1	38	-2.0	-98.67	343.40	5.10	-93.57
O=C(NCCC1=C(F)C=C([O-])C=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019890930	1	35	-2.0	-77.15	329.24	2.01	-75.14
O=C(NCCC1=C(F)C=C([O-])C=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019890930	1	35	-2.0	-77.12	329.31	2.02	-75.10
CC1=C([O-])N=C(CCN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)NC1=O	REAL300019890989	0	40	-2.0	-86.78	351.30	0.62	-86.16
CC1=C([O-])N=C(CCN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)NC1=O	REAL300019890989	1	40	-2.0	-86.75	351.36	0.63	-86.12
O=C(NC1=NC=C(Cl)C=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019891138	0	28	-2.0	-80.80	282.91	1.37	-79.43
O=C(NC1=NC=C(Cl)C=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019891138	1	28	-2.0	-80.77	282.98	1.36	-79.41
CN1N=NC([N-]S(=O)(=O)C2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)=N1	REAL300019891181	0	41	-2.0	-120.89	378.36	1.40	-119.49
CN1N=NC([N-]S(=O)(=O)C2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)=N1	REAL300019891181	1	41	-2.0	-120.89	378.31	1.39	-119.50
COC1=CN=C(C2(NC(=O)CCCC3=N[N-]N=N3)CCCC2)[N-]C1=O	REAL300019891216	1	44	-2.0	-106.53	361.27	0.80	-105.73
COC1=CN=C(C2(NC(=O)CCCC3=NN=N[N-]3)CCCC2)[N-]C1=O	REAL300019891216	1	44	-2.0	-106.53	361.32	0.82	-105.71
COC1=CN=C(C2(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CCCC2)[N-]C1=O	REAL300019891217	1	47	-2.0	-135.56	380.81	5.31	-130.25
COC1=CN=C(C2(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCCC2)[N-]C1=O	REAL300019891218	1	44	-2.0	-92.56	373.46	0.51	-92.05
COC1=CN=C(C2(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCCC2)[N-]C1=O	REAL300019891218	1	44	-2.0	-92.56	373.53	0.53	-92.03
COC1=CN=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[N-]C1=O	REAL300019891433	1	37	-2.0	-98.93	327.21	1.89	-97.04
COC1=CN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[N-]C1=O	REAL300019891434	1	34	-2.0	-81.89	313.48	-1.24	-83.13
COC1=CN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N-]C1=O	REAL300019891434	1	34	-2.0	-81.93	313.55	-1.24	-83.17
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CN2CCCCC2=N1	REAL300019891566	0	39	-2.0	-111.50	337.34	1.58	-109.92
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CN2CCCCC2=N1	REAL300019891566	1	39	-2.0	-111.52	337.40	1.59	-109.93
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CN2CCCCC2=N1	REAL300019891567	0	42	-2.0	-123.45	361.68	4.46	-118.99
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CN2CCCCC2=N1	REAL300019891567	1	42	-2.0	-123.17	362.16	4.45	-118.72
O=C([N-]NC(=O)C1=CN2CCCCC2=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019891568	0	39	-2.0	-104.27	348.30	1.33	-102.94
O=C([N-]NC(=O)C1=CN2CCCCC2=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019891568	1	39	-2.0	-104.24	348.37	1.34	-102.90
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NOC=N1	REAL300019891569	0	30	-2.0	-114.05	287.76	-0.92	-114.97
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NOC=N1	REAL300019891569	1	30	-2.0	-113.71	288.24	-0.94	-114.65
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NOC=N1	REAL300019891570	0	27	-2.0	-94.73	274.08	-4.00	-98.73
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NOC=N1	REAL300019891570	1	27	-2.0	-94.72	274.01	-4.02	-98.74
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NOC=C1	REAL300019891571	0	31	-2.0	-114.21	292.99	1.57	-112.64
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NOC=C1	REAL300019891571	1	31	-2.0	-113.88	293.46	1.56	-112.32
O=C([N-]NC(=O)C1=NOC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019891572	0	28	-2.0	-97.10	279.68	-1.58	-98.68
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NOC=C1	REAL300019891572	1	28	-2.0	-93.70	279.30	-1.51	-95.21
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NOC=C1	REAL300019891572	1	28	-2.0	-93.71	279.23	-1.52	-95.23
CN1C=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CC1=O	REAL300019891592	0	35	-2.0	-91.01	325.43	-0.03	-91.04
CN1C=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CC1=O	REAL300019891592	1	35	-2.0	-91.04	325.50	-0.03	-91.07
O=C(NC1=CC(F)=C([O-])C=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019891615	1	29	-2.0	-79.31	292.22	1.76	-77.55
O=C(NC1=CC(F)=C([O-])C=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019891615	1	29	-2.0	-79.34	292.29	1.77	-77.57
O=C([N-]NC(=O)[C@@H]1CCO[C@H]1C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019891802	0	43	-2.0	-93.71	378.88	2.06	-91.65
O=C([N-]NC(=O)[C@@H]1CCO[C@H]1C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019891802	1	43	-2.0	-93.71	378.95	2.06	-91.65
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019891805	0	45	-2.0	-91.92	373.80	0.82	-91.10
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019891805	1	45	-2.0	-91.90	373.86	0.83	-91.07
CN1C=C(C2=NSC([N-]C(=O)CCCC3=NN=N[N-]3)=N2)C=N1	REAL300019892030	0	33	-2.0	-92.44	314.01	1.48	-90.96
CN1C=C(C2=NSC([N-]C(=O)CCCC3=N[N-]N=N3)=N2)C=N1	REAL300019892030	1	33	-2.0	-92.41	313.95	1.46	-90.95
CN1C=C(C2=NSC([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=N2)C=N1	REAL300019892032	0	33	-2.0	-86.06	325.39	1.18	-84.88
CN1C=C(C2=NSC([N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=N2)C=N1	REAL300019892032	1	33	-2.0	-86.02	325.46	1.18	-84.84
CCOC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300019892247	1	37	-2.0	-89.39	352.72	5.52	-83.87
CCOC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300019892247	1	37	-2.0	-89.32	352.76	5.52	-83.80
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019892975	1	36	-2.0	-99.66	328.53	7.66	-92.00
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019892975	1	36	-2.0	-100.38	329.54	7.70	-92.68
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(Br)=CC=C1[O-]	REAL300019892977	1	30	-2.0	-92.11	304.78	6.05	-86.06
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(Br)=CC=C1[O-]	REAL300019892977	1	30	-2.0	-92.08	304.82	6.04	-86.04
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1[O-]	REAL300019892978	0	30	-2.0	-92.33	300.22	5.94	-86.39
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1[O-]	REAL300019892978	1	30	-2.0	-92.27	300.26	5.94	-86.33
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1[O-]	REAL300019892986	0	30	-2.0	-90.71	299.22	5.91	-84.80
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1[O-]	REAL300019892986	1	30	-2.0	-90.62	299.26	5.91	-84.71
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C([O-])C(Cl)=C1	REAL300019892987	0	30	-2.0	-84.05	300.65	4.47	-79.58
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C([O-])C(Cl)=C1	REAL300019892987	1	30	-2.0	-83.99	300.69	4.48	-79.51
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019892992	1	36	-2.0	-101.37	328.42	7.75	-93.62
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019892992	1	36	-2.0	-101.26	328.47	7.76	-93.50
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019892994	0	32	-2.0	-92.83	310.65	5.69	-87.14
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019892994	1	32	-2.0	-93.60	311.66	5.70	-87.90
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)O1	REAL300019893074	1	34	-2.0	-93.97	338.46	-0.23	-94.20
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019893074	1	34	-2.0	-93.93	338.51	-0.23	-94.16
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019893118	0	37	-2.0	-83.71	342.60	1.22	-82.49
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019893118	1	37	-2.0	-84.35	343.57	1.24	-83.11
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(=O)N[N-]1	REAL300019893202	0	27	-2.0	-86.85	268.66	0.39	-86.46
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(=O)N[N-]1	REAL300019893202	1	27	-2.0	-86.80	268.70	0.39	-86.41
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019893297	1	29	-2.0	-88.07	293.46	4.95	-83.12
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019893297	1	29	-2.0	-88.03	293.50	4.95	-83.08
NC1=NC([O-])=C(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)S1	REAL300019893480	0	31	-2.0	-103.96	308.99	-0.59	-104.55
NC1=NC([O-])=C(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)S1	REAL300019893480	1	31	-2.0	-103.89	309.04	-0.59	-104.48
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019893600	1	35	-2.0	-92.60	329.32	2.57	-90.03
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893600	1	35	-2.0	-92.58	329.36	2.57	-90.01
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019893698	1	41	-2.0	-91.25	365.22	3.85	-87.40
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893698	1	41	-2.0	-91.18	365.26	3.85	-87.33
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(=O)N[N-]1	REAL300019893797	0	27	-2.0	-86.85	268.66	0.39	-86.46
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(=O)N[N-]1	REAL300019893797	1	27	-2.0	-86.80	268.70	0.39	-86.41
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019893908	1	39	-2.0	-94.75	360.83	2.94	-91.81
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893908	1	39	-2.0	-94.75	360.87	2.94	-91.81
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)=CC2=O)C=C1	REAL300019894024	0	40	-2.0	-95.48	366.45	6.33	-89.15
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CC2=O)C=C1	REAL300019894024	1	40	-2.0	-95.48	366.50	6.33	-89.15
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019894041	0	32	-2.0	-78.47	317.67	3.29	-75.18
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019894041	1	32	-2.0	-79.07	318.68	3.29	-75.78
CCN1[N-]C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC1=O	REAL300019894050	0	33	-2.0	-90.46	313.20	3.03	-87.43
CCN1[N-]C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC1=O	REAL300019894050	1	33	-2.0	-90.42	313.24	3.03	-87.39
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019894113	1	38	-2.0	-105.25	347.38	3.63	-101.62
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019894113	1	38	-2.0	-105.32	347.34	3.62	-101.70
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019894115	0	37	-2.0	-102.68	352.83	5.26	-97.42
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019894115	1	37	-2.0	-101.82	351.84	5.24	-96.58
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019894116	0	37	-2.0	-114.59	350.93	5.35	-109.24
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019894116	1	37	-2.0	-114.46	350.97	5.36	-109.10
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019894176	0	29	-2.0	-78.40	323.21	3.85	-74.55
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019894176	1	29	-2.0	-78.34	323.25	3.85	-74.49
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019894337	0	32	-2.0	-86.30	313.89	4.56	-81.74
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019894337	1	32	-2.0	-86.32	313.93	4.57	-81.75
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NNC(=O)[N-]C1=O	REAL300019894408	0	28	-2.0	-85.18	280.22	-1.78	-86.96
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NNC(=O)[N-]C1=O	REAL300019894408	1	28	-2.0	-85.11	280.27	-1.76	-86.87
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(Br)=C1[O-]	REAL300019894421	0	30	-2.0	-91.36	302.92	6.03	-85.33
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(Br)=C1[O-]	REAL300019894421	1	30	-2.0	-91.30	302.97	6.04	-85.26
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019894434	0	32	-2.0	-93.41	309.50	6.68	-86.73
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019894434	1	32	-2.0	-93.39	309.54	6.68	-86.71
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1[O-]	REAL300019894483	1	30	-2.0	-92.42	289.90	5.49	-86.93
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1[O-]	REAL300019894483	1	30	-2.0	-92.39	289.95	5.49	-86.90
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019894484	0	32	-2.0	-88.31	311.66	6.09	-82.22
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019894484	1	32	-2.0	-88.31	311.71	6.10	-82.21
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1[O-]	REAL300019894485	0	30	-2.0	-90.82	303.78	6.02	-84.80
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1[O-]	REAL300019894485	1	30	-2.0	-91.55	304.80	6.04	-85.51
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C([O-])C=CC=C1Cl	REAL300019894497	0	30	-2.0	-95.46	304.86	4.25	-91.21
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C([O-])C=CC=C1Cl	REAL300019894497	1	30	-2.0	-102.98	303.92	4.23	-98.75
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1[O-]	REAL300019894677	0	30	-2.0	-92.11	298.54	5.92	-86.19
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1[O-]	REAL300019894677	1	30	-2.0	-92.03	298.58	5.93	-86.10
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019894709	1	33	-2.0	-88.96	321.17	6.39	-82.57
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019894709	1	33	-2.0	-88.90	321.21	6.41	-82.49
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C([O-])C=C1F	REAL300019894712	1	30	-2.0	-83.21	289.18	3.97	-79.24
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C([O-])C=C1F	REAL300019894712	1	30	-2.0	-83.22	289.22	3.99	-79.23
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C([O-])C(F)=C1	REAL300019894835	1	30	-2.0	-87.55	290.85	3.98	-83.57
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C([O-])C(F)=C1	REAL300019894835	1	30	-2.0	-87.59	290.89	3.99	-83.60
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC=CC=C1[O-]	REAL300019894847	0	29	-2.0	-99.21	280.73	3.72	-95.49
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC=CC=C1[O-]	REAL300019894847	1	29	-2.0	-99.12	280.77	3.72	-95.40
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019894854	0	35	-2.0	-79.28	347.08	2.17	-77.11
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019894854	1	35	-2.0	-79.23	347.12	2.17	-77.06
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019894855	0	34	-2.0	-90.09	322.14	3.96	-86.13
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019894855	1	34	-2.0	-90.04	322.18	3.96	-86.08
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019894856	0	30	-2.0	-84.41	307.88	4.54	-79.87
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019894856	1	30	-2.0	-84.34	307.92	4.54	-79.80
CC1=CN=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C([O-])=C1	REAL300019894865	0	32	-2.0	-100.99	302.16	4.35	-96.64
CC1=CN=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C([O-])=C1	REAL300019894865	1	32	-2.0	-100.95	302.21	4.36	-96.59
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019894873	0	38	-2.0	-84.99	348.34	2.70	-82.29
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019894873	1	38	-2.0	-85.03	348.42	2.70	-82.33
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019894908	0	32	-2.0	-81.27	310.63	5.72	-75.55
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019894908	1	32	-2.0	-81.98	311.63	5.72	-76.26
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019894911	0	30	-2.0	-83.00	301.51	4.09	-78.91
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019894911	1	30	-2.0	-82.88	301.55	4.10	-78.78
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(F)=C([O-])C(F)=C1	REAL300019894917	0	30	-2.0	-86.44	298.05	4.07	-82.37
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(F)=C([O-])C(F)=C1	REAL300019894917	1	30	-2.0	-85.32	297.08	4.05	-81.27
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019894946	0	32	-2.0	-84.57	310.66	6.06	-78.51
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019894946	1	32	-2.0	-84.47	310.70	6.07	-78.40
N#CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1[O-]	REAL300019895027	0	31	-2.0	-82.37	304.82	4.33	-78.04
N#CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1[O-]	REAL300019895027	1	31	-2.0	-82.26	304.86	4.33	-77.93
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C([O-])C=CC=C1F	REAL300019895068	0	30	-2.0	-103.97	294.38	3.85	-100.12
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C([O-])C=CC=C1F	REAL300019895068	1	30	-2.0	-97.73	295.41	3.87	-93.86
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019895105	1	31	-2.0	-89.24	306.54	4.28	-84.96
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019895105	1	31	-2.0	-89.22	306.59	4.28	-84.94
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019895121	0	30	-2.0	-82.26	304.66	0.19	-82.07
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019895121	1	30	-2.0	-82.22	304.70	0.19	-82.03
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019895148	1	32	-2.0	-81.82	318.67	6.80	-75.02
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019895148	1	32	-2.0	-81.82	318.72	6.80	-75.02
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C(=O)C1=CC=C([O-])C=C1	REAL300019895312	1	32	-2.0	-83.02	304.95	3.75	-79.27
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C(=O)C1=CC=C([O-])C=C1	REAL300019895312	1	32	-2.0	-83.01	305.00	3.75	-79.26
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC([O-])=CS1	REAL300019895421	0	27	-2.0	-89.07	277.89	2.85	-86.22
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC([O-])=CS1	REAL300019895421	1	27	-2.0	-88.06	276.92	2.81	-85.25
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019895479	0	32	-2.0	-79.67	318.72	3.30	-76.37
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019895479	1	32	-2.0	-79.72	318.76	3.31	-76.41
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019895516	0	37	-2.0	-103.44	352.83	5.26	-98.18
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019895516	1	37	-2.0	-103.39	352.87	5.27	-98.12
CN1[N-]C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC1=O	REAL300019895545	0	30	-2.0	-89.47	291.49	2.10	-87.37
CN1[N-]C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC1=O	REAL300019895545	1	30	-2.0	-89.40	291.53	2.10	-87.30
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019895547	0	35	-2.0	-106.33	325.97	6.05	-100.28
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019895547	1	35	-2.0	-106.28	326.02	6.05	-100.23
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019895787	0	35	-2.0	-94.41	327.49	3.41	-91.00
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019895787	1	35	-2.0	-95.69	328.49	3.43	-92.26
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019895863	0	37	-2.0	-108.82	346.41	5.19	-103.63
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019895863	1	37	-2.0	-108.73	346.45	5.19	-103.54
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019895943	0	35	-2.0	-100.17	337.62	0.38	-99.79
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019895943	1	35	-2.0	-100.13	337.67	0.39	-99.74
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019896033	0	33	-2.0	-91.36	319.95	6.43	-84.93
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019896033	1	33	-2.0	-91.30	319.99	6.44	-84.86
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019896036	0	35	-2.0	-80.58	333.92	3.65	-76.93
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019896036	1	35	-2.0	-80.61	333.96	3.65	-76.96
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019896103	0	32	-2.0	-86.29	325.22	7.16	-79.13
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019896103	1	32	-2.0	-86.28	325.27	7.18	-79.10
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019896129	1	35	-2.0	-105.71	324.25	5.90	-99.81
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019896129	1	35	-2.0	-105.66	324.29	5.90	-99.76
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896148	0	33	-2.0	-82.13	309.84	2.82	-79.31
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896148	1	33	-2.0	-82.13	309.80	2.82	-79.31
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896148	1	33	-2.0	-82.11	309.90	2.83	-79.28
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896148	1	33	-2.0	-82.15	309.85	2.83	-79.32
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896174	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	REAL300019896174	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	REAL300019896174	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	REAL300019896174	1	30	-2.0	-81.21	288.36	2.05	-79.16
CC(C)CN1[N-]C(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC1=O	REAL300019897263	0	42	-2.0	-91.28	373.79	5.25	-86.03
CC(C)CN1[N-]C(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC1=O	REAL300019897263	1	42	-2.0	-91.22	373.84	5.26	-85.96
COC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019897313	0	36	-2.0	-91.10	340.83	5.54	-85.56
COC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019897313	1	36	-2.0	-91.06	340.88	5.54	-85.52
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019897314	0	30	-2.0	-90.15	304.87	5.96	-84.19
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019897314	1	30	-2.0	-90.09	304.91	5.97	-84.12
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(F)C([O-])=C1	REAL300019897347	1	30	-2.0	-97.54	290.89	3.95	-93.59
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(F)C([O-])=C1	REAL300019897347	1	30	-2.0	-98.35	291.90	3.96	-94.39
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(Cl)C([O-])=C1	REAL300019897350	0	30	-2.0	-94.05	300.69	4.43	-89.62
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(Cl)C([O-])=C1	REAL300019897350	1	30	-2.0	-94.76	301.69	4.44	-90.32
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)O2)[N-]1	REAL300019897427	1	36	-2.0	-88.11	347.10	4.25	-83.86
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)O2)[N-]1	REAL300019897427	1	36	-2.0	-88.04	347.14	4.25	-83.79
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1[O-]	REAL300019897453	0	30	-2.0	-95.67	288.73	5.46	-90.21
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1[O-]	REAL300019897453	1	30	-2.0	-96.19	289.74	5.48	-90.71
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1[O-]	REAL300019897469	0	30	-2.0	-89.26	295.12	5.52	-83.74
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1[O-]	REAL300019897469	1	30	-2.0	-89.22	295.17	5.53	-83.69
CCOC(=O)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N[N-]1	REAL300019897551	0	35	-2.0	-90.19	335.49	3.72	-86.47
CCOC(=O)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N[N-]1	REAL300019897551	1	35	-2.0	-90.16	335.54	3.73	-86.43
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019897551	1	35	-2.0	-90.24	335.52	3.73	-86.51
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019897551	1	35	-2.0	-90.19	335.56	3.73	-86.46
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019897772	0	35	-2.0	-89.00	331.67	6.44	-82.56
CC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019897772	1	35	-2.0	-88.98	331.70	6.44	-82.54
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(F)C([O-])=C1F	REAL300019897774	0	30	-2.0	-87.94	295.24	4.02	-83.92
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(F)C([O-])=C1F	REAL300019897774	1	30	-2.0	-87.91	295.28	4.03	-83.88
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019897787	0	33	-2.0	-86.32	317.74	5.16	-81.16
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897787	1	33	-2.0	-86.26	317.79	5.16	-81.10
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N[N-]1	REAL300019897814	0	41	-2.0	-92.16	368.51	4.84	-87.32
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N[N-]1	REAL300019897814	1	41	-2.0	-92.10	368.56	4.84	-87.26
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019897814	1	41	-2.0	-92.20	368.55	4.85	-87.35
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019897814	1	41	-2.0	-92.12	368.59	4.85	-87.27
N#CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019897903	0	30	-2.0	-93.31	297.81	2.39	-90.92
N#CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019897903	1	30	-2.0	-93.31	297.87	2.39	-90.92
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898163	1	29	-2.0	-87.20	292.15	4.51	-82.69
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898163	1	29	-2.0	-87.08	292.20	4.52	-82.56
O=C(NCC1=CC=CC(Cl)=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019899789	1	35	-2.0	-98.54	325.94	4.89	-93.65
O=C(NCC1=CC=CC(Cl)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019899790	1	32	-2.0	-83.62	312.19	1.75	-81.87
O=C(NCC1=CC=CC(Cl)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019899790	1	32	-2.0	-83.59	312.26	1.76	-81.83
COC(=O)C1=CN=C(NC(=O)CCCC2=N[N-]N=N2)C([O-])=C1	REAL300019899857	1	34	-2.0	-91.97	310.40	1.71	-90.26
COC(=O)C1=CN=C(NC(=O)CCCC2=NN=N[N-]2)C([O-])=C1	REAL300019899857	1	34	-2.0	-91.99	310.46	1.73	-90.26
COC(=O)C1=CN=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C([O-])=C1	REAL300019899858	1	37	-2.0	-99.85	334.70	4.64	-95.21
COC(=O)C1=CN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C([O-])=C1	REAL300019899859	1	34	-2.0	-84.83	320.96	1.51	-83.32
COC(=O)C1=CN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C([O-])=C1	REAL300019899859	1	34	-2.0	-84.84	321.03	1.51	-83.33
O=C(C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019900264	1	44	-2.0	-107.76	379.10	3.49	-104.27
O=C(C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019900264	1	44	-2.0	-107.73	379.16	3.52	-104.21
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019900267	0	37	-2.0	-122.03	340.72	0.24	-121.79
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019900267	1	37	-2.0	-122.05	340.77	0.26	-121.79
O=C(C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019900268	1	44	-2.0	-104.22	379.29	3.51	-100.71
O=C(C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019900268	1	44	-2.0	-104.23	379.35	3.54	-100.69
CCOC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300019900331	1	37	-2.0	-99.61	325.22	3.07	-96.54
CCOC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300019900331	1	37	-2.0	-99.62	325.27	3.09	-96.53
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019900553	1	44	-2.0	-105.19	372.82	3.00	-102.19
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019900553	1	44	-2.0	-105.24	372.90	3.00	-102.24
CSC1=NC(C)=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019901119	1	41	-2.0	-112.12	357.22	2.11	-110.01
CSC1=NC(C)=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019901119	1	41	-2.0	-112.10	357.27	2.14	-109.96
C=CCN1C(=O)C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019901223	0	42	-2.0	-90.06	366.20	5.38	-84.68
C=CCN1C(=O)C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019901223	1	42	-2.0	-90.09	366.26	5.41	-84.68
CN1C(=O)C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019901224	0	38	-2.0	-91.61	325.03	3.38	-88.23
CN1C(=O)C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019901224	1	38	-2.0	-91.64	325.10	3.38	-88.26
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019901229	1	36	-2.0	-109.80	337.45	5.34	-104.46
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019901229	1	36	-2.0	-109.81	337.51	5.37	-104.44
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019901252	1	39	-2.0	-108.27	361.54	6.69	-101.58
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019901252	1	39	-2.0	-108.25	361.60	6.72	-101.53
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019901253	1	42	-2.0	-113.56	366.22	6.85	-106.71
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019901253	1	42	-2.0	-113.58	366.28	6.88	-106.70
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019901254	0	38	-2.0	-120.16	339.43	4.77	-115.39
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019901254	1	38	-2.0	-120.14	339.49	4.80	-115.34
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019901276	1	45	-2.0	-108.55	386.32	7.45	-101.10
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019901276	1	45	-2.0	-108.53	386.38	7.47	-101.06
CCN1C(=O)C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300019901277	0	41	-2.0	-89.34	352.89	4.82	-84.52
CCN1C(=O)C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300019901277	1	41	-2.0	-89.36	352.95	4.85	-84.51
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019901288	0	41	-2.0	-109.35	360.00	5.24	-104.11
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019901288	1	41	-2.0	-109.38	360.05	5.27	-104.11
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019901317	1	43	-2.0	-111.29	374.25	5.48	-105.81
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019901317	1	43	-2.0	-111.27	374.30	5.51	-105.76
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019901318	1	42	-2.0	-113.48	366.22	6.84	-106.64
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019901318	1	42	-2.0	-113.44	366.28	6.87	-106.57
O=C(C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019901357	0	45	-2.0	-122.91	380.12	1.90	-121.01
O=C(C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019901357	1	45	-2.0	-122.93	380.18	1.92	-121.01
O=C(C1=CC(Br)=CC=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019901358	1	30	-2.0	-109.10	270.57	3.27	-105.83
O=C(C1=CC(Br)=CC=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019901358	1	30	-2.0	-109.10	270.63	3.27	-105.83
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019901365	1	36	-2.0	-125.02	303.49	5.05	-119.97
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019901367	0	32	-2.0	-103.05	284.67	2.95	-100.10
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019901367	1	32	-2.0	-102.98	284.73	2.96	-100.02
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C2)[N-]1	REAL300019901465	0	46	-2.0	-113.07	384.01	4.09	-108.98
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)[N-]1	REAL300019901465	1	46	-2.0	-113.08	384.07	4.10	-108.98
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019901507	1	43	-2.0	-99.31	367.90	1.22	-98.09
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019901542	0	37	-2.0	-91.34	309.73	-1.73	-93.07
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019901542	1	37	-2.0	-91.28	309.65	-1.74	-93.02
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019902107	1	39	-2.0	-120.35	344.28	5.11	-115.24
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019902107	1	39	-2.0	-120.32	344.34	5.13	-115.19
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019902133	1	35	-2.0	-108.26	306.71	0.59	-107.67
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019902133	1	35	-2.0	-108.26	306.77	0.62	-107.64
CC1=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019902158	0	42	-2.0	-125.16	363.28	1.28	-123.88
CC1=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019902158	1	42	-2.0	-125.17	363.34	1.31	-123.86
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019902270	1	41	-2.0	-119.64	342.65	1.87	-117.77
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019902270	1	41	-2.0	-119.66	342.70	1.90	-117.76
O=C(CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)[N-]C1=NN=C(C2CC2)O1	REAL300019902280	0	41	-2.0	-105.72	356.23	-2.37	-108.09
O=C(CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)[N-]C1=NN=C(C2CC2)O1	REAL300019902280	1	41	-2.0	-105.72	356.28	-2.35	-108.07
O=C(C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019902340	0	38	-2.0	-93.78	336.78	3.16	-90.62
O=C(C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019902340	1	38	-2.0	-93.75	336.72	3.14	-90.61
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019902404	0	34	-2.0	-109.47	304.31	0.85	-108.62
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019902404	1	34	-2.0	-109.50	304.37	0.87	-108.63
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019902532	1	39	-2.0	-118.59	338.21	0.97	-117.62
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019902532	1	39	-2.0	-118.65	338.27	1.00	-117.65
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1	REAL300019902653	1	38	-2.0	-100.06	350.39	-5.13	-105.19
CC1=CC=C(N2[N-]C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC2=O)C=C1	REAL300019902661	0	40	-2.0	-107.94	339.67	4.53	-103.41
CC1=CC=C(N2[N-]C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC2=O)C=C1	REAL300019902661	1	40	-2.0	-108.00	339.73	4.56	-103.44
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019902684	0	32	-2.0	-93.82	284.78	0.32	-93.50
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019902684	1	32	-2.0	-93.80	284.84	0.34	-93.46
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019902766	0	38	-2.0	-125.50	334.39	0.97	-124.53
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019902766	1	38	-2.0	-125.51	334.33	0.95	-124.56
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=N2)C=C1	REAL300019902768	0	41	-2.0	-130.19	349.31	2.71	-127.48
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=N2)C=C1	REAL300019902768	1	41	-2.0	-130.20	349.37	2.74	-127.46
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019902769	0	37	-2.0	-126.06	326.24	3.48	-122.58
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019902769	1	37	-2.0	-126.07	326.29	3.50	-122.57
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC2=O)=N1	REAL300019902770	0	41	-2.0	-115.65	355.18	4.92	-110.73
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CC2=O)=N1	REAL300019902770	1	41	-2.0	-115.72	355.24	4.94	-110.78
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019902772	0	37	-2.0	-136.18	323.19	3.39	-132.79
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019902772	1	37	-2.0	-136.20	323.25	3.41	-132.79
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019902813	0	45	-2.0	-118.02	383.34	-0.31	-118.33
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019902813	1	45	-2.0	-117.97	383.39	-0.28	-118.25
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019902848	1	45	-2.0	-97.95	386.17	7.43	-90.52
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019902848	1	45	-2.0	-97.95	386.23	7.46	-90.49
O=C(CSC1=N[N-]C(=S)S1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019902849	0	29	-2.0	-89.30	300.60	1.89	-87.41
O=C(CSC1=N[N-]C(=S)S1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019902849	1	29	-2.0	-89.29	300.66	1.92	-87.37
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019902875	0	40	-2.0	-126.96	347.59	4.44	-122.52
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019902875	1	40	-2.0	-126.89	347.65	4.47	-122.42
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=N2)C=C1	REAL300019902969	0	46	-2.0	-130.56	380.02	5.33	-125.23
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=N2)C=C1	REAL300019902969	1	46	-2.0	-130.55	380.08	5.35	-125.20
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903027	0	32	-2.0	-91.56	286.35	2.11	-89.45
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903027	1	32	-2.0	-91.55	286.41	2.13	-89.42
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019903030	0	46	-2.0	-103.97	394.37	2.72	-101.25
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019903030	1	46	-2.0	-103.98	394.42	2.75	-101.23
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)S1	REAL300019903055	0	43	-2.0	-103.69	376.62	2.09	-101.60
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)S1	REAL300019903055	1	43	-2.0	-103.69	376.67	2.12	-101.57
O=C(C1=CC=CC(Br)=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903097	0	30	-2.0	-115.96	278.14	3.43	-112.53
O=C(C1=CC=CC(Br)=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903097	1	30	-2.0	-115.95	278.19	3.45	-112.50
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C([O-])=C1	REAL300019903101	1	47	-2.0	-124.92	371.69	2.93	-121.99
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903108	0	32	-2.0	-120.83	283.74	4.15	-116.68
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903108	1	32	-2.0	-120.89	283.80	4.18	-116.71
O=C(C1=CC(I)=CC=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903160	1	30	-2.0	-109.13	276.42	3.75	-105.38
O=C(C1=CC(I)=CC=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903160	1	30	-2.0	-109.14	276.47	3.76	-105.38
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903161	0	32	-2.0	-103.21	273.11	3.41	-99.80
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903161	1	32	-2.0	-103.23	273.17	3.41	-99.82
O=C(C1=CC=C(Br)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903162	1	30	-2.0	-109.10	271.64	3.25	-105.85
O=C(C1=CC=C(Br)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903162	1	30	-2.0	-109.08	271.70	3.26	-105.82
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903164	0	36	-2.0	-117.99	317.66	5.46	-112.53
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903164	1	36	-2.0	-118.00	317.72	5.48	-112.52
O=C(C1=CC=C(I)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905257	1	30	-2.0	-109.77	278.12	3.72	-106.05
O=C(C1=CC=C(I)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905257	1	30	-2.0	-109.74	278.19	3.74	-106.00
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905275	0	30	-2.0	-113.51	285.23	3.45	-110.06
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905275	1	30	-2.0	-113.53	285.29	3.47	-110.06
CSC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019905284	1	32	-2.0	-112.94	283.57	-0.65	-113.59
CSC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019905284	1	32	-2.0	-112.89	283.64	-0.64	-113.53
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C([O-])=C2)O1	REAL300019905299	0	39	-2.0	-129.51	333.91	4.75	-124.76
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C([O-])=C2)O1	REAL300019905299	1	39	-2.0	-129.52	333.97	4.74	-124.78
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905370	0	28	-2.0	-97.79	265.77	0.77	-97.02
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905370	1	28	-2.0	-97.82	265.83	0.79	-97.03
O=C(C1=NC=C(Br)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905465	0	29	-2.0	-115.64	275.11	2.90	-112.74
O=C(C1=NC=C(Br)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905465	1	29	-2.0	-115.65	275.17	2.92	-112.73
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C2)O1	REAL300019905590	1	39	-2.0	-129.50	341.40	4.94	-124.56
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)O1	REAL300019905590	1	39	-2.0	-129.44	341.46	4.96	-124.48
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905627	0	30	-2.0	-109.66	290.47	3.80	-105.86
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905627	1	30	-2.0	-109.67	290.53	3.83	-105.84
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019905628	1	35	-2.0	-112.22	301.20	3.22	-109.00
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019905628	1	35	-2.0	-112.20	301.26	3.24	-108.96
CC(C)CN1[N-]C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC1=O	REAL300019905715	0	42	-2.0	-116.14	350.22	3.25	-112.89
CC(C)CN1[N-]C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC1=O	REAL300019905715	1	42	-2.0	-116.12	350.27	3.28	-112.84
COC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019905769	0	36	-2.0	-96.89	313.33	3.09	-93.80
COC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019905769	1	36	-2.0	-96.92	313.38	3.12	-93.80
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905770	0	30	-2.0	-108.09	272.02	3.11	-104.98
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905770	1	30	-2.0	-108.15	272.04	3.10	-105.05
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)O2)[N-]1	REAL300019905883	1	36	-2.0	-95.43	320.52	2.29	-93.14
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)O2)[N-]1	REAL300019905883	1	36	-2.0	-95.38	320.57	2.32	-93.06
COCC1=NC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019906114	1	35	-2.0	-107.51	309.61	-1.27	-108.78
COCC1=NC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019906114	1	35	-2.0	-107.52	309.66	-1.26	-108.78
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019908728	0	43	-2.0	-106.23	365.91	2.08	-104.15
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019908728	1	43	-2.0	-106.21	365.96	2.09	-104.12
CSC1=NC(C)=C(CCC(=O)N2CCC(CC3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019908750	1	44	-2.0	-88.65	378.90	2.98	-85.67
CSC1=NC(C)=C(CCC(=O)N2CCC(CC3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300019908750	1	44	-2.0	-88.64	378.96	2.99	-85.65
C=CCN1C(=O)C2=CC=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300019908880	0	45	-2.0	-83.29	386.63	6.15	-77.14
C=CCN1C(=O)C2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300019908880	1	45	-2.0	-83.31	386.68	6.16	-77.15
CN1C(=O)C2=CC=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300019908881	0	41	-2.0	-82.28	352.23	4.53	-77.75
CN1C(=O)C2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300019908881	1	41	-2.0	-82.26	352.29	4.54	-77.72
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019908905	1	39	-2.0	-93.62	360.28	6.27	-87.35
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019908905	1	39	-2.0	-93.62	360.35	6.29	-87.33
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019908959	1	45	-2.0	-95.27	389.08	7.78	-87.49
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019908959	1	45	-2.0	-95.32	389.14	7.79	-87.53
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(CC2=N[N-]N=N2)C1	REAL300019908960	0	41	-2.0	-91.72	362.24	5.69	-86.03
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(CC2=NN=N[N-]2)C1	REAL300019908960	1	41	-2.0	-91.73	362.30	5.71	-86.02
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019908990	1	48	-2.0	-91.60	408.93	8.35	-83.25
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019908990	1	48	-2.0	-91.58	408.98	8.37	-83.21
CCN1C(=O)C2=CC=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300019908991	0	44	-2.0	-92.68	373.37	5.61	-87.07
CCN1C(=O)C2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300019908991	1	44	-2.0	-92.72	373.43	5.62	-87.10
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(CC2=N[N-]N=N2)C1	REAL300019909011	0	44	-2.0	-88.18	382.81	6.17	-82.01
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(CC2=NN=N[N-]2)C1	REAL300019909011	1	44	-2.0	-88.16	382.87	6.19	-81.97
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019909049	1	45	-2.0	-95.56	389.09	7.76	-87.80
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019909049	1	45	-2.0	-95.59	389.15	7.78	-87.81
O=C(C1=CC(Br)=CC=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019909097	1	33	-2.0	-107.37	303.24	4.07	-103.30
O=C(C1=CC(Br)=CC=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019909097	1	33	-2.0	-107.38	303.30	4.09	-103.29
O=C(C1=CC(Cl)=CC=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019909098	1	33	-2.0	-107.41	298.67	3.96	-103.45
O=C(C1=CC(Cl)=CC=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019909098	1	33	-2.0	-107.44	298.73	3.97	-103.47
O=C(C1=CC=C(Cl)C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019909105	1	33	-2.0	-109.89	298.64	4.00	-105.89
O=C(C1=CC=C(Cl)C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019909105	1	33	-2.0	-109.89	298.70	4.02	-105.87
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019909106	0	33	-2.0	-92.20	294.63	2.81	-89.39
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019909106	1	33	-2.0	-92.22	294.68	2.83	-89.39
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019909110	1	39	-2.0	-119.30	326.96	5.78	-113.52
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019909110	1	39	-2.0	-119.31	327.03	5.81	-113.50
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019909113	0	35	-2.0	-87.73	304.64	4.04	-83.69
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019909113	1	35	-2.0	-87.76	304.70	4.06	-83.70
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019909327	0	40	-2.0	-93.28	336.52	-0.43	-93.71
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019909327	1	40	-2.0	-93.28	336.58	-0.41	-93.69
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019909658	0	46	-2.0	-108.58	387.63	3.08	-105.50
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019909658	1	46	-2.0	-108.61	387.69	3.10	-105.51
NC1=NC([O-])=C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)S1	REAL300019909877	0	34	-2.0	-98.95	309.22	-1.66	-100.61
NC1=NC([O-])=C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)S1	REAL300019909877	1	34	-2.0	-98.90	309.28	-1.64	-100.54
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019909999	0	43	-2.0	-108.01	366.13	2.29	-105.72
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019909999	1	43	-2.0	-108.04	366.19	2.31	-105.73
CC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019910032	1	42	-2.0	-96.80	367.40	6.02	-90.78
CC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019910032	1	42	-2.0	-96.79	367.46	6.04	-90.75
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019910069	1	38	-2.0	-88.38	329.57	1.51	-86.87
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019910069	1	38	-2.0	-88.41	329.63	1.52	-86.89
CC1=C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019910095	0	45	-2.0	-108.72	386.08	2.19	-106.53
CC1=C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019910095	1	45	-2.0	-108.77	386.14	2.21	-106.56
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019910249	1	44	-2.0	-99.76	365.46	2.78	-96.98
O=C(CCC(=O)N1CCC(CC2=N[N-]N=N2)C1)[N-]C1=NN=C(C2CC2)O1	REAL300019910269	0	44	-2.0	-90.84	379.04	-1.46	-92.30
O=C(CCC(=O)N1CCC(CC2=NN=N[N-]2)C1)[N-]C1=NN=C(C2CC2)O1	REAL300019910269	1	44	-2.0	-90.85	379.10	-1.44	-92.29
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019910434	0	37	-2.0	-87.72	327.11	1.76	-85.96
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019910434	1	37	-2.0	-87.71	327.17	1.77	-85.94
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019910622	1	42	-2.0	-99.44	361.04	1.89	-97.55
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019910622	1	42	-2.0	-99.45	361.10	1.90	-97.55
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)O1	REAL300019910790	1	41	-2.0	-92.01	373.21	-4.30	-96.31
CC1=CC=C(N2[N-]C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=CC2=O)C=C1	REAL300019910800	0	43	-2.0	-97.49	362.39	5.34	-92.15
CC1=CC=C(N2[N-]C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=CC2=O)C=C1	REAL300019910800	1	43	-2.0	-97.47	362.45	5.36	-92.11
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019910829	0	35	-2.0	-86.18	311.84	1.68	-84.50
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019910829	1	35	-2.0	-86.20	311.90	1.69	-84.51
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019910936	0	41	-2.0	-105.41	356.57	2.30	-103.11
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019910936	1	41	-2.0	-105.39	356.51	2.28	-103.11
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=N2)C=C1	REAL300019910940	0	44	-2.0	-117.50	372.07	3.54	-113.96
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=N2)C=C1	REAL300019910940	1	44	-2.0	-117.47	372.13	3.55	-113.92
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019910941	0	40	-2.0	-113.85	349.00	4.30	-109.55
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019910941	1	40	-2.0	-113.86	349.06	4.32	-109.54
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=CC2=O)=N1	REAL300019910942	0	44	-2.0	-104.89	377.91	5.74	-99.15
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=CC2=O)=N1	REAL300019910942	1	44	-2.0	-104.87	377.96	5.76	-99.11
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019910943	0	40	-2.0	-121.29	347.07	4.38	-116.91
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019910943	1	40	-2.0	-121.31	347.13	4.40	-116.91
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019911041	1	48	-2.0	-88.23	409.02	8.34	-79.89
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019911041	1	48	-2.0	-88.23	409.07	8.36	-79.87
O=C(CSC1=N[N-]C(=S)S1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019911042	0	32	-2.0	-85.14	323.38	2.76	-82.38
O=C(CSC1=N[N-]C(=S)S1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019911042	1	32	-2.0	-85.19	323.44	2.77	-82.42
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL300019911073	0	43	-2.0	-114.67	369.73	5.23	-109.44
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL300019911073	1	43	-2.0	-114.75	369.79	5.25	-109.50
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=N2)C=C1	REAL300019911197	0	49	-2.0	-117.61	402.78	6.15	-111.46
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=N2)C=C1	REAL300019911197	1	49	-2.0	-117.66	402.84	6.18	-111.48
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019911282	0	35	-2.0	-91.06	306.82	2.89	-88.17
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019911282	1	35	-2.0	-91.02	306.88	2.91	-88.11
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCC(CC3=N[N-]N=N3)C2)S1	REAL300019911285	0	49	-2.0	-88.48	418.38	3.77	-84.71
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCC(CC3=NN=N[N-]3)C2)S1	REAL300019911285	1	49	-2.0	-88.53	418.44	3.79	-84.74
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCC(CC3=N[N-]N=N3)C2)S1	REAL300019911331	0	46	-2.0	-88.46	399.45	3.00	-85.46
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCC(CC3=NN=N[N-]3)C2)S1	REAL300019911331	1	46	-2.0	-88.50	399.51	3.02	-85.48
O=C(C1=CC=CC(Br)=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019911389	0	33	-2.0	-110.87	302.29	4.10	-106.77
O=C(C1=CC=CC(Br)=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019911389	1	33	-2.0	-110.91	302.35	4.12	-106.79
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C([O-])=C1	REAL300019911393	1	50	-2.0	-125.78	403.64	3.76	-122.02
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019911403	0	35	-2.0	-116.97	307.94	4.96	-112.01
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019911403	1	35	-2.0	-116.98	308.00	4.98	-112.00
O=C(C1=CC(I)=CC=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019911471	1	33	-2.0	-107.75	309.72	4.54	-103.21
O=C(C1=CC(I)=CC=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019911471	1	33	-2.0	-107.80	309.78	4.56	-103.24
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019911472	0	35	-2.0	-98.24	310.11	4.08	-94.16
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019911472	1	35	-2.0	-98.27	310.16	4.10	-94.17
O=C(C1=CC=C(Br)C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019911473	1	33	-2.0	-109.87	303.21	4.11	-105.76
O=C(C1=CC=C(Br)C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019911473	1	33	-2.0	-109.88	303.27	4.12	-105.76
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019911476	0	39	-2.0	-110.64	341.27	6.26	-104.38
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019911476	1	39	-2.0	-110.61	341.33	6.27	-104.34
O=C(C1=C([O-])C=CC=C1Cl)N1CCC(CC2=N[N-]N=N2)C1	REAL300019911489	1	33	-2.0	-107.53	304.07	3.10	-104.43
O=C(C1=C([O-])C=CC=C1Cl)N1CCC(CC2=NN=N[N-]2)C1	REAL300019911489	1	33	-2.0	-107.54	304.13	3.11	-104.43
O=C(C1=CC=CC(Cl)=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019911723	0	33	-2.0	-112.00	297.90	3.99	-108.01
O=C(C1=CC=CC(Cl)=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019911723	1	33	-2.0	-112.04	297.97	4.01	-108.03
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019911768	1	36	-2.0	-108.19	320.62	4.48	-103.71
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019911768	1	36	-2.0	-108.27	320.67	4.49	-103.78
O=C(C1=CC=C(I)C([O-])=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019911963	1	33	-2.0	-86.68	305.34	3.38	-83.30
O=C(C1=CC=C(I)C([O-])=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019911963	1	33	-2.0	-86.71	305.39	3.40	-83.31
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019911979	0	38	-2.0	-88.69	341.25	0.51	-88.18
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019911979	1	38	-2.0	-88.69	341.31	0.53	-88.16
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019911980	0	37	-2.0	-89.48	320.97	2.37	-87.11
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019911980	1	37	-2.0	-89.51	321.02	2.38	-87.13
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019911981	0	33	-2.0	-89.69	300.80	2.87	-86.82
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019911981	1	33	-2.0	-89.66	300.86	2.89	-86.77
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019912000	0	41	-2.0	-79.08	338.02	2.75	-76.33
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019912000	1	41	-2.0	-79.07	338.08	2.77	-76.30
O=C(C1=CC=CC(I)=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019912003	0	33	-2.0	-108.34	308.57	4.58	-103.76
O=C(C1=CC=CC(I)=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019912003	1	33	-2.0	-108.37	308.62	4.59	-103.78
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019912024	0	44	-2.0	-111.00	377.46	1.46	-109.54
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019912024	1	44	-2.0	-110.99	377.52	1.48	-109.51
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019912053	0	35	-2.0	-94.82	304.60	4.07	-90.75
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019912053	1	35	-2.0	-94.83	304.66	4.08	-90.75
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019912055	0	33	-2.0	-97.92	301.12	2.61	-95.31
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019912055	1	33	-2.0	-97.92	301.18	2.63	-95.29
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019912062	0	33	-2.0	-92.18	291.22	2.45	-89.73
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019912062	1	33	-2.0	-92.20	291.28	2.46	-89.74
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019912096	0	35	-2.0	-105.31	310.08	4.16	-101.15
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019912096	1	35	-2.0	-105.31	310.13	4.18	-101.13
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019912128	0	38	-2.0	-76.25	324.42	1.47	-74.78
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019912128	1	38	-2.0	-76.25	324.48	1.49	-74.76
COC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)NC(=O)[N-]C1=O	REAL300019912236	1	36	-2.0	-91.11	307.26	-1.44	-92.55
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019912279	1	34	-2.0	-85.91	309.26	2.15	-83.76
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019912279	1	34	-2.0	-85.90	309.32	2.16	-83.74
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019912342	0	33	-2.0	-92.21	304.83	-0.89	-93.10
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019912342	1	33	-2.0	-92.29	304.89	-0.87	-93.16
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019912383	1	35	-2.0	-94.67	322.28	5.52	-89.15
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019912383	1	35	-2.0	-94.65	322.35	5.54	-89.11
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019912402	0	42	-2.0	-101.60	366.24	5.14	-96.46
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019912402	1	42	-2.0	-96.93	366.34	5.16	-91.77
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019912402	1	42	-2.0	-101.61	366.29	5.15	-96.46
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=N2)=C1	REAL300019912537	0	43	-2.0	-122.67	367.34	4.89	-117.78
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=N2)=C1	REAL300019912537	1	43	-2.0	-122.70	367.40	4.90	-117.80
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=N2)=C1	REAL300019912550	0	49	-2.0	-118.54	402.85	6.16	-112.38
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=N2)=C1	REAL300019912550	1	49	-2.0	-118.51	402.91	6.17	-112.34
O=C(C(=O)N1CCC(CC2=N[N-]N=N2)C1)C1=CC=C([O-])C=C1	REAL300019912592	1	35	-2.0	-90.23	302.10	2.58	-87.65
O=C(C(=O)N1CCC(CC2=NN=N[N-]2)C1)C1=CC=C([O-])C=C1	REAL300019912592	1	35	-2.0	-90.30	302.16	2.59	-87.71
O=C(C1=C(F)C=CC([O-])=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019912679	1	33	-2.0	-95.15	300.97	2.71	-92.44
O=C(C1=C(F)C=CC([O-])=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019912679	1	33	-2.0	-95.18	301.02	2.73	-92.45
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019912841	0	35	-2.0	-97.54	311.85	1.63	-95.91
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019912841	1	35	-2.0	-97.60	311.90	1.64	-95.96
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019912887	0	40	-2.0	-116.50	349.00	4.30	-112.20
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019912887	1	40	-2.0	-116.53	349.06	4.32	-112.21
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019912925	1	38	-2.0	-118.39	321.49	5.45	-112.94
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019912925	1	38	-2.0	-118.43	321.55	5.47	-112.96
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019913094	0	40	-2.0	-116.23	359.32	4.76	-111.47
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019913094	1	40	-2.0	-116.19	359.38	4.77	-111.42
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019913095	0	40	-2.0	-116.93	352.32	4.27	-112.66
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019913095	1	40	-2.0	-116.90	352.38	4.28	-112.62
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019913309	0	40	-2.0	-118.75	342.57	4.22	-114.53
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019913309	1	40	-2.0	-118.74	342.62	4.24	-114.50
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019913399	0	38	-2.0	-114.04	336.06	-1.63	-115.67
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019913399	1	38	-2.0	-114.04	336.11	-1.61	-115.65
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019913513	0	36	-2.0	-106.98	319.51	4.50	-102.48
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019913513	1	36	-2.0	-107.00	319.57	4.52	-102.48
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019913516	0	38	-2.0	-86.69	327.91	1.99	-84.70
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019913516	1	38	-2.0	-86.72	327.97	2.01	-84.71
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019913595	0	35	-2.0	-108.06	324.81	5.33	-102.73
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019913595	1	35	-2.0	-108.11	324.87	5.35	-102.76
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019913626	1	38	-2.0	-125.40	322.81	3.93	-121.47
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019913626	1	38	-2.0	-125.41	322.85	3.95	-121.46
N#CC1=CN(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300019914008	0	36	-2.0	-92.00	328.32	0.04	-91.96
N#CC1=CN(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300019914008	1	36	-2.0	-92.02	328.38	0.06	-91.96
N#CC1=CN(CCC(=O)N2CCC(CC3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300019914012	0	39	-2.0	-86.78	349.39	0.54	-86.24
N#CC1=CN(CCC(=O)N2CCC(CC3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300019914012	1	39	-2.0	-86.77	349.45	0.55	-86.22
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914015	1	40	-2.0	-120.94	338.35	2.81	-118.13
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914015	1	40	-2.0	-120.93	338.40	2.83	-118.10
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019914076	0	39	-2.0	-100.84	340.07	0.47	-100.37
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019914076	1	39	-2.0	-100.85	340.01	0.45	-100.40
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=N1	REAL300019914163	0	46	-2.0	-120.68	381.46	5.88	-114.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL300019914163	1	46	-2.0	-120.69	381.51	5.90	-114.79
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914166	0	39	-2.0	-87.35	325.22	4.28	-83.07
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914166	1	39	-2.0	-87.34	325.16	4.27	-83.07
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914166	1	39	-2.0	-86.70	327.14	4.27	-82.43
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914166	1	39	-2.0	-86.70	327.09	4.25	-82.45
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914167	0	36	-2.0	-82.22	317.01	1.93	-80.29
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914167	1	36	-2.0	-82.23	316.95	1.92	-80.31
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914167	1	36	-2.0	-82.20	317.07	1.93	-80.27
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914167	1	36	-2.0	-82.19	317.02	1.92	-80.27
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914172	0	39	-2.0	-85.82	336.09	0.10	-85.72
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914172	1	39	-2.0	-85.84	336.15	0.11	-85.73
COC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019915266	0	39	-2.0	-91.28	333.98	3.91	-87.37
COC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019915266	1	39	-2.0	-91.34	334.04	3.92	-87.42
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019915267	0	33	-2.0	-111.41	304.29	4.05	-107.36
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019915267	1	33	-2.0	-111.42	304.35	4.06	-107.36
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019915308	0	33	-2.0	-88.36	294.67	2.79	-85.57
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019915308	1	33	-2.0	-88.37	294.73	2.81	-85.56
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)O2)[N-]1	REAL300019915423	1	39	-2.0	-87.06	343.26	3.13	-83.93
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)O2)[N-]1	REAL300019915423	1	39	-2.0	-87.07	343.32	3.15	-83.92
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019915479	0	33	-2.0	-107.72	294.71	3.39	-104.33
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019915479	1	33	-2.0	-107.75	294.77	3.40	-104.35
COCC1=NC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019915740	1	38	-2.0	-105.10	332.26	-0.39	-105.49
COCC1=NC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300019915740	1	38	-2.0	-105.11	332.32	-0.37	-105.48
CC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019915879	0	38	-2.0	-88.49	324.62	4.77	-83.72
CC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019915879	1	38	-2.0	-88.43	324.67	4.78	-83.65
O=C(C1=CC=C(F)C([O-])=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019915883	0	33	-2.0	-106.33	294.61	2.56	-103.77
O=C(C1=CC=C(F)C([O-])=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019915883	1	33	-2.0	-106.39	294.67	2.58	-103.81
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019915896	0	36	-2.0	-88.28	317.43	3.60	-84.68
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019915896	1	36	-2.0	-88.29	317.49	3.62	-84.67
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019918386	1	36	-2.0	-102.01	328.53	7.67	-94.34
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019918386	1	36	-2.0	-101.97	328.57	7.68	-94.29
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CC=C1[O-]	REAL300019918388	1	30	-2.0	-93.46	303.77	6.02	-87.44
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CC=C1[O-]	REAL300019918388	1	30	-2.0	-93.42	303.82	6.02	-87.40
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1[O-]	REAL300019918389	0	30	-2.0	-93.64	299.21	5.91	-87.73
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1[O-]	REAL300019918389	1	30	-2.0	-93.60	299.25	5.92	-87.68
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1[O-]	REAL300019918397	0	30	-2.0	-92.80	299.20	5.92	-86.88
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1[O-]	REAL300019918397	1	30	-2.0	-92.74	299.25	5.92	-86.82
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C(Cl)=C1	REAL300019918398	0	30	-2.0	-83.89	301.65	4.49	-79.40
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C([O-])C(Cl)=C1	REAL300019918398	1	30	-2.0	-83.86	301.69	4.50	-79.36
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019918403	1	36	-2.0	-103.51	328.44	7.76	-95.75
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019918403	1	36	-2.0	-103.47	328.47	7.77	-95.70
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019918405	0	32	-2.0	-83.98	311.64	5.72	-78.26
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019918405	1	32	-2.0	-83.96	311.68	5.72	-78.24
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)O1	REAL300019918485	1	34	-2.0	-92.54	337.46	-0.24	-92.78
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019918485	1	34	-2.0	-92.50	337.51	-0.25	-92.75
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019918529	0	37	-2.0	-84.11	343.56	1.25	-82.86
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019918529	1	37	-2.0	-84.08	343.61	1.25	-82.83
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(=O)N[N-]1	REAL300019918613	0	27	-2.0	-86.87	267.66	0.36	-86.51
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(=O)N[N-]1	REAL300019918613	1	27	-2.0	-86.86	267.70	0.36	-86.50
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019918708	1	29	-2.0	-87.87	292.46	4.94	-82.93
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019918708	1	29	-2.0	-87.81	292.51	4.95	-82.86
NC1=NC([O-])=C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)S1	REAL300019918891	0	31	-2.0	-106.52	310.02	-0.55	-107.07
NC1=NC([O-])=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)S1	REAL300019918891	1	31	-2.0	-106.52	310.06	-0.55	-107.07
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019919011	1	35	-2.0	-87.69	329.30	2.58	-85.11
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019919011	1	35	-2.0	-87.64	329.35	2.58	-85.06
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019919109	0	41	-2.0	-93.68	365.22	3.86	-89.82
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019919109	1	41	-2.0	-93.70	365.27	3.86	-89.84
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(=O)N[N-]1	REAL300019919208	0	27	-2.0	-86.87	267.66	0.36	-86.51
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(=O)N[N-]1	REAL300019919208	1	27	-2.0	-86.86	267.70	0.36	-86.50
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019919210	0	34	-2.0	-85.89	327.89	2.88	-83.01
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019919210	1	34	-2.0	-85.84	327.93	2.89	-82.95
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019919319	1	39	-2.0	-96.10	361.82	2.97	-93.13
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019919319	1	39	-2.0	-96.08	361.86	2.98	-93.10
CC1=CC=C(N2[N-]C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)=CC2=O)C=C1	REAL300019919435	0	40	-2.0	-95.50	365.42	6.31	-89.19
CC1=CC=C(N2[N-]C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CC2=O)C=C1	REAL300019919435	1	40	-2.0	-95.42	365.46	6.31	-89.11
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019919452	0	32	-2.0	-78.73	317.65	3.30	-75.43
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019919452	1	32	-2.0	-78.69	317.69	3.29	-75.40
CCN1[N-]C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300019919461	0	33	-2.0	-90.58	312.20	3.00	-87.58
CCN1[N-]C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300019919461	1	33	-2.0	-90.59	312.25	3.01	-87.58
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019919524	1	38	-2.0	-106.30	350.55	3.66	-102.64
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019919524	1	38	-2.0	-106.30	350.51	3.66	-102.64
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019919526	0	37	-2.0	-104.58	352.83	5.27	-99.31
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019919526	1	37	-2.0	-104.51	352.87	5.28	-99.23
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019919527	0	37	-2.0	-116.51	350.92	5.36	-111.15
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019919527	1	37	-2.0	-116.48	350.97	5.37	-111.11
O=C(CSC1=N[N-]C(=S)S1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019919587	0	29	-2.0	-78.99	324.20	3.88	-75.11
O=C(CSC1=N[N-]C(=S)S1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019919587	1	29	-2.0	-78.99	324.25	3.89	-75.10
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019919748	0	32	-2.0	-86.38	313.85	4.58	-81.80
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019919748	1	32	-2.0	-86.34	313.90	4.58	-81.76
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NNC(=O)[N-]C1=O	REAL300019919819	0	28	-2.0	-85.61	279.22	-1.81	-87.42
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NNC(=O)[N-]C1=O	REAL300019919819	1	28	-2.0	-85.53	279.27	-1.80	-87.33
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(Br)=C1[O-]	REAL300019919832	0	30	-2.0	-93.91	303.92	6.07	-87.84
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(Br)=C1[O-]	REAL300019919832	1	30	-2.0	-93.35	302.93	6.04	-87.31
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019919845	0	32	-2.0	-95.04	308.51	6.65	-88.39
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019919845	1	32	-2.0	-94.95	308.55	6.67	-88.28
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1[O-]	REAL300019919894	1	30	-2.0	-93.70	288.89	5.46	-88.24
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1[O-]	REAL300019919894	1	30	-2.0	-93.66	288.94	5.46	-88.20
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019919895	0	32	-2.0	-89.32	310.67	6.07	-83.25
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019919895	1	32	-2.0	-89.24	310.72	6.08	-83.16
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1[O-]	REAL300019919896	0	30	-2.0	-92.97	303.77	6.03	-86.94
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1[O-]	REAL300019919896	1	30	-2.0	-92.92	303.81	6.03	-86.89
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C([O-])C=CC=C1Cl	REAL300019919908	0	30	-2.0	-104.23	303.86	4.24	-99.99
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C([O-])C=CC=C1Cl	REAL300019919908	1	30	-2.0	-104.17	303.90	4.24	-99.93
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1[O-]	REAL300019920088	0	30	-2.0	-94.66	299.53	5.96	-88.70
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1[O-]	REAL300019920088	1	30	-2.0	-94.66	299.57	5.97	-88.69
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019920120	1	33	-2.0	-90.90	321.15	6.40	-84.50
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019920120	1	33	-2.0	-90.92	321.20	6.41	-84.51
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C=C1F	REAL300019920123	1	30	-2.0	-84.09	289.16	3.99	-80.10
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C(F)=C1	REAL300019920246	1	30	-2.0	-86.24	291.85	4.01	-82.23
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C([O-])C(F)=C1	REAL300019920246	1	30	-2.0	-85.32	290.85	4.00	-81.32
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC=CC=C1[O-]	REAL300019920258	0	29	-2.0	-101.19	280.74	3.73	-97.46
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC=CC=C1[O-]	REAL300019920258	1	29	-2.0	-101.12	280.79	3.73	-97.39
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019920265	0	35	-2.0	-79.37	348.07	2.21	-77.16
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019920265	1	35	-2.0	-79.01	347.10	2.18	-76.83
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019920266	0	34	-2.0	-90.40	321.38	3.96	-86.44
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019920266	1	34	-2.0	-90.33	321.43	3.96	-86.37
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019920267	0	30	-2.0	-84.54	307.84	4.55	-79.99
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019920267	1	30	-2.0	-83.65	306.87	4.54	-79.11
CC1=CN=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C([O-])=C1	REAL300019920276	0	32	-2.0	-103.05	302.17	4.36	-98.69
CC1=CN=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C([O-])=C1	REAL300019920276	1	32	-2.0	-102.53	301.18	4.33	-98.20
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019920284	0	38	-2.0	-80.84	342.81	2.80	-78.04
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019920284	1	38	-2.0	-80.80	342.84	2.80	-78.00
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019920319	0	32	-2.0	-82.41	311.62	5.74	-76.67
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019920319	1	32	-2.0	-82.40	311.67	5.75	-76.65
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019920322	0	30	-2.0	-83.91	301.51	4.10	-79.81
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019920322	1	30	-2.0	-83.88	301.55	4.11	-79.77
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(F)=C([O-])C(F)=C1	REAL300019920328	0	30	-2.0	-86.49	298.04	4.08	-82.41
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(F)=C([O-])C(F)=C1	REAL300019920328	1	30	-2.0	-85.56	297.08	4.06	-81.50
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019920357	0	32	-2.0	-86.41	310.66	6.07	-80.34
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019920357	1	32	-2.0	-86.36	310.70	6.08	-80.28
N#CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1[O-]	REAL300019920438	0	31	-2.0	-83.93	305.81	4.35	-79.58
N#CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1[O-]	REAL300019920438	1	31	-2.0	-83.90	305.86	4.36	-79.54
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C([O-])C=CC=C1F	REAL300019920479	0	30	-2.0	-99.94	294.37	3.85	-96.09
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C([O-])C=CC=C1F	REAL300019920479	1	30	-2.0	-99.90	294.40	3.86	-96.04
N#CC1=CC([O-])=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019920516	1	31	-2.0	-88.56	305.50	4.26	-84.30
N#CC1=CC([O-])=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019920516	1	31	-2.0	-88.53	305.54	4.26	-84.27
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019920532	0	30	-2.0	-83.17	305.65	0.22	-82.95
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019920532	1	30	-2.0	-83.18	305.69	0.23	-82.95
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019920559	1	32	-2.0	-82.48	318.67	6.82	-75.66
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019920559	1	32	-2.0	-82.43	318.71	6.82	-75.61
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=C([O-])C=C1	REAL300019920723	1	32	-2.0	-84.16	305.99	3.77	-80.39
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=C([O-])C=C1	REAL300019920723	1	32	-2.0	-83.42	304.98	3.76	-79.66
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC([O-])=CS1	REAL300019920832	0	27	-2.0	-89.07	276.88	2.82	-86.25
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC([O-])=CS1	REAL300019920832	1	27	-2.0	-88.99	276.92	2.82	-86.17
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019920890	0	32	-2.0	-80.08	318.71	3.32	-76.76
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019920890	1	32	-2.0	-80.02	318.75	3.32	-76.70
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019920927	0	37	-2.0	-105.39	352.83	5.27	-100.12
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019920927	1	37	-2.0	-105.23	352.87	5.28	-99.95
CN1[N-]C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300019920956	0	30	-2.0	-90.37	291.48	2.11	-88.26
CN1[N-]C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300019920956	1	30	-2.0	-90.25	291.53	2.11	-88.14
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019920958	0	35	-2.0	-108.09	324.97	6.03	-102.06
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019920958	1	35	-2.0	-108.05	325.02	6.03	-102.02
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019921198	0	35	-2.0	-96.28	328.53	3.43	-92.85
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019921198	1	35	-2.0	-96.34	328.49	3.44	-92.90
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C(F)=C1F	REAL300019922249	0	30	-2.0	-83.44	295.25	4.06	-79.38
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C([O-])C(F)=C1F	REAL300019922249	1	30	-2.0	-83.45	295.30	4.06	-79.39
CSC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019922251	1	32	-2.0	-100.73	313.80	2.46	-98.27
CSC1=NC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019922251	1	32	-2.0	-100.64	313.93	2.47	-98.17
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL300019922254	0	33	-2.0	-93.52	318.06	3.06	-90.46
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL300019922254	1	33	-2.0	-93.65	318.50	3.07	-90.58
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C(Br)C(=O)N=C[N-]1	REAL300019922335	0	28	-2.0	-83.55	292.42	2.32	-81.23
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C(Br)C(=O)N=C[N-]1	REAL300019922335	1	28	-2.0	-83.59	292.38	2.32	-81.27
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019922417	0	30	-2.0	-89.66	310.04	0.40	-89.26
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019922417	1	30	-2.0	-89.58	310.09	0.41	-89.17
CC1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1[O-]	REAL300019922447	1	32	-2.0	-102.01	301.03	4.42	-97.59
CC1=CC=NC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1[O-]	REAL300019922447	1	32	-2.0	-102.00	301.07	4.42	-97.58
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NC=C(Br)C=C1[O-]	REAL300019922454	0	29	-2.0	-94.52	302.04	4.32	-90.20
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NC=C(Br)C=C1[O-]	REAL300019922454	1	29	-2.0	-94.52	302.09	4.32	-90.20
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C[N-]N=CC1=O	REAL300019922559	0	28	-2.0	-89.05	271.65	2.55	-86.50
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C[N-]N=CC1=O	REAL300019922559	1	28	-2.0	-89.03	271.68	2.55	-86.48
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019922601	0	30	-2.0	-89.08	315.23	6.44	-82.64
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019922601	1	30	-2.0	-89.07	315.27	6.44	-82.63
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019922609	0	35	-2.0	-90.20	325.93	5.86	-84.34
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019922609	1	35	-2.0	-90.18	325.98	5.86	-84.32
CC(C)CN1[N-]C(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300019922674	0	42	-2.0	-91.92	371.25	4.94	-86.98
CC(C)CN1[N-]C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300019922674	1	42	-2.0	-91.90	371.30	4.96	-86.94
COC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019922724	0	36	-2.0	-90.93	340.80	5.55	-85.38
COC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019922724	1	36	-2.0	-90.02	339.83	5.54	-84.48
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019922725	0	30	-2.0	-92.19	304.85	5.97	-86.22
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019922725	1	30	-2.0	-92.15	304.89	5.97	-86.18
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C([O-])=C1	REAL300019922758	1	30	-2.0	-88.81	291.89	3.97	-84.84
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C([O-])=C1	REAL300019922758	1	30	-2.0	-88.71	291.93	3.98	-84.73
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C([O-])=C1	REAL300019922761	0	30	-2.0	-86.20	301.68	4.47	-81.73
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C([O-])=C1	REAL300019922761	1	30	-2.0	-86.18	301.73	4.46	-81.72
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)O2)[N-]1	REAL300019922838	1	36	-2.0	-87.46	346.10	4.24	-83.22
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)O2)[N-]1	REAL300019922838	1	36	-2.0	-87.39	346.14	4.24	-83.15
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1[O-]	REAL300019922864	0	30	-2.0	-98.37	289.72	5.50	-92.87
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1[O-]	REAL300019922864	1	30	-2.0	-98.33	289.77	5.50	-92.83
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1[O-]	REAL300019922880	0	30	-2.0	-91.23	295.11	5.53	-85.70
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1[O-]	REAL300019922880	1	30	-2.0	-91.16	295.15	5.53	-85.63
CCOC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N[N-]1	REAL300019922962	0	35	-2.0	-91.27	335.49	3.73	-87.54
CCOC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N[N-]1	REAL300019922962	1	35	-2.0	-91.24	335.53	3.74	-87.50
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019922962	1	35	-2.0	-91.33	335.51	3.74	-87.59
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019922962	1	35	-2.0	-91.24	335.56	3.74	-87.50
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019923183	0	35	-2.0	-88.83	331.66	6.45	-82.38
CC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019923183	1	35	-2.0	-88.07	330.69	6.43	-81.64
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C([O-])=C1F	REAL300019923185	0	30	-2.0	-89.25	295.22	4.03	-85.22
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C([O-])=C1F	REAL300019923185	1	30	-2.0	-89.20	295.26	4.03	-85.17
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923198	0	33	-2.0	-85.46	316.49	5.14	-80.32
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923198	1	33	-2.0	-85.40	316.53	5.16	-80.24
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1[O-]	REAL300019925224	1	30	-2.0	-93.53	293.46	5.57	-87.96
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1[O-]	REAL300019925224	1	30	-2.0	-93.48	293.50	5.57	-87.91
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1[O-]	REAL300019925311	0	30	-2.0	-94.52	304.10	6.07	-88.45
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1[O-]	REAL300019925311	1	30	-2.0	-94.49	304.14	6.07	-88.42
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C=C1F	REAL300019925328	1	30	-2.0	-84.01	293.73	4.09	-79.92
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C(F)=C1	REAL300019925367	1	30	-2.0	-86.16	296.42	4.11	-82.05
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC=C([O-])C(F)=C1	REAL300019925367	1	30	-2.0	-86.11	296.46	4.12	-81.99
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=NC=CC=C1[O-]	REAL300019925375	0	29	-2.0	-100.97	285.31	3.83	-97.14
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=NC=CC=C1[O-]	REAL300019925375	1	29	-2.0	-100.95	285.35	3.84	-97.11
CC1=CN=C(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C([O-])=C1	REAL300019925383	0	32	-2.0	-102.84	306.74	4.47	-98.37
CC1=CN=C(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C([O-])=C1	REAL300019925383	1	32	-2.0	-102.85	306.78	4.47	-98.38
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC(F)=C([O-])C(F)=C1	REAL300019925407	0	30	-2.0	-86.41	302.61	4.18	-82.23
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC(F)=C([O-])C(F)=C1	REAL300019925407	1	30	-2.0	-86.46	302.65	4.19	-82.27
N#CC1=CC=C(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C=C1[O-]	REAL300019925467	0	31	-2.0	-83.84	310.38	4.46	-79.38
N#CC1=CC=C(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C=C1[O-]	REAL300019925467	1	31	-2.0	-83.82	310.42	4.46	-79.36
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=C([O-])C=CC=C1F	REAL300019925491	0	30	-2.0	-99.80	298.93	3.96	-95.84
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=C([O-])C=CC=C1F	REAL300019925491	1	30	-2.0	-99.73	298.97	3.97	-95.76
N#CC1=CC([O-])=CC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)=C1	REAL300019925505	1	31	-2.0	-89.18	311.06	4.39	-84.79
N#CC1=CC([O-])=CC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)=C1	REAL300019925505	1	31	-2.0	-88.44	310.10	4.37	-84.07
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019925512	0	30	-2.0	-83.08	310.22	0.32	-82.76
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019925512	1	30	-2.0	-83.01	310.26	0.34	-82.67
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=C([O-])C=C1	REAL300019925603	1	32	-2.0	-83.98	310.55	3.87	-80.11
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=C([O-])C=C1	REAL300019925603	1	32	-2.0	-83.95	310.59	3.89	-80.06
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC([O-])=CS1	REAL300019925646	0	27	-2.0	-88.95	281.44	2.93	-86.02
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC([O-])=CS1	REAL300019925646	1	27	-2.0	-88.89	281.49	2.93	-85.96
CN1[N-]C(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300019925698	0	30	-2.0	-90.24	296.05	2.22	-88.02
CN1[N-]C(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300019925698	1	30	-2.0	-90.21	296.09	2.22	-87.99
O=C(CCCC1=N[N-]N=N1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019925998	0	33	-2.0	-83.22	315.39	2.96	-80.26
O=C(CCCC1=N[N-]N=N1)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019925998	1	33	-2.0	-83.22	315.35	2.95	-80.27
O=C(CCCC1=NN=N[N-]1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019925998	1	33	-2.0	-83.21	315.45	2.98	-80.23
O=C(CCCC1=NN=N[N-]1)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019925998	1	33	-2.0	-83.27	315.40	2.97	-80.30
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926006	0	30	-2.0	-82.24	293.90	2.18	-80.06
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926006	1	30	-2.0	-82.23	293.85	2.17	-80.06
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926006	1	30	-2.0	-82.18	293.95	2.20	-79.98
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926006	1	30	-2.0	-82.21	293.91	2.18	-80.03
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019927444	0	39	-2.0	-94.74	333.05	0.99	-93.75
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019927444	1	39	-2.0	-94.70	333.22	1.00	-93.70
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019927463	0	39	-2.0	-100.99	349.37	0.65	-100.34
CCOC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC(Cl)=C1[O-]	REAL300019927519	1	39	-2.0	-86.08	337.42	3.60	-82.48
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019927818	0	39	-2.0	-88.19	340.83	1.11	-87.08
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019927818	1	39	-2.0	-88.18	341.00	1.10	-87.08
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019928380	0	42	-2.0	-94.79	355.80	1.70	-93.09
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019928380	1	42	-2.0	-94.78	355.97	1.69	-93.09
C=CCN1C(=O)C2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C2[N-]C1=S	REAL300019928528	0	44	-2.0	-83.35	379.13	5.95	-77.40
C=CCN1C(=O)C2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C2[N-]C1=S	REAL300019928528	1	44	-2.0	-83.31	379.30	5.94	-77.37
CN1C(=O)C2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C2[N-]C1=S	REAL300019928529	0	40	-2.0	-83.43	344.58	4.45	-78.98
CN1C(=O)C2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C2[N-]C1=S	REAL300019928529	1	40	-2.0	-83.41	344.74	4.44	-78.97
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCN(C2=NN=N[N-]2)CC1	REAL300019928609	0	40	-2.0	-91.84	348.20	5.21	-86.63
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCN(C2=N[N-]N=N2)CC1	REAL300019928609	1	40	-2.0	-91.79	348.36	5.20	-86.59
CCN1C(=O)C2=CC=C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)C=C2[N-]C1=S	REAL300019928640	0	43	-2.0	-79.10	365.85	5.38	-73.72
CCN1C(=O)C2=CC=C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)C=C2[N-]C1=S	REAL300019928640	1	43	-2.0	-79.05	366.02	5.37	-73.68
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCN(C2=NN=N[N-]2)CC1	REAL300019928658	0	43	-2.0	-86.46	368.77	5.71	-80.75
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCN(C2=N[N-]N=N2)CC1	REAL300019928658	1	43	-2.0	-86.35	368.93	5.70	-80.65
O=C(C1=CC=C(Cl)C=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019928748	1	32	-2.0	-96.11	286.95	3.42	-92.69
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019928749	0	32	-2.0	-82.93	286.29	2.56	-80.37
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019928749	1	32	-2.0	-82.92	286.46	2.55	-80.37
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019928756	0	34	-2.0	-89.92	297.08	3.82	-86.10
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019928756	1	34	-2.0	-89.86	297.25	3.81	-86.05
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019928965	0	39	-2.0	-84.71	328.28	-0.68	-85.39
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019928965	1	39	-2.0	-84.67	328.44	-0.69	-85.36
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019929290	0	45	-2.0	-96.84	376.05	2.67	-94.17
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019929290	1	45	-2.0	-96.79	376.22	2.66	-94.13
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019929625	0	42	-2.0	-96.28	354.55	1.90	-94.38
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019929625	1	42	-2.0	-96.27	354.71	1.89	-94.38
CC1=C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019929720	0	44	-2.0	-104.54	372.95	1.80	-102.74
O=C(CCC(=O)N1CCN(C2=NN=N[N-]2)CC1)[N-]C1=NN=C(C2CC2)O1	REAL300019929892	0	43	-2.0	-91.50	364.96	-1.93	-93.43
O=C(CCC(=O)N1CCN(C2=N[N-]N=N2)CC1)[N-]C1=NN=C(C2CC2)O1	REAL300019929892	1	43	-2.0	-91.44	365.13	-1.93	-93.37
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019930046	0	36	-2.0	-89.68	313.06	1.27	-88.41
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019930046	1	36	-2.0	-89.64	313.23	1.26	-88.38
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019930231	1	41	-2.0	-100.88	346.95	1.40	-99.48
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019930231	1	41	-2.0	-100.84	347.12	1.41	-99.43
CC1=CC=C(N2[N-]C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=CC2=O)C=C1	REAL300019930403	0	42	-2.0	-87.94	348.20	5.01	-82.93
CC1=CC=C(N2[N-]C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=CC2=O)C=C1	REAL300019930403	1	42	-2.0	-87.99	348.37	5.00	-82.99
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019930431	0	34	-2.0	-85.44	303.30	1.39	-84.05
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019930431	1	34	-2.0	-85.47	303.47	1.38	-84.09
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019930535	0	40	-2.0	-101.28	343.94	1.55	-99.73
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=N2)C=C1	REAL300019930539	0	43	-2.0	-102.94	357.85	3.16	-99.78
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=N2)C=C1	REAL300019930539	1	43	-2.0	-102.88	358.01	3.15	-99.73
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019930540	0	39	-2.0	-98.95	334.78	3.92	-95.03
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019930540	1	39	-2.0	-98.88	334.95	3.91	-94.97
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=CC2=O)=N1	REAL300019930541	0	43	-2.0	-96.03	364.06	5.42	-90.61
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=CC2=O)=N1	REAL300019930541	1	43	-2.0	-96.09	364.23	5.41	-90.68
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019930542	0	39	-2.0	-107.45	331.06	3.93	-103.52
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019930542	1	39	-2.0	-107.41	331.22	3.93	-103.48
O=C(CSC1=N[N-]C(=S)S1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019930639	0	31	-2.0	-79.73	309.37	2.37	-77.36
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL300019930671	0	42	-2.0	-102.69	361.18	4.32	-98.37
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL300019930671	1	42	-2.0	-102.64	361.34	4.31	-98.33
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=N2)C=C1	REAL300019930792	0	48	-2.0	-102.72	388.56	5.77	-96.95
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=N2)C=C1	REAL300019930792	1	48	-2.0	-102.68	388.73	5.76	-96.92
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019930873	0	34	-2.0	-78.40	298.51	2.65	-75.75
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019930873	1	34	-2.0	-78.36	298.68	2.64	-75.72
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)S1	REAL300019930918	0	45	-2.0	-89.04	385.36	2.53	-86.51
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCN(C3=N[N-]N=N3)CC2)S1	REAL300019930918	1	45	-2.0	-89.00	385.53	2.53	-86.47
O=C(C1=CC=CC(Br)=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019930977	0	32	-2.0	-96.63	291.06	3.04	-93.59
O=C(C1=CC=CC(Br)=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019930977	1	32	-2.0	-96.60	291.23	3.03	-93.57
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019930991	0	34	-2.0	-102.95	296.23	4.43	-98.52
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019930991	1	34	-2.0	-102.98	296.39	4.43	-98.55
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019931058	0	34	-2.0	-86.25	300.01	3.07	-83.18
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019931058	1	34	-2.0	-86.22	300.17	3.06	-83.16
O=C(C1=CC=C(Br)C=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019931059	1	32	-2.0	-96.07	291.52	3.53	-92.54
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019932387	0	34	-2.0	-88.08	304.18	1.41	-86.67
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019932387	1	34	-2.0	-88.02	304.35	1.40	-86.62
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019932471	1	37	-2.0	-103.85	310.64	4.54	-99.31
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019932638	0	39	-2.0	-102.04	345.42	4.41	-97.63
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019932638	1	39	-2.0	-101.98	345.58	4.40	-97.58
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019932639	0	39	-2.0	-100.74	338.12	3.90	-96.84
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019932639	1	39	-2.0	-100.70	338.29	3.89	-96.81
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019932849	0	39	-2.0	-103.92	328.68	3.88	-100.04
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019932849	1	39	-2.0	-103.84	328.85	3.87	-99.97
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019932942	0	37	-2.0	-99.22	324.84	-2.67	-101.89
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019932942	1	37	-2.0	-99.21	325.01	-2.68	-101.89
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019933055	0	35	-2.0	-97.73	309.26	3.51	-94.22
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019933055	1	35	-2.0	-97.67	309.43	3.50	-94.17
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933058	0	37	-2.0	-90.17	318.18	1.69	-88.48
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019933058	1	37	-2.0	-90.16	318.34	1.68	-88.48
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019933136	0	34	-2.0	-93.88	312.96	4.94	-88.94
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019933136	1	34	-2.0	-93.85	313.13	4.94	-88.91
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019934228	0	30	-2.0	-81.10	274.90	1.21	-79.89
O=C(C1=NC=C(Br)C=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019934368	0	31	-2.0	-91.32	286.64	2.80	-88.52
O=C(C1=NC=C(Br)C=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019934368	1	31	-2.0	-91.30	286.81	2.80	-88.50
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019934568	0	36	-2.0	-80.62	338.77	2.61	-78.01
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019934584	0	32	-2.0	-90.59	302.97	3.96	-86.63
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019934584	1	32	-2.0	-90.51	303.14	3.96	-86.55
CC1=CC(C=O)=C([O-])C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019934588	1	37	-2.0	-92.71	310.58	3.75	-88.96
CC(C)CN1[N-]C(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC1=O	REAL300019934698	0	44	-2.0	-94.42	358.97	3.72	-90.70
CC(C)CN1[N-]C(CC(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC1=O	REAL300019934698	1	44	-2.0	-94.40	359.13	3.71	-90.69
COC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019934763	0	38	-2.0	-85.92	324.09	3.57	-82.35
COC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019934763	1	38	-2.0	-85.82	324.26	3.57	-82.25
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019934764	0	32	-2.0	-97.87	292.73	3.42	-94.45
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019934764	1	32	-2.0	-97.88	292.90	3.41	-94.47
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019934802	0	32	-2.0	-89.69	287.12	2.57	-87.12
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019935373	0	37	-2.0	-82.86	314.97	4.46	-78.40
CC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019935373	1	37	-2.0	-82.79	315.13	4.46	-78.33
O=C(C1=CC=C(F)C([O-])=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019935377	0	32	-2.0	-96.28	283.02	2.15	-94.13
O=C(C1=CC=C(F)C([O-])=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019935377	1	32	-2.0	-96.28	283.19	2.14	-94.14
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019935390	0	35	-2.0	-82.34	305.69	3.27	-79.07
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019935390	1	35	-2.0	-82.28	305.85	3.26	-79.02
N#CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019935558	0	32	-2.0	-79.57	283.55	0.31	-79.26
N#CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019935558	1	32	-2.0	-79.52	283.72	0.30	-79.22
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019935943	0	40	-2.0	-101.87	330.20	-0.71	-102.58
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019935943	1	40	-2.0	-101.82	330.36	-0.72	-102.54
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300019937364	1	41	-2.0	-99.36	371.49	2.60	-96.76
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300019937364	1	41	-2.0	-99.39	371.56	2.59	-96.80
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1(C2=N[N-]N=N2)CC1	REAL300019937367	0	34	-2.0	-114.12	329.26	-1.11	-115.23
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1(C2=NN=N[N-]2)CC1	REAL300019937367	1	34	-2.0	-114.15	329.34	-1.10	-115.25
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300019937368	1	41	-2.0	-102.96	370.63	2.58	-100.38
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300019937368	1	41	-2.0	-102.93	370.70	2.60	-100.33
CCOC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC(Cl)=C1[O-]	REAL300019937431	1	34	-2.0	-95.01	317.60	2.17	-92.84
CCOC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC(Cl)=C1[O-]	REAL300019937431	1	34	-2.0	-95.03	317.66	2.17	-92.86
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3(C4=N[N-]N=N4)CC3)=C2)=C1	REAL300019937571	1	44	-2.0	-110.09	393.10	3.25	-106.84
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=C2)=C1	REAL300019937571	1	44	-2.0	-110.16	393.17	3.24	-106.92
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300019937642	0	38	-2.0	-97.22	362.81	1.61	-95.61
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300019937642	1	38	-2.0	-97.32	362.90	1.62	-95.70
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2)C=C1	REAL300019937664	1	44	-2.0	-95.42	393.08	3.27	-92.15
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2)C=C1	REAL300019937664	1	44	-2.0	-95.39	393.14	3.26	-92.13
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300019937665	1	41	-2.0	-94.72	371.65	2.59	-92.13
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300019937665	1	41	-2.0	-94.75	371.72	2.58	-92.17
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019938174	1	44	-2.0	-94.55	391.56	3.35	-91.20
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019938174	1	44	-2.0	-94.53	391.63	3.35	-91.18
CSC1=NC(C)=C(CCC(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019938201	1	38	-2.0	-106.78	344.40	0.71	-106.07
CSC1=NC(C)=C(CCC(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019938201	1	38	-2.0	-106.74	344.47	0.71	-106.03
C=CCN1C(=O)C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2[N-]C1=S	REAL300019938313	0	39	-2.0	-91.53	358.54	4.47	-87.06
C=CCN1C(=O)C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2[N-]C1=S	REAL300019938313	1	39	-2.0	-91.54	358.60	4.47	-87.07
CN1C(=O)C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2[N-]C1=S	REAL300019938314	0	35	-2.0	-91.37	323.98	2.98	-88.39
CN1C(=O)C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2[N-]C1=S	REAL300019938314	1	35	-2.0	-91.39	324.05	2.97	-88.42
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1(C2=N[N-]N=N2)CC1	REAL300019938321	1	33	-2.0	-117.63	325.33	4.01	-113.62
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1(C2=NN=N[N-]2)CC1	REAL300019938321	1	33	-2.0	-117.71	325.40	4.03	-113.68
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NC1(C2=N[N-]N=N2)CC1	REAL300019938341	1	36	-2.0	-101.10	350.17	5.36	-95.74
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NC1(C2=NN=N[N-]2)CC1	REAL300019938341	1	36	-2.0	-101.10	350.24	5.37	-95.73
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019938342	1	39	-2.0	-121.31	354.85	5.53	-115.78
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019938342	1	39	-2.0	-121.36	354.92	5.53	-115.83
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019938343	1	43	-2.0	-90.10	382.43	4.75	-85.35
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019938343	1	43	-2.0	-90.08	382.50	4.73	-85.35
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1(C2=N[N-]N=N2)CC1	REAL300019938344	0	35	-2.0	-111.90	327.33	3.43	-108.47
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1(C2=NN=N[N-]2)CC1	REAL300019938344	1	35	-2.0	-111.87	327.40	3.45	-108.42
O=C(CCCCCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1(C2=N[N-]N=N2)CC1	REAL300019938345	0	47	-2.0	-100.20	412.82	6.26	-93.94
O=C(CCCCCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1(C2=NN=N[N-]2)CC1	REAL300019938345	1	47	-2.0	-100.25	412.89	6.26	-93.99
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019938366	1	42	-2.0	-92.38	374.39	6.12	-86.26
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019938366	1	42	-2.0	-92.41	374.46	6.10	-86.31
CCN1C(=O)C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2[N-]C1=S	REAL300019938367	0	38	-2.0	-89.77	344.23	3.89	-85.88
CCN1C(=O)C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2[N-]C1=S	REAL300019938367	1	38	-2.0	-89.76	344.30	3.91	-85.85
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1(C2=N[N-]N=N2)CC1	REAL300019938378	0	38	-2.0	-96.92	348.33	3.88	-93.04
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1(C2=NN=N[N-]2)CC1	REAL300019938378	1	38	-2.0	-96.87	348.39	3.89	-92.98
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019938403	1	40	-2.0	-103.86	362.88	4.15	-99.71
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019938403	1	40	-2.0	-103.89	362.95	4.16	-99.73
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019938404	1	39	-2.0	-117.98	352.92	5.51	-112.47
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019938404	1	39	-2.0	-118.00	352.98	5.53	-112.47
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300019938442	0	42	-2.0	-116.46	370.70	1.16	-115.30
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300019938442	1	42	-2.0	-116.48	370.79	1.15	-115.33
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(Br)=CC=C1[O-]	REAL300019938443	1	27	-2.0	-112.01	269.59	2.67	-109.34
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(Br)=CC=C1[O-]	REAL300019938443	1	27	-2.0	-112.01	269.68	2.66	-109.35
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C=C2)[N-]1	REAL300019938545	0	43	-2.0	-97.49	382.22	3.73	-93.76
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2)[N-]1	REAL300019938545	1	43	-2.0	-97.49	382.30	3.74	-93.75
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300019938585	1	40	-2.0	-90.91	366.69	0.82	-90.09
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019938621	0	34	-2.0	-91.06	307.96	-2.09	-93.15
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019938621	1	34	-2.0	-91.03	307.87	-2.10	-93.13
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300019938737	0	38	-2.0	-103.82	363.60	1.58	-102.24
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300019938737	1	38	-2.0	-103.82	363.67	1.58	-102.24
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300019938746	1	29	-2.0	-102.84	291.17	2.32	-100.52
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019939137	1	36	-2.0	-119.57	335.73	4.06	-115.51
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300019939137	1	36	-2.0	-119.61	335.80	4.07	-115.54
CC1=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019939182	0	39	-2.0	-129.09	351.16	-0.08	-129.17
CC1=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019939182	1	39	-2.0	-129.05	351.23	-0.07	-129.12
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL300019939285	0	38	-2.0	-107.93	330.54	0.52	-107.41
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL300019939285	1	38	-2.0	-107.98	330.61	0.52	-107.46
O=C(CCC(=O)NC1(C2=N[N-]N=N2)CC1)[N-]C1=NN=C(C2CC2)O1	REAL300019939294	0	38	-2.0	-100.68	344.55	-3.73	-104.41
O=C(CCC(=O)NC1(C2=NN=N[N-]2)CC1)[N-]C1=NN=C(C2CC2)O1	REAL300019939294	1	38	-2.0	-100.66	344.62	-3.73	-104.39
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300019939349	0	35	-2.0	-97.34	329.17	2.22	-95.12
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300019939349	1	35	-2.0	-97.40	329.10	2.23	-95.17
O=CC1=CC=C(OC(F)(F)C(=O)[N-]C2(C3=N[N-]N=N3)CC2)C=C1	REAL300019939375	1	32	-2.0	-112.84	305.52	1.43	-111.41
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1(C2=N[N-]N=N2)CC1	REAL300019939417	0	31	-2.0	-99.04	292.19	-0.48	-99.52
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1(C2=NN=N[N-]2)CC1	REAL300019939417	1	31	-2.0	-99.06	292.26	-0.47	-99.53
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1(C2=N[N-]N=N2)CC1	REAL300019939537	1	36	-2.0	-111.32	326.55	-0.39	-111.71
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1(C2=NN=N[N-]2)CC1	REAL300019939537	1	36	-2.0	-111.34	326.62	-0.39	-111.73
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)O1	REAL300019939641	1	35	-2.0	-98.49	341.73	-6.65	-105.14
CC1=CC=C(N2[N-]C(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC2=O)C=C1	REAL300019939649	0	37	-2.0	-104.04	331.25	2.84	-101.20
CC1=CC=C(N2[N-]C(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC2=O)C=C1	REAL300019939649	1	37	-2.0	-104.02	331.34	2.84	-101.18
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019939670	0	29	-2.0	-92.59	283.57	-0.05	-92.64
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019939670	1	29	-2.0	-92.65	283.64	-0.05	-92.70
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019939748	0	35	-2.0	-102.41	310.73	0.28	-102.13
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019939748	1	35	-2.0	-102.40	310.67	0.26	-102.14
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C4=N[N-]N=N4)CC3)=N2)C=C1	REAL300019939750	0	38	-2.0	-124.20	340.33	1.00	-123.20
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(C4=NN=N[N-]4)CC3)=N2)C=C1	REAL300019939750	1	38	-2.0	-124.18	340.40	1.03	-123.15
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019939751	0	34	-2.0	-119.96	317.26	1.77	-118.19
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019939751	1	34	-2.0	-120.01	317.33	1.80	-118.21
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3(C4=N[N-]N=N4)CC3)=CC2=O)=N1	REAL300019939752	0	38	-2.0	-112.19	346.76	3.24	-108.95
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3(C4=NN=N[N-]4)CC3)=CC2=O)=N1	REAL300019939752	1	38	-2.0	-112.20	346.85	3.23	-108.97
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019939754	0	34	-2.0	-128.84	315.71	1.89	-126.95
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019939754	1	34	-2.0	-128.88	315.81	1.89	-126.99
COC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019939794	0	42	-2.0	-108.46	374.68	-1.21	-109.67
COC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019939794	1	42	-2.0	-108.45	374.75	-1.20	-109.65
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019939826	0	37	-2.0	-82.34	351.89	0.77	-81.57
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019939826	1	37	-2.0	-82.36	351.96	0.79	-81.57
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019939828	1	42	-2.0	-104.71	374.67	6.10	-98.61
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019939828	1	42	-2.0	-104.71	374.74	6.10	-98.61
O=C(CSC1=N[N-]C(=S)S1)NC1(C2=N[N-]N=N2)CC1	REAL300019939829	0	26	-2.0	-85.49	288.93	0.51	-84.98
O=C(CSC1=N[N-]C(=S)S1)NC1(C2=NN=N[N-]2)CC1	REAL300019939829	1	26	-2.0	-85.52	289.00	0.51	-85.01
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL300019939850	0	37	-2.0	-121.21	339.09	2.76	-118.45
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL300019939850	1	37	-2.0	-121.19	339.17	2.76	-118.43
COC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C1(C2=N[N-]N=N2)CC1	REAL300019939871	1	33	-2.0	-114.29	307.87	1.21	-113.08
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C4=N[N-]N=N4)CC3)=N2)C=C1	REAL300019939938	0	43	-2.0	-124.49	371.04	3.62	-120.87
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(C4=NN=N[N-]4)CC3)=N2)C=C1	REAL300019939938	1	43	-2.0	-124.49	371.11	3.65	-120.84
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300019939958	0	37	-2.0	-93.08	359.67	0.79	-92.29
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300019939958	1	37	-2.0	-93.07	359.59	0.78	-92.29
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL300019939990	0	43	-2.0	-98.47	383.89	1.50	-96.97
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL300019939990	1	43	-2.0	-98.42	383.95	1.51	-96.91
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2(C3=N[N-]N=N3)CC2)S1	REAL300019940009	0	40	-2.0	-98.51	364.96	0.73	-97.78
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2(C3=NN=N[N-]3)CC2)S1	REAL300019940009	1	40	-2.0	-98.53	365.03	0.74	-97.79
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(Br)=C1[O-]	REAL300019940046	0	27	-2.0	-114.24	268.72	2.68	-111.56
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(Br)=C1[O-]	REAL300019940046	1	27	-2.0	-114.29	268.81	2.68	-111.61
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C([O-])=C1	REAL300019940050	1	44	-2.0	-134.38	368.42	2.04	-132.34
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(I)=CC=C1[O-]	REAL300019940102	1	27	-2.0	-112.44	276.08	3.15	-109.29
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(I)=CC=C1[O-]	REAL300019940102	1	27	-2.0	-112.42	276.17	3.14	-109.28
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(Br)C=C1[O-]	REAL300019940103	1	27	-2.0	-114.17	269.58	2.67	-111.50
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(Br)C=C1[O-]	REAL300019940103	1	27	-2.0	-114.15	269.67	2.66	-111.49
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019940104	0	33	-2.0	-116.01	307.50	4.79	-111.22
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019940104	1	33	-2.0	-116.03	307.59	4.79	-111.24
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019941244	0	30	-2.0	-115.50	285.75	3.07	-112.43
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019941244	1	30	-2.0	-115.48	285.84	3.07	-112.41
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019941246	0	32	-2.0	-99.43	299.82	0.32	-99.11
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019941246	1	32	-2.0	-99.43	299.88	0.30	-99.13
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300019941270	0	29	-2.0	-109.01	301.25	2.52	-106.49
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN=C(I)C([O-])=C1	REAL300019941273	0	26	-2.0	-93.19	272.46	-0.25	-93.44
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN=C(I)C([O-])=C1	REAL300019941273	1	26	-2.0	-93.21	272.53	-0.24	-93.45
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019941293	0	29	-2.0	-111.19	290.66	3.79	-107.40
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019941293	1	29	-2.0	-111.14	290.72	3.80	-107.34
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019941469	1	29	-2.0	-102.90	295.74	2.43	-100.47
N#CC1=CN(CC(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)[N-]C1=O	REAL300019941514	0	30	-2.0	-112.04	293.84	-2.19	-114.23
N#CC1=CN(CC(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)[N-]C1=O	REAL300019941514	1	30	-2.0	-112.10	293.90	-2.19	-114.29
N#CC1=CN(CCC(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)[N-]C1=O	REAL300019941517	0	33	-2.0	-100.53	314.87	-1.75	-102.28
N#CC1=CN(CCC(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)[N-]C1=O	REAL300019941517	1	33	-2.0	-100.51	314.93	-1.74	-102.25
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019941520	1	34	-2.0	-124.48	304.41	1.52	-122.96
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019941520	1	34	-2.0	-124.51	304.32	1.53	-122.98
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL300019941555	0	33	-2.0	-94.30	311.02	-1.25	-95.55
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL300019941555	1	33	-2.0	-94.29	310.95	-1.26	-95.55
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL300019941598	0	40	-2.0	-128.40	351.05	3.51	-124.89
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL300019941598	1	40	-2.0	-128.39	351.14	3.51	-124.88
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019941600	0	33	-2.0	-105.18	299.10	2.38	-102.80
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019941600	1	33	-2.0	-105.23	299.03	2.37	-102.86
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019941600	1	33	-2.0	-109.60	299.17	2.51	-107.09
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019941600	1	33	-2.0	-109.58	299.10	2.50	-107.08
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3(C4=N[N-]N=N4)CC3)=C(CCO)C2=O)=N1	REAL300019941629	0	45	-2.0	-110.99	397.23	1.36	-109.63
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3(C4=NN=N[N-]4)CC3)=C(CCO)C2=O)=N1	REAL300019941629	1	45	-2.0	-110.96	397.32	1.36	-109.60
O=C([N-]CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)O1)C(F)(F)F	REAL300019941735	0	33	-2.0	-87.03	326.14	-1.51	-88.54
O=C([N-]CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)O1)C(F)(F)F	REAL300019941735	1	33	-2.0	-87.05	326.23	-1.52	-88.57
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(I)C=C1[O-]	REAL300019941829	1	27	-2.0	-114.40	276.07	3.15	-111.25
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(I)C=C1[O-]	REAL300019941829	1	27	-2.0	-114.43	276.16	3.14	-111.29
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019941842	0	27	-2.0	-111.99	275.81	2.73	-109.26
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019941842	1	27	-2.0	-111.99	275.90	2.73	-109.26
O=CC1=CC=C(C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CC3)C([O-])=C2)O1	REAL300019941863	0	36	-2.0	-137.21	331.86	4.18	-133.03
O=CC1=CC=C(C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C([O-])=C2)O1	REAL300019941863	1	36	-2.0	-137.18	331.95	4.18	-133.00
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(Br)C(=O)[N-]C=N1	REAL300019941920	0	25	-2.0	-93.98	257.17	-1.20	-95.18
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(Br)C(=O)[N-]C=N1	REAL300019941920	1	25	-2.0	-94.03	257.23	-1.17	-95.20
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)[N-]C1(C2=N[N-]N=N2)CC1	REAL300019941971	1	33	-2.0	-113.91	318.20	1.66	-112.25
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NC=C(Br)C=C1[O-]	REAL300019941995	0	26	-2.0	-109.67	266.48	0.90	-108.77
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NC=C(Br)C=C1[O-]	REAL300019941995	1	26	-2.0	-109.69	266.55	0.92	-108.77
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=NC=CC=C1Br	REAL300019942061	1	28	-2.0	-114.38	284.72	1.15	-113.23
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3(C4=N[N-]N=N4)CC3)=C2)O1	REAL300019942105	1	36	-2.0	-115.48	331.64	3.59	-111.89
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3(C4=NN=N[N-]4)CC3)=C2)O1	REAL300019942105	1	36	-2.0	-115.51	331.73	3.58	-111.93
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019942137	0	27	-2.0	-107.76	281.05	3.08	-104.68
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019942137	1	27	-2.0	-107.77	281.14	3.08	-104.69
CC(C)CN1[N-]C(CC(=O)NC2(C3=N[N-]N=N3)CC2)=CC1=O	REAL300019942220	0	39	-2.0	-107.42	336.02	1.59	-105.83
CC(C)CN1[N-]C(CC(=O)NC2(C3=NN=N[N-]3)CC2)=CC1=O	REAL300019942220	1	39	-2.0	-107.41	336.10	1.60	-105.81
CC1=CC(C(F)(F)C(=O)[N-]C2(C3=N[N-]N=N3)CC2)=CN=C1Cl	REAL300019942255	1	31	-2.0	-101.75	304.80	0.99	-100.76
COC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019942268	0	33	-2.0	-92.93	305.71	2.19	-90.74
COC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019942268	1	33	-2.0	-92.93	305.78	2.19	-90.74
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300019942299	1	28	-2.0	-99.54	286.28	0.43	-99.11
COC(=O)C1=CC2=C(C=C(C(=O)NC3(C4=N[N-]N=N4)CC3)O2)[N-]1	REAL300019942374	1	33	-2.0	-92.62	311.90	0.75	-91.87
COC(=O)C1=CC2=C(C=C(C(=O)NC3(C4=NN=N[N-]4)CC3)O2)[N-]1	REAL300019942374	1	33	-2.0	-92.65	312.00	0.75	-91.90
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=CC(Br)=C1	REAL300019942384	1	29	-2.0	-105.25	295.46	2.38	-102.87
CC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019942652	0	32	-2.0	-88.29	295.54	3.07	-85.22
CC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019942652	1	32	-2.0	-88.23	295.61	3.10	-85.13
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300019942655	0	26	-2.0	-96.20	275.60	-1.28	-97.48
O=C([N-]C1(C2=NN=N[N-]2)CC1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300019942655	1	26	-2.0	-96.18	275.64	-1.30	-97.48
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C(Br)[N-]N=C1Br	REAL300019942677	1	23	-2.0	-88.10	266.07	-0.19	-88.29
O=C(NC1(C2=NN=N[N-]2)CC1)C1=C(Br)[N-]N=C1Br	REAL300019942677	1	23	-2.0	-88.14	266.14	-0.18	-88.32
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=C(F)C=C1F	REAL300019942728	0	29	-2.0	-107.23	285.23	1.83	-105.40
NC1=NC(C(F)(F)C(=O)[N-]C2(C3=N[N-]N=N3)CC2)=CS1	REAL300019942824	1	27	-2.0	-113.13	273.62	-1.58	-114.71
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300019942978	0	37	-2.0	-84.49	345.50	3.36	-81.13
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300019942978	1	37	-2.0	-84.48	345.59	3.37	-81.11
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CSC=C1Br	REAL300019943053	1	26	-2.0	-107.58	281.94	1.24	-106.34
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C1(C2=N[N-]N=N2)CC1	REAL300019943083	1	32	-2.0	-105.75	295.02	2.20	-103.55
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019944242	0	42	-2.0	-92.97	353.65	-0.81	-93.78
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019944242	1	42	-2.0	-92.97	353.71	-0.80	-93.77
CCOC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC(Cl)=C1[O-]	REAL300019944305	1	42	-2.0	-89.97	356.91	1.44	-88.53
CCOC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC(Cl)=C1[O-]	REAL300019944305	1	42	-2.0	-89.95	356.97	1.44	-88.51
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019944601	0	42	-2.0	-87.07	361.39	-0.70	-87.77
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019944601	1	42	-2.0	-87.03	361.45	-0.70	-87.73
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019945132	0	45	-2.0	-92.52	376.36	-0.10	-92.62
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019945132	1	45	-2.0	-92.48	376.42	-0.10	-92.58
CSC1=NC(C)=C(CCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019945153	1	46	-2.0	-94.18	385.46	0.41	-93.77
CSC1=NC(C)=C(CCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019945153	1	46	-2.0	-94.19	385.52	0.42	-93.77
CN1C(=O)C2=CC=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C2[N-]C1=S	REAL300019945267	0	43	-2.0	-77.25	364.25	2.16	-75.09
CN1C(=O)C2=CC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C2[N-]C1=S	REAL300019945267	1	43	-2.0	-77.26	364.31	2.16	-75.10
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019945291	1	41	-2.0	-97.64	365.74	3.62	-94.02
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019945291	1	41	-2.0	-97.63	365.80	3.62	-94.01
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019945342	1	47	-2.0	-95.54	395.23	5.47	-90.07
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019945342	1	47	-2.0	-95.53	395.29	5.47	-90.06
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019945343	0	43	-2.0	-92.58	367.71	3.04	-89.54
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019945343	1	43	-2.0	-92.55	367.77	3.04	-89.51
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019945413	1	47	-2.0	-99.62	394.55	5.12	-94.50
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019945413	1	47	-2.0	-99.60	394.61	5.13	-94.47
O=C(C1=CC(Br)=CC=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019945451	1	35	-2.0	-93.30	312.06	1.71	-91.59
O=C(C1=CC(Br)=CC=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019945451	1	35	-2.0	-93.26	312.12	1.72	-91.54
O=C(C1=CC(Cl)=CC=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019945452	1	35	-2.0	-93.37	307.50	1.62	-91.75
O=C(C1=CC(Cl)=CC=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019945452	1	35	-2.0	-93.36	307.56	1.62	-91.74
O=C(C1=CC=C(Cl)C=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019945461	1	35	-2.0	-92.60	309.09	1.14	-91.46
O=C(C1=CC=C(Cl)C=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019945461	1	35	-2.0	-92.63	309.15	1.15	-91.48
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019945462	0	35	-2.0	-83.65	305.52	0.70	-82.95
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019945462	1	35	-2.0	-83.70	305.58	0.72	-82.98
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019945468	1	41	-2.0	-102.84	335.11	3.59	-99.25
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019945468	1	41	-2.0	-102.80	335.17	3.59	-99.21
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019945470	0	37	-2.0	-86.97	315.53	1.92	-85.05
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019945470	1	37	-2.0	-87.01	315.59	1.94	-85.07
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019945665	0	42	-2.0	-83.67	348.64	-2.50	-86.17
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019945665	1	42	-2.0	-83.70	348.70	-2.49	-86.19
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019945977	0	48	-2.0	-94.82	396.61	0.87	-93.95
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019945977	1	48	-2.0	-94.81	396.67	0.87	-93.94
NC1=NC([O-])=C(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)S1	REAL300019946197	0	36	-2.0	-100.97	315.72	-3.91	-104.88
NC1=NC([O-])=C(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)S1	REAL300019946197	1	36	-2.0	-100.92	315.78	-3.91	-104.83
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019946310	0	45	-2.0	-94.40	375.11	0.08	-94.32
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019946310	1	45	-2.0	-94.40	375.17	0.08	-94.32
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019946373	1	40	-2.0	-93.46	334.99	-1.11	-94.57
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019946373	1	40	-2.0	-93.44	335.06	-1.10	-94.54
CC1=C(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019946399	0	47	-2.0	-105.35	393.50	-0.01	-105.36
CC1=C(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300019946399	1	47	-2.0	-105.39	393.56	0.00	-105.39
O=C(CCC(=O)N1CCN(CC2=N[N-]N=N2)CC1)[N-]C1=NN=C(C2CC2)O1	REAL300019946565	0	46	-2.0	-93.75	384.51	-4.07	-97.82
O=C(CCC(=O)N1CCN(CC2=NN=N[N-]2)CC1)[N-]C1=NN=C(C2CC2)O1	REAL300019946565	1	46	-2.0	-93.80	384.57	-4.07	-97.87
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019946710	0	39	-2.0	-86.54	333.61	-0.53	-87.07
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019946710	1	39	-2.0	-86.55	333.68	-0.53	-87.08
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019946882	1	44	-2.0	-97.93	366.50	-0.73	-98.66
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019946882	1	44	-2.0	-97.94	366.56	-0.73	-98.67
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)O1	REAL300019947051	1	43	-2.0	-96.90	379.79	-6.51	-103.41
CC1=CC=C(N2[N-]C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CC2=O)C=C1	REAL300019947061	0	45	-2.0	-87.09	368.76	3.20	-83.89
CC1=CC=C(N2[N-]C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CC2=O)C=C1	REAL300019947061	1	45	-2.0	-87.12	368.82	3.21	-83.91
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947087	0	37	-2.0	-85.34	322.84	-0.76	-86.10
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947087	1	37	-2.0	-85.36	322.91	-0.76	-86.12
CCN1[N-]C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC1=O	REAL300019947101	0	38	-2.0	-84.44	315.51	-0.10	-84.54
CCN1[N-]C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC1=O	REAL300019947101	1	38	-2.0	-84.46	315.57	-0.10	-84.56
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019947201	0	43	-2.0	-99.60	364.49	-0.25	-99.85
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019947201	1	43	-2.0	-99.58	364.55	-0.25	-99.83
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=N2)C=C1	REAL300019947205	0	46	-2.0	-104.27	378.41	1.35	-102.92
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=N2)C=C1	REAL300019947205	1	46	-2.0	-104.27	378.47	1.36	-102.91
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947206	0	42	-2.0	-100.78	355.34	2.12	-98.66
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947206	1	42	-2.0	-100.81	355.40	2.12	-98.69
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CC2=O)=N1	REAL300019947207	0	46	-2.0	-99.11	384.62	3.62	-95.49
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CC2=O)=N1	REAL300019947207	1	46	-2.0	-99.12	384.68	3.62	-95.50
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947208	0	42	-2.0	-108.38	352.53	2.19	-106.19
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947208	1	42	-2.0	-108.42	352.59	2.19	-106.23
O=C(CSC1=N[N-]C(=S)S1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947303	0	34	-2.0	-81.36	328.89	0.20	-81.16
O=C(CSC1=N[N-]C(=S)S1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947303	1	34	-2.0	-81.36	328.95	0.21	-81.15
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=N1	REAL300019947337	0	45	-2.0	-100.83	377.06	2.75	-98.08
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL300019947337	1	45	-2.0	-100.86	377.12	2.76	-98.10
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=N2)C=C1	REAL300019947456	0	51	-2.0	-104.13	409.12	3.97	-100.16
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=N2)C=C1	REAL300019947456	1	51	-2.0	-104.15	409.18	3.97	-100.18
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947538	0	37	-2.0	-83.42	318.03	0.50	-82.92
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947538	1	37	-2.0	-83.45	318.10	0.50	-82.95
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)S1	REAL300019947587	0	48	-2.0	-91.54	404.91	0.39	-91.15
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)S1	REAL300019947587	1	48	-2.0	-91.56	404.97	0.40	-91.16
O=C(C1=NNC(=O)[N-]C1=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947632	0	33	-2.0	-86.14	283.98	-5.10	-91.24
O=C(C1=NNC(=O)[N-]C1=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947632	1	33	-2.0	-86.09	284.04	-5.09	-91.18
O=C(C1=CC=CC(Br)=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947647	0	35	-2.0	-92.30	311.62	1.24	-91.06
O=C(C1=CC=CC(Br)=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947647	1	35	-2.0	-92.28	311.68	1.24	-91.04
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947661	0	37	-2.0	-96.98	317.09	2.37	-94.61
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947661	1	37	-2.0	-97.02	317.15	2.37	-94.65
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947730	0	37	-2.0	-85.50	318.95	1.76	-83.74
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947730	1	37	-2.0	-85.53	319.01	1.77	-83.76
O=C(C1=CC=C(Br)C=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947731	1	35	-2.0	-92.65	313.66	1.26	-91.39
O=C(C1=CC=C(Br)C=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947731	1	35	-2.0	-92.62	313.72	1.26	-91.36
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947734	0	41	-2.0	-96.34	350.41	3.45	-92.89
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947734	1	41	-2.0	-96.38	350.47	3.45	-92.93
O=C(C1=C([O-])C=CC=C1Cl)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947746	1	35	-2.0	-93.39	311.04	0.86	-92.53
O=C(C1=C([O-])C=CC=C1Cl)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947746	1	35	-2.0	-93.44	311.10	0.87	-92.57
O=C(C1=CC=CC(Cl)=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947996	0	35	-2.0	-93.26	307.23	1.13	-92.13
O=C(C1=CC=CC(Cl)=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947996	1	35	-2.0	-93.24	307.29	1.13	-92.11
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948046	1	38	-2.0	-91.19	331.03	1.65	-89.54
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948046	1	38	-2.0	-91.18	331.09	1.66	-89.52
O=C(C1=CC=C([O-])C=C1F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948050	1	35	-2.0	-85.50	299.03	0.33	-85.17
O=C(C1=CC=C([O-])C=C1F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948050	1	35	-2.0	-85.53	299.09	0.33	-85.20
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949225	1	40	-2.0	-104.44	331.18	2.73	-101.71
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949225	1	40	-2.0	-104.49	331.24	2.74	-101.75
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949410	0	42	-2.0	-102.64	365.97	2.61	-100.03
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949410	1	42	-2.0	-102.65	366.03	2.61	-100.04
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949411	0	42	-2.0	-100.54	357.94	1.77	-98.77
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949411	1	42	-2.0	-100.56	358.00	1.78	-98.78
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949636	0	42	-2.0	-105.20	348.93	2.06	-103.14
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949636	1	42	-2.0	-105.21	348.99	2.06	-103.15
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019949742	0	40	-2.0	-95.30	345.36	-4.49	-99.79
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019949742	1	40	-2.0	-95.21	345.43	-4.48	-99.69
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949863	0	38	-2.0	-93.32	329.82	1.71	-91.61
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949863	1	38	-2.0	-93.30	329.88	1.71	-91.59
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949867	0	40	-2.0	-87.62	339.06	-0.42	-88.04
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949867	1	40	-2.0	-87.63	339.12	-0.42	-88.05
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949951	0	37	-2.0	-90.01	335.09	2.88	-87.13
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949951	1	37	-2.0	-90.00	335.15	2.89	-87.11
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949983	1	40	-2.0	-108.92	331.91	1.22	-107.70
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949983	1	40	-2.0	-108.90	331.97	1.22	-107.68
O=C(CCCC1=N[N-]N=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950009	0	38	-2.0	-85.15	315.53	-0.85	-86.00
O=C(CCCC1=N[N-]N=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950009	1	38	-2.0	-85.17	315.47	-0.86	-86.03
O=C(CCCC1=NN=N[N-]1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950009	1	38	-2.0	-85.21	315.53	-0.84	-86.05
O=C(CCCC1=NN=N[N-]1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950009	1	38	-2.0	-85.23	315.59	-0.84	-86.07
O=C(C1=NC=C(Br)C=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951278	0	34	-2.0	-93.61	306.14	0.63	-92.98
O=C(C1=NC=C(Br)C=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951278	1	34	-2.0	-93.64	306.20	0.63	-93.01
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=C2)O1	REAL300019951447	1	44	-2.0	-96.63	374.39	2.25	-94.38
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=C2)O1	REAL300019951447	1	44	-2.0	-96.61	374.45	2.26	-94.35
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951482	0	39	-2.0	-84.86	359.31	0.80	-84.06
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951482	1	39	-2.0	-84.92	359.37	0.81	-84.11
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951501	0	35	-2.0	-88.02	325.13	1.68	-86.34
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951501	1	35	-2.0	-88.01	325.19	1.68	-86.33
CC1=CC(C=O)=C([O-])C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019951510	1	40	-2.0	-89.93	335.83	1.11	-88.82
CC1=CC(C=O)=C([O-])C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019951510	1	40	-2.0	-89.94	335.89	1.12	-88.82
CC(C)CN1[N-]C(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC1=O	REAL300019951622	0	47	-2.0	-91.29	377.02	1.58	-89.71
CC(C)CN1[N-]C(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC1=O	REAL300019951622	1	47	-2.0	-91.33	377.08	1.59	-89.74
COC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019951691	0	41	-2.0	-90.86	345.06	1.47	-89.39
COC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019951691	1	41	-2.0	-90.91	345.12	1.47	-89.44
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951692	0	35	-2.0	-93.36	313.51	1.20	-92.16
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951692	1	35	-2.0	-93.33	313.57	1.20	-92.13
O=C(C1=CC=C(F)C([O-])=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951734	1	35	-2.0	-90.61	295.77	0.18	-90.43
O=C(C1=CC=C(F)C([O-])=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951734	1	35	-2.0	-90.60	295.83	0.19	-90.41
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951738	0	35	-2.0	-87.10	305.57	0.67	-86.43
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951738	1	35	-2.0	-87.14	305.63	0.69	-86.45
COC(=O)C1=CC2=C(C=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)O2)[N-]1	REAL300019951861	1	41	-2.0	-79.92	349.61	0.79	-79.13
COC(=O)C1=CC2=C(C=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)O2)[N-]1	REAL300019951861	1	41	-2.0	-79.96	349.67	0.80	-79.16
O=C(C1=CC=CC(F)=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951891	0	35	-2.0	-97.84	297.43	0.64	-97.20
O=C(C1=CC=CC(F)=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951891	1	35	-2.0	-97.81	297.49	0.65	-97.16
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951918	0	35	-2.0	-90.65	305.02	0.77	-89.88
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951918	1	35	-2.0	-90.67	305.08	0.77	-89.90
COCC1=NC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019952176	1	40	-2.0	-91.78	331.21	-2.79	-94.57
COCC1=NC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019952176	1	40	-2.0	-91.82	331.28	-2.78	-94.60
CC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019952312	0	40	-2.0	-87.94	335.92	2.37	-85.57
CC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300019952312	1	40	-2.0	-87.95	335.98	2.38	-85.57
O=C(C1=CC=C(F)C([O-])=C1F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019952317	0	35	-2.0	-93.26	303.87	0.33	-92.93
O=C(C1=CC=C(F)C([O-])=C1F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952317	1	35	-2.0	-93.30	303.93	0.33	-92.97
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019952330	0	38	-2.0	-85.35	326.24	1.47	-83.88
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952330	1	38	-2.0	-85.36	326.30	1.47	-83.89
N#CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019952506	0	35	-2.0	-86.30	304.52	-1.50	-87.80
N#CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019952506	1	35	-2.0	-86.27	304.58	-1.50	-87.77
CN1C(=S)[N-]N=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019952889	1	34	-2.0	-84.85	294.56	1.36	-83.49
CN1C(=S)[N-]N=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952889	1	34	-2.0	-84.89	294.62	1.36	-83.53
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019952913	0	43	-2.0	-106.90	348.52	-3.96	-110.86
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952913	1	43	-2.0	-106.94	348.59	-3.95	-110.89
CC(C)(C)OC(=O)N(CCO)[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019954275	0	42	-2.0	-87.64	353.66	-0.75	-88.39
CC(C)(C)OC(=O)N(CCO)[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019954275	1	42	-2.0	-87.66	353.72	-0.73	-88.39
CC(C)N([N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC(C)(C)C	REAL300019954278	0	44	-2.0	-88.91	368.85	3.67	-85.24
CC(C)N([N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC(C)(C)C	REAL300019954278	1	44	-2.0	-88.93	368.91	3.69	-85.24
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=CC(=O)[N-]2)C(F)=C1	REAL300019954291	0	36	-2.0	-112.74	327.53	2.12	-110.62
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=CC(=O)[N-]2)C(F)=C1	REAL300019954291	1	36	-2.0	-112.72	327.59	2.13	-110.59
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C(F)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019954292	0	39	-2.0	-121.39	352.54	4.97	-116.42
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C(F)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019954292	1	39	-2.0	-121.23	352.59	4.99	-116.24
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C(F)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019954293	0	36	-2.0	-90.30	338.96	1.87	-88.43
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C(F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019954293	1	36	-2.0	-87.71	338.73	1.89	-85.82
CCN([N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC(C)(C)C	REAL300019954369	0	41	-2.0	-85.65	345.47	1.92	-83.73
CCN([N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC(C)(C)C	REAL300019954369	1	41	-2.0	-85.59	345.54	1.93	-83.66
O=C([N-]NC(=O)NC1=CC=CC2=CC=CC=C21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019954818	0	40	-2.0	-87.75	357.89	3.11	-84.64
O=C([N-]NC(=O)NC1=CC=CC2=CC=CC=C21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019954818	1	40	-2.0	-87.75	357.96	3.11	-84.64
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019954840	0	40	-2.0	-94.88	348.33	-0.62	-95.50
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019954840	1	40	-2.0	-94.85	348.40	-0.61	-95.46
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NNC2=CC=CC=C21	REAL300019954841	0	35	-2.0	-106.33	318.83	0.13	-106.20
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NNC2=CC=CC=C21	REAL300019954841	1	35	-2.0	-106.36	318.89	0.14	-106.22
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NNC2=CC=CC=C21	REAL300019954842	0	38	-2.0	-117.61	343.21	2.98	-114.63
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NNC2=CC=CC=C21	REAL300019954842	1	38	-2.0	-117.47	343.31	3.01	-114.46
O=C([N-]NC(=O)C1=C2C=CC=CC2=NN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019954843	0	35	-2.0	-93.01	328.03	-0.12	-93.13
O=C([N-]NC(=O)C1=C2C=CC=CC2=NN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019954843	1	35	-2.0	-92.99	328.10	-0.12	-93.11
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019954905	1	41	-2.0	-99.13	347.77	1.97	-97.16
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019954905	1	41	-2.0	-99.22	347.83	1.98	-97.24
C[C@@H]1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019954906	1	44	-2.0	-117.72	369.89	4.54	-113.18
C[C@@H]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019954906	1	44	-2.0	-116.87	369.69	4.47	-112.40
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019954907	0	41	-2.0	-81.73	356.01	2.18	-79.55
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019954907	1	41	-2.0	-81.69	356.07	2.20	-79.49
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1[N-]C(=O)C(F)(F)F	REAL300019954961	1	41	-2.0	-99.20	347.92	1.99	-97.21
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1[N-]C(=O)C(F)(F)F	REAL300019954961	1	41	-2.0	-99.19	347.98	2.00	-97.19
CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1[N-]C(=O)C(F)(F)F	REAL300019954962	1	44	-2.0	-110.43	373.39	4.20	-106.23
CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1[N-]C(=O)C(F)(F)F	REAL300019954962	1	44	-2.0	-111.54	373.25	4.12	-107.42
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1[N-]C(=O)C(F)(F)F	REAL300019954963	0	41	-2.0	-81.75	355.96	2.17	-79.58
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1[N-]C(=O)C(F)(F)F	REAL300019954963	1	41	-2.0	-81.73	356.03	2.18	-79.55
O=C(CCCC1=N[N-]N=N1)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300019955254	1	31	-2.0	-82.33	294.22	0.08	-82.25
O=C(CCCC1=NN=N[N-]1)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300019955254	1	31	-2.0	-82.36	294.28	0.10	-82.26
O=C(NCC([O-])(C(F)(F)F)C(F)(F)F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019955255	1	34	-2.0	-90.20	318.97	2.97	-87.23
O=C(NCC([O-])(C(F)(F)F)C(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019955256	1	31	-2.0	-75.77	305.02	-0.05	-75.82
O=C(NCC([O-])(C(F)(F)F)C(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019955256	1	31	-2.0	-75.74	305.08	-0.03	-75.77
O=C(NC1=CC=C(F)C([O-])=C1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019955465	0	32	-2.0	-97.96	295.92	4.37	-93.59
O=C(NC1=CC=C(F)C([O-])=C1F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019955465	1	32	-2.0	-97.74	296.02	4.38	-93.36
O=C(NC1=CC=C(F)C([O-])=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019955466	0	29	-2.0	-83.85	282.98	1.25	-82.60
O=C(NC1=CC=C(F)C([O-])=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019955466	1	29	-2.0	-83.82	283.04	1.26	-82.56
CNC(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019955705	1	36	-2.0	-99.88	315.35	-0.30	-100.18
CNC(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019955705	1	36	-2.0	-99.86	315.41	-0.29	-100.15
CNC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019955707	1	36	-2.0	-90.80	326.76	-0.51	-91.31
CNC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019955707	1	36	-2.0	-90.77	326.83	-0.50	-91.27
O=C(CCCC1=N[N-]N=N1)NC1=CC(C(F)(F)F)=C(F)C=C1[O-]	REAL300019955710	1	32	-2.0	-83.54	304.04	2.44	-81.10
O=C(CCCC1=NN=N[N-]1)NC1=CC(C(F)(F)F)=C(F)C=C1[O-]	REAL300019955710	1	32	-2.0	-83.57	304.10	2.45	-81.12
O=C(NC1=CC(C(F)(F)F)=C(F)C=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019955711	1	35	-2.0	-90.98	327.57	5.38	-85.60
O=C(NC1=CC(C(F)(F)F)=C(F)C=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019955712	1	32	-2.0	-75.44	314.62	2.23	-73.21
O=C(NC1=CC(C(F)(F)F)=C(F)C=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019955712	1	32	-2.0	-75.43	314.68	2.24	-73.19
O=C(CCN1C=CN=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019955716	0	35	-2.0	-89.29	327.47	1.44	-87.85
O=C(CCN1C=CN=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019955716	1	35	-2.0	-89.31	327.54	1.44	-87.87
C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019955902	1	41	-2.0	-81.39	344.05	1.37	-80.02
C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019955904	1	41	-2.0	-76.70	352.33	1.52	-75.18
C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019955904	1	41	-2.0	-76.71	352.39	1.52	-75.19
CC1CC([N-]C(=O)C(F)(F)F)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019956115	1	41	-2.0	-81.10	344.16	1.34	-79.76
CC1CC([N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019956117	1	41	-2.0	-77.47	352.36	1.51	-75.96
CC1CC([N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019956117	1	41	-2.0	-77.48	352.43	1.52	-75.96
CCOC(=O)C1=C(Cl)N=C(NC(=O)CCCC2=N[N-]N=N2)[N-]1	REAL300019956179	0	34	-2.0	-93.98	323.36	4.19	-89.79
CCOC(=O)C1=C(Cl)[N-]C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL300019956179	1	34	-2.0	-94.71	324.25	4.22	-90.49
CCOC(=O)C1=C(Cl)N=C(NC(=O)CCCC2=NN=N[N-]2)[N-]1	REAL300019956179	1	34	-2.0	-94.01	323.42	4.21	-89.80
CCOC(=O)C1=C(Cl)[N-]C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL300019956179	1	34	-2.0	-94.71	324.31	4.24	-90.47
CCOC(=O)C1=C(Cl)N=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[N-]1	REAL300019956180	0	34	-2.0	-79.62	333.93	3.98	-75.64
CCOC(=O)C1=C(Cl)N=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N-]1	REAL300019956180	1	34	-2.0	-79.61	334.00	3.99	-75.62
CCOC(=O)C1=C(Cl)[N-]C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300019956180	1	34	-2.0	-80.13	334.88	4.02	-76.11
CCOC(=O)C1=C(Cl)[N-]C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019956180	1	34	-2.0	-80.15	334.81	4.02	-76.13
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NOC2=C1COCC2	REAL300019956249	0	36	-2.0	-103.16	321.70	-0.94	-104.10
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NOC2=C1COCC2	REAL300019956249	1	36	-2.0	-103.19	321.76	-0.93	-104.12
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NOC2=C1COCC2	REAL300019956250	0	39	-2.0	-114.57	346.05	1.93	-112.64
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NOC2=C1COCC2	REAL300019956250	1	39	-2.0	-114.17	346.52	1.92	-112.25
O=C([N-]NC(=O)C1=NOC2=C1COCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019956251	0	36	-2.0	-96.19	332.77	-1.22	-97.41
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NOC2=C1COCC2	REAL300019956251	1	36	-2.0	-93.94	332.36	-1.15	-95.09
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NOC2=C1COCC2	REAL300019956251	1	36	-2.0	-93.98	332.30	-1.17	-95.15
N#CC1=CC2=C(CCN(C(=O)CCCC3=N[N-]N=N3)C2)[N-]C1=O	REAL300019956467	0	36	-2.0	-89.74	317.52	1.95	-87.79
N#CC1=CC2=C(CCN(C(=O)CCCC3=NN=N[N-]3)C2)[N-]C1=O	REAL300019956467	1	36	-2.0	-89.72	317.58	1.96	-87.76
N#CC1=CC2=C(CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)[N-]C1=O	REAL300019956468	0	39	-2.0	-85.06	339.62	4.45	-80.61
N#CC1=CC2=C(CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)[N-]C1=O	REAL300019956468	1	39	-2.0	-84.92	339.71	4.47	-80.45
N#CC1=CC2=C(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)[N-]C1=O	REAL300019956469	0	36	-2.0	-81.22	324.89	2.20	-79.02
N#CC1=CC2=C(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)[N-]C1=O	REAL300019956469	1	36	-2.0	-81.14	324.96	2.21	-78.93
O=C(NC1=C([O-])C=C(F)C=C1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019956533	0	32	-2.0	-101.02	300.71	4.38	-96.64
O=C(NC1=C([O-])C=C(F)C=C1F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019956533	1	32	-2.0	-100.86	300.60	4.40	-96.46
O=C(NC1=C([O-])C=C(F)C=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019956534	0	29	-2.0	-82.36	288.01	1.34	-81.02
O=C(NC1=C([O-])C=C(F)C=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019956534	1	29	-2.0	-82.39	288.08	1.35	-81.04
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019957046	1	44	-2.0	-93.70	363.65	3.07	-90.63
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019957046	1	44	-2.0	-93.72	363.71	3.09	-90.63
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019957047	0	44	-2.0	-78.11	371.50	3.31	-74.80
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300019957047	1	44	-2.0	-78.13	371.57	3.33	-74.80
CC(C)(C)OC(=O)N(CCF)[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019957106	0	41	-2.0	-82.82	352.06	2.05	-80.77
CC(C)(C)OC(=O)N(CCF)[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019957106	1	41	-2.0	-82.79	352.13	2.06	-80.73
O=C([N-]C1=NC(C2CC2)=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019957254	0	30	-2.0	-83.42	293.69	1.91	-81.51
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1[N-]C(=O)C(F)(F)F	REAL300019957464	1	41	-2.0	-82.02	349.17	1.59	-80.43
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1[N-]C(=O)C(F)(F)F	REAL300019957466	1	41	-2.0	-76.10	354.84	2.35	-73.75
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1[N-]C(=O)C(F)(F)F	REAL300019957466	1	41	-2.0	-76.05	354.92	2.37	-73.68
O=C(CC1=C(F)C=CC=C1F)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019957581	0	35	-2.0	-96.23	336.22	1.92	-94.31
O=C(CC1=C(F)C=CC=C1F)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019957581	1	35	-2.0	-96.23	336.29	1.92	-94.31
O=C([N-]C1=NN=C(C2CCC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019957647	0	33	-2.0	-89.55	313.09	2.30	-87.25
CN(CC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958026	0	34	-2.0	-112.05	299.78	1.42	-110.63
CN(CC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019958026	1	34	-2.0	-111.85	299.88	1.45	-110.40
CN(CC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958027	0	31	-2.0	-83.11	285.66	-0.68	-83.79
CN(CC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958027	1	31	-2.0	-83.09	285.73	-0.65	-83.74
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL300019958031	0	38	-2.0	-97.53	318.96	2.21	-95.32
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL300019958031	1	38	-2.0	-97.51	319.01	2.23	-95.28
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL300019958032	0	41	-2.0	-106.35	342.36	4.80	-101.55
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL300019958032	1	41	-2.0	-108.14	342.36	4.76	-103.38
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL300019958033	0	38	-2.0	-86.58	326.70	2.49	-84.09
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL300019958033	1	38	-2.0	-86.59	326.77	2.49	-84.10
O=C(CCCC1=N[N-]N=N1)NC1=CC(Br)=CC(C(F)(F)F)=C1[O-]	REAL300019958168	0	32	-2.0	-84.18	318.50	3.08	-81.10
O=C(CCCC1=NN=N[N-]1)NC1=CC(Br)=CC(C(F)(F)F)=C1[O-]	REAL300019958168	1	32	-2.0	-84.19	318.55	3.10	-81.09
O=C(CCCC1=N[N-]N=N1)NC1=C([O-])C=CC(Br)=C1F	REAL300019958190	1	29	-2.0	-94.57	291.58	2.08	-92.49
O=C(CCCC1=NN=N[N-]1)NC1=C([O-])C=CC(Br)=C1F	REAL300019958190	1	29	-2.0	-94.61	291.64	2.09	-92.52
O=C(NC1=C([O-])C=CC(Br)=C1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958191	1	32	-2.0	-98.95	308.47	4.95	-94.00
O=C(NC1=C([O-])C=CC(Br)=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958192	1	29	-2.0	-83.88	302.17	1.87	-82.01
O=C(NC1=C([O-])C=CC(Br)=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958192	1	29	-2.0	-83.85	302.24	1.88	-81.97
COCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019959275	0	30	-2.0	-88.86	298.77	-0.76	-89.62
O=C(CCCC1=N[N-]N=N1)N1CC([N-]C(=O)C(F)(F)F)C1	REAL300019960473	0	32	-2.0	-79.92	303.89	-0.80	-80.72
O=C(CCCC1=NN=N[N-]1)N1CC([N-]C(=O)C(F)(F)F)C1	REAL300019960473	1	32	-2.0	-79.93	303.95	-0.78	-80.71
O=C([N-]C1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1)C(F)(F)F	REAL300019960474	0	35	-2.0	-87.25	324.66	1.65	-85.60
O=C([N-]C1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1)C(F)(F)F	REAL300019960474	1	35	-2.0	-86.91	323.96	1.71	-85.20
O=C([N-]C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1)C(F)(F)F	REAL300019960475	0	32	-2.0	-75.51	311.76	-0.77	-76.28
O=C([N-]C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1)C(F)(F)F	REAL300019960475	1	32	-2.0	-75.48	311.82	-0.77	-76.25
O=C([N-]NC(=O)C1=CC2=CC=CC=C2N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019960536	0	36	-2.0	-93.29	334.73	1.13	-92.16
O=C([N-]NC(=O)C1=CC2=CC=CC=C2N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019960536	1	36	-2.0	-93.27	334.79	1.13	-92.14
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019960842	0	38	-2.0	-104.75	340.78	0.12	-104.63
CCOC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(Cl)=C1[O-]	REAL300019960891	1	38	-2.0	-93.15	347.42	2.58	-90.57
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019961167	0	38	-2.0	-97.36	347.18	0.19	-97.17
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=C([N-]C=NC2=O)O1	REAL300019961291	0	35	-2.0	-87.19	322.67	-1.44	-88.63
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019961645	1	41	-2.0	-105.03	362.16	0.80	-104.23
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)[N-]1	REAL300019961662	1	42	-2.0	-90.14	374.13	1.13	-89.01
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2[N-]C1=S	REAL300019961762	0	39	-2.0	-94.42	353.81	3.40	-91.02
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019961826	0	39	-2.0	-103.94	357.48	3.86	-100.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019961916	1	37	-2.0	-119.97	324.27	4.77	-115.20
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Br)=CC=C1[O-]	REAL300019961919	1	31	-2.0	-106.66	299.52	3.12	-103.54
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019961920	0	31	-2.0	-106.68	294.96	3.01	-103.67
COC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C([O-])=C1	REAL300019961928	1	35	-2.0	-114.12	307.63	1.81	-112.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019961929	0	31	-2.0	-109.81	294.96	3.02	-106.79
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019961930	0	31	-2.0	-89.09	296.37	1.54	-87.55
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019961936	1	37	-2.0	-117.11	323.18	4.84	-112.27
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019961938	0	33	-2.0	-87.71	306.37	2.75	-84.96
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019962051	1	35	-2.0	-84.90	332.92	-3.17	-88.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C[N-]C2=CC=CC=C2C1=O	REAL300019962077	0	36	-2.0	-90.34	318.83	2.74	-87.60
CC(=O)[N-]C1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300019962080	1	33	-2.0	-84.44	313.24	-0.97	-85.41
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300019962116	0	38	-2.0	-94.35	338.32	-1.70	-96.05
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300019962259	1	42	-2.0	-110.13	374.68	1.24	-108.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019962357	1	30	-2.0	-81.31	287.92	2.03	-79.28
CN1C2=NC(CCC(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=NC2=C([O-])NC1=O	REAL300019962605	0	42	-2.0	-79.94	371.40	-0.94	-80.88
CN1C2=C(N=C(CCC(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)[N-]2)C(=O)NC1=O	REAL300019962605	1	42	-2.0	-79.12	371.50	-0.18	-79.30
CN1C2=C([N-]C(CCC(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=N2)C(=O)NC1=O	REAL300019962605	1	42	-2.0	-79.34	371.20	-0.28	-79.62
NC1=NC([O-])=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300019962617	0	32	-2.0	-111.00	304.46	-3.50	-114.50
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019962721	1	41	-2.0	-106.36	362.25	1.02	-105.34
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019962784	1	36	-2.0	-91.14	324.76	-0.34	-91.48
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019962940	1	42	-2.0	-102.91	360.97	0.93	-101.98
O=C(CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[N-]C1=NN=C(C2CC2)O1	REAL300019962960	0	42	-2.0	-89.75	374.27	-3.30	-93.05
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=N[N-]C2=CC=CC=C2C1=O	REAL300019963074	0	35	-2.0	-101.12	316.95	2.71	-98.41
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019963092	0	35	-2.0	-104.29	322.35	-0.06	-104.35
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019963255	1	40	-2.0	-100.52	356.28	0.04	-100.48
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC2=O)C=C1	REAL300019963427	0	41	-2.0	-96.89	361.17	3.39	-93.50
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300019963453	0	33	-2.0	-95.91	313.42	0.37	-95.54
CCN1[N-]C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC1=O	REAL300019963465	0	34	-2.0	-93.50	307.66	0.11	-93.39
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019963560	0	39	-2.0	-91.93	344.85	0.71	-91.22
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300019963561	1	44	-2.0	-88.78	364.61	1.64	-87.14
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)[N-]C(C(C)C)=N1	REAL300019963562	1	41	-2.0	-88.15	345.27	1.03	-87.12
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=N2)C=C1	REAL300019963564	0	42	-2.0	-115.92	370.35	1.58	-114.34
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019963565	0	38	-2.0	-112.44	347.28	2.35	-110.09
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC2=O)=N1	REAL300019963566	0	42	-2.0	-104.46	376.68	3.78	-100.68
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019963567	0	38	-2.0	-120.20	345.65	2.42	-117.78
CC1=CC(F)=CC2=C1[N-]C=C(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2=O	REAL300019963568	0	39	-2.0	-86.14	345.21	3.68	-82.46
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019963659	0	30	-2.0	-87.52	318.95	0.93	-86.59
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300019963693	0	41	-2.0	-113.89	368.83	3.29	-110.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019963890	0	33	-2.0	-84.40	308.34	1.62	-82.78
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC(=O)[N-]C1=O	REAL300019963981	0	29	-2.0	-96.99	274.96	-4.71	-101.70
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(Br)=C1[O-]	REAL300019963995	0	31	-2.0	-109.83	298.65	3.14	-106.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019964010	0	33	-2.0	-118.33	304.26	3.75	-114.58
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CO1	REAL300019964061	1	35	-2.0	-99.98	332.37	-3.20	-103.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(O)C=C1[O-]	REAL300019964076	1	32	-2.0	-114.76	289.21	-0.33	-115.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(F)=CC=C1[O-]	REAL300019964077	1	31	-2.0	-105.77	284.64	2.56	-103.21
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300019964078	0	33	-2.0	-97.40	306.41	3.17	-94.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Br)C=C1[O-]	REAL300019964079	0	31	-2.0	-109.68	299.54	3.12	-106.56
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019964082	0	37	-2.0	-109.39	337.44	5.25	-104.14
CC(C)C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C([O-])=C1	REAL300019964085	1	40	-2.0	-117.39	338.38	4.41	-112.98
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C=CC=C1Cl	REAL300019964094	0	31	-2.0	-88.08	299.33	1.32	-86.76
CC1=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL300019964191	1	31	-2.0	-112.71	284.55	-1.87	-114.58
CC1=C([O-])C(C(=O)NC2=CC=CC(N3[N-]N=NC3=O)=C2)=NN1	REAL300019964191	1	31	-2.0	-113.63	284.48	-1.75	-115.38
CS(=O)(=O)NC1=CC=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019964221	1	39	-2.0	-115.49	351.60	-0.79	-116.28
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019964341	0	31	-2.0	-110.87	294.26	3.03	-107.84
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300019964389	1	34	-2.0	-108.20	316.92	3.50	-104.70
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C([O-])C=C1F	REAL300019964393	1	31	-2.0	-94.80	284.93	1.06	-93.74
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C([O-])C(F)=C1	REAL300019964568	1	31	-2.0	-91.79	286.58	1.05	-90.74
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019964594	0	36	-2.0	-90.02	342.83	-0.75	-90.77
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019964595	0	35	-2.0	-89.13	316.52	1.01	-88.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019964596	0	31	-2.0	-89.56	302.57	1.60	-87.96
CC1=CN=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C([O-])=C1	REAL300019964606	0	33	-2.0	-111.36	296.90	1.43	-109.93
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019964618	0	39	-2.0	-79.52	344.32	-0.20	-79.72
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019964662	0	33	-2.0	-95.56	306.35	2.78	-92.78
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019964665	0	31	-2.0	-100.45	297.25	1.17	-99.28
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019964672	0	31	-2.0	-92.85	292.79	1.12	-91.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019964709	0	33	-2.0	-106.19	306.41	3.17	-103.02
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019964742	0	36	-2.0	-74.56	325.57	-1.11	-75.67
N#CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1[O-]	REAL300019964831	0	32	-2.0	-86.73	300.54	1.41	-85.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C=CC=C1F	REAL300019964890	0	31	-2.0	-106.38	290.13	0.92	-105.46
N#CC1=CC([O-])=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019964941	1	32	-2.0	-85.09	301.25	1.33	-83.76
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1	REAL300019964946	0	39	-2.0	-99.88	344.80	5.49	-94.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1	REAL300019964946	1	39	-2.0	-99.90	344.75	5.51	-94.39
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019964970	0	31	-2.0	-83.59	300.11	-2.72	-86.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C[N-]C2=C(F)C=C(F)C=C2C1=O	REAL300019964971	0	36	-2.0	-83.45	331.43	2.91	-80.54
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019965010	1	33	-2.0	-105.72	313.43	3.86	-101.86
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=N2)=C1	REAL300019965163	0	41	-2.0	-121.54	365.89	2.92	-118.62
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019965215	1	33	-2.0	-92.05	300.97	0.84	-91.21
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(F)C=CC([O-])=C1F	REAL300019965298	1	31	-2.0	-93.62	296.48	0.91	-92.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC([O-])=CS1	REAL300019965375	0	28	-2.0	-99.60	272.65	-0.10	-99.70
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=N[N-]C([N+](=O)[O-])=C1	REAL300019965451	0	29	-2.0	-82.04	282.85	1.02	-81.02
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC([N+](=O)[O-])=N[N-]1	REAL300019965451	1	29	-2.0	-81.90	282.95	1.02	-80.88
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019965452	0	33	-2.0	-99.09	313.47	0.35	-98.74
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019965493	0	38	-2.0	-115.35	347.55	2.34	-113.01
CN1[N-]C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC1=O	REAL300019965530	0	31	-2.0	-92.47	285.92	-0.82	-93.29
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300019965532	0	36	-2.0	-116.38	320.71	3.13	-113.25
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019965724	0	38	-2.0	-115.09	357.87	2.79	-112.30
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019965725	0	38	-2.0	-115.84	350.90	2.31	-113.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019965850	0	36	-2.0	-93.46	323.21	0.50	-92.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019965957	0	38	-2.0	-117.21	340.86	2.28	-114.93
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966062	0	36	-2.0	-112.45	332.42	-2.55	-115.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019966179	0	34	-2.0	-111.57	315.69	3.54	-108.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019966183	0	36	-2.0	-103.67	329.65	0.72	-102.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019967255	0	31	-2.0	-107.56	305.74	3.19	-104.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C([O-])C(F)=C1F	REAL300019967264	0	31	-2.0	-97.18	291.00	1.13	-96.05
CSC1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)[N-]1	REAL300019967267	1	33	-2.0	-83.66	310.55	-0.50	-84.16
C=CC(=O)NC1=CC=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019967271	1	39	-2.0	-119.68	346.53	1.95	-117.73
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[N-]C(=O)C(C#N)=C1	REAL300019967273	0	34	-2.0	-82.38	312.99	0.14	-82.24
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C([O-])=C2)O1	REAL300019967295	0	40	-2.0	-117.86	361.80	4.64	-113.22
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(N2C=CC=C2)C=C1[O-]	REAL300019967363	1	39	-2.0	-114.98	338.94	5.28	-109.70
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=S)[N-]C(=O)N1	REAL300019967389	1	33	-2.0	-110.36	314.51	-1.34	-111.70
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(Br)C(=O)N=C[N-]1	REAL300019967391	0	29	-2.0	-88.99	288.11	-0.60	-89.59
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019967490	0	31	-2.0	-89.30	305.78	-2.52	-91.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC([O-])=C1F	REAL300019967501	1	31	-2.0	-110.15	284.77	1.04	-109.11
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=C1C(=O)N=C[N-]2	REAL300019967503	1	35	-2.0	-94.89	314.27	2.09	-92.80
CC1=CC=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1[O-]	REAL300019967528	1	33	-2.0	-93.19	295.79	1.48	-91.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=C(Br)C=C1[O-]	REAL300019967539	0	30	-2.0	-102.86	296.77	1.38	-101.48
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2)O1	REAL300019967693	0	40	-2.0	-117.40	361.91	4.66	-112.74
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967728	0	35	-2.0	-81.05	347.54	1.37	-79.68
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019967745	0	31	-2.0	-103.20	310.97	3.54	-99.66
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019967754	0	36	-2.0	-106.49	321.68	2.96	-103.53
CC(C)CN1[N-]C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC1=O	REAL300019967851	0	43	-2.0	-108.71	368.26	2.32	-106.39
COC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019967919	0	37	-2.0	-91.46	335.55	2.60	-88.86
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300019967920	0	31	-2.0	-111.79	300.59	3.06	-108.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C([O-])=C1	REAL300019967958	1	31	-2.0	-90.30	286.61	1.01	-89.29
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019967961	0	31	-2.0	-87.30	296.41	1.49	-85.81
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)O2)[N-]1	REAL300019968080	1	37	-2.0	-87.25	341.83	1.31	-85.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C[N-]C2=CC(F)=C(F)C=C2C1=O	REAL300019968101	0	36	-2.0	-80.30	331.48	2.86	-77.44
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(F)=C1[O-]	REAL300019968111	0	31	-2.0	-116.64	284.45	2.56	-114.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019968134	0	31	-2.0	-106.44	290.86	2.62	-103.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=N[N-]C([N+](=O)[O-])=C1Cl	REAL300019968148	1	29	-2.0	-80.70	295.35	1.47	-79.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(Cl)C([N+](=O)[O-])=N[N-]1	REAL300019968148	1	29	-2.0	-80.55	295.53	1.48	-79.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C=CC2=CC=CC=C21	REAL300019968180	1	37	-2.0	-112.12	328.79	3.10	-109.02
COC(=O)C1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[N-]N=C1C	REAL300019968196	1	36	-2.0	-92.49	329.39	0.56	-91.93
COC(=O)C1=C(C)[N-]N=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019968196	1	36	-2.0	-93.04	329.90	0.71	-92.33
CCOC(=O)C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N[N-]1	REAL300019968245	0	36	-2.0	-90.31	331.24	0.82	-89.49
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019968245	1	36	-2.0	-90.20	331.26	0.81	-89.39
COCC1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)[N-]1	REAL300019968378	1	36	-2.0	-83.56	321.42	-1.79	-85.35
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300019968447	1	39	-2.0	-84.32	335.33	1.10	-83.22
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019968517	0	36	-2.0	-88.20	326.42	3.49	-84.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C([O-])=C1F	REAL300019968522	0	31	-2.0	-109.37	290.97	1.11	-108.26
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019968536	0	34	-2.0	-88.19	312.19	2.23	-85.96
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N[N-]1	REAL300019968568	0	42	-2.0	-91.96	364.25	1.93	-90.03
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019968568	1	42	-2.0	-91.83	364.28	1.94	-89.89
N#CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)[N-]1	REAL300019968702	0	31	-2.0	-78.67	293.35	-0.53	-79.20
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2C(=N[N-]1)N=CNC2=O	REAL300019968773	1	32	-2.0	-103.38	295.24	0.56	-102.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=N[N-]C2=C1C(=O)NC=N2	REAL300019968773	1	32	-2.0	-104.27	296.19	0.53	-103.74
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C(C2CCOCC2)[N-]C1=O	REAL300019968978	1	43	-2.0	-83.58	362.27	-0.13	-83.71
O=C([N-]C1=NC=CN1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969052	1	31	-2.0	-97.47	288.83	-0.26	-97.73
CN1C(=S)[N-]N=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969066	1	30	-2.0	-85.25	286.59	1.59	-83.66
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969090	0	39	-2.0	-121.18	348.71	-1.60	-122.78
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C(Cl)[N-]1	REAL300019969156	0	27	-2.0	-84.63	269.26	-0.12	-84.75
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C[N-]C(Cl)=N1	REAL300019969156	1	27	-2.0	-84.68	269.27	-0.12	-84.80
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC(=O)N[N-]1	REAL300019971349	0	27	-2.0	-88.27	278.26	-0.09	-88.36
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC(=O)N[N-]1	REAL300019971349	1	27	-2.0	-87.84	278.04	-0.08	-87.92
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NNC(=O)[N-]C1=O	REAL300019971666	0	28	-2.0	-95.55	289.55	-2.24	-97.79
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NNC(=O)[N-]C1=O	REAL300019971666	1	28	-2.0	-95.48	289.62	-2.25	-97.73
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=CC=C1[O-]	REAL300019971717	1	30	-2.0	-104.91	299.23	5.01	-99.90
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=CC=C1[O-]	REAL300019971717	1	30	-2.0	-104.86	299.58	5.01	-99.85
CC1=C([O-])C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=NN1	REAL300019971754	1	30	-2.0	-111.54	299.15	0.60	-110.94
CC1=C([O-])C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=NN1	REAL300019971754	1	30	-2.0	-111.52	299.21	0.60	-110.92
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019971818	0	30	-2.0	-110.20	308.84	5.48	-104.72
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(Cl)=C1[O-]	REAL300019971818	1	30	-2.0	-110.09	309.19	5.48	-104.61
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C([O-])C=C1F	REAL300019971835	1	30	-2.0	-93.26	299.50	3.53	-89.73
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C([O-])C(F)=C1	REAL300019971881	1	30	-2.0	-90.23	301.44	3.51	-86.72
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=C([O-])C(F)=C1	REAL300019971881	1	30	-2.0	-90.19	301.51	3.50	-86.69
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=NC=CC=C1[O-]	REAL300019971892	0	29	-2.0	-108.72	290.03	3.24	-105.48
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=NC=CC=C1[O-]	REAL300019971892	1	29	-2.0	-108.88	290.38	3.24	-105.64
CC1=CN=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C([O-])=C1	REAL300019971901	0	32	-2.0	-110.59	311.83	3.88	-106.71
CC1=CN=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C([O-])=C1	REAL300019971901	1	32	-2.0	-110.43	311.48	3.88	-106.55
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019971930	0	30	-2.0	-91.07	307.37	3.59	-87.48
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019971930	1	30	-2.0	-90.98	307.43	3.59	-87.39
N#CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=C1[O-]	REAL300019972003	0	31	-2.0	-84.95	315.43	3.87	-81.08
N#CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=C1[O-]	REAL300019972003	1	31	-2.0	-84.95	315.49	3.86	-81.09
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C([O-])C=CC=C1F	REAL300019972030	0	30	-2.0	-105.54	305.00	3.38	-102.16
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C([O-])C=CC=C1F	REAL300019972030	1	30	-2.0	-105.49	305.06	3.38	-102.11
N#CC1=CC([O-])=CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019972051	1	31	-2.0	-83.46	316.13	3.78	-79.68
N#CC1=CC([O-])=CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019972051	1	31	-2.0	-83.41	316.20	3.78	-79.63
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972059	0	30	-2.0	-82.10	314.97	-0.26	-82.36
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972059	1	30	-2.0	-82.08	315.03	-0.26	-82.34
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019972162	1	32	-2.0	-90.64	315.32	3.31	-87.33
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019972162	1	32	-2.0	-90.57	315.38	3.30	-87.27
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C(F)C=CC([O-])=C1F	REAL300019972191	1	30	-2.0	-95.60	311.08	3.38	-92.22
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C(F)C=CC([O-])=C1F	REAL300019972191	1	30	-2.0	-95.54	311.14	3.37	-92.17
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C([O-])=C1	REAL300019973238	1	30	-2.0	-88.53	301.48	3.47	-85.06
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C([O-])=C1	REAL300019973238	1	30	-2.0	-88.51	301.54	3.46	-85.05
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019973240	0	30	-2.0	-85.63	311.28	3.96	-81.67
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019973240	1	30	-2.0	-85.63	311.34	3.94	-81.69
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(F)=C1[O-]	REAL300019973298	0	30	-2.0	-115.98	299.04	5.01	-110.97
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(F)=C1[O-]	REAL300019973298	1	30	-2.0	-115.91	299.10	5.01	-110.90
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C([O-])=C1F	REAL300019973460	0	30	-2.0	-90.71	305.84	3.56	-87.15
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C([O-])=C1F	REAL300019973460	1	30	-2.0	-108.17	305.90	3.56	-104.61
N#CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C(=O)[N-]1	REAL300019973527	0	30	-2.0	-77.55	308.20	1.93	-75.62
N#CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C(=O)[N-]1	REAL300019973527	1	30	-2.0	-77.57	308.26	1.92	-75.65
CN1C(=S)[N-]N=C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019973668	1	29	-2.0	-83.47	301.46	4.05	-79.42
CN1C(=S)[N-]N=C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973668	1	29	-2.0	-83.43	301.52	4.04	-79.39
CC1=CC(C(=O)N([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C)=CC(C)=C1	REAL300019975256	0	50	-2.0	-81.87	399.16	6.28	-75.59
CC1=CC(C(=O)N([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C)=CC(C)=C1	REAL300019975256	1	50	-2.0	-81.85	399.22	6.29	-75.56
O=C([N-]NC(=O)C1=CN=CC(Br)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019975562	0	31	-2.0	-88.82	317.29	-0.01	-88.83
O=C([N-]NC(=O)C1=CN=CC(Br)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019975562	1	31	-2.0	-88.80	317.36	-0.01	-88.81
CC1=CC(C(=O)[N-]NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=NO1	REAL300019976013	0	34	-2.0	-114.19	314.93	2.41	-111.78
CC1=CC(C(=O)[N-]NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=NO1	REAL300019976013	1	34	-2.0	-113.82	315.40	2.39	-111.43
CC1=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NO1	REAL300019976014	0	31	-2.0	-96.04	301.62	-0.74	-96.78
CC1=CC(C(=O)[N-]NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NO1	REAL300019976014	1	31	-2.0	-93.57	301.24	-0.68	-94.25
CC1=CC(C(=O)[N-]NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NO1	REAL300019976014	1	31	-2.0	-93.56	301.17	-0.69	-94.25
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=C(Br)C=N1	REAL300019976044	0	31	-2.0	-97.56	308.91	0.28	-97.28
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=C(Br)C=N1	REAL300019976044	1	31	-2.0	-97.59	308.97	0.29	-97.30
O=C([N-]NC(=O)C1=CC=C(Br)C=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019976045	0	31	-2.0	-93.04	319.51	0.07	-92.97
O=C([N-]NC(=O)C1=CC=C(Br)C=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019976045	1	31	-2.0	-93.02	319.58	0.07	-92.95
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Br)C=N1	REAL300019976045	1	31	-2.0	-88.73	319.51	0.07	-88.66
O=C(NC1=C([O-])C=CC(Cl)=C1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019976132	1	32	-2.0	-99.33	304.06	4.84	-94.49
O=C(NC1=C([O-])C=CC(Cl)=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019976133	1	29	-2.0	-83.93	297.76	1.76	-82.17
O=C(NC1=C([O-])C=CC(Cl)=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019976133	1	29	-2.0	-83.94	297.83	1.79	-82.15
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NC=C(Br)C=N1	REAL300019976211	0	30	-2.0	-98.52	304.59	-0.53	-99.05
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NC=C(Br)C=N1	REAL300019976211	1	30	-2.0	-98.49	304.65	-0.51	-99.00
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=C(Br)C=N1	REAL300019976212	0	30	-2.0	-90.31	315.25	-0.74	-91.05
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=C(Br)C=N1	REAL300019976212	1	30	-2.0	-90.26	315.18	-0.74	-91.00
CC1CCC(C[N-]C(=O)C(F)(F)F)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019976242	1	44	-2.0	-107.20	361.33	3.22	-103.98
CC1CCC(C[N-]C(=O)C(F)(F)F)N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019976243	1	44	-2.0	-86.21	369.13	3.44	-82.77
CC1CCC(C[N-]C(=O)C(F)(F)F)N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019976243	1	44	-2.0	-86.11	369.20	3.44	-82.67
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019976274	1	40	-2.0	-97.07	354.41	-0.61	-97.68
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019976274	1	40	-2.0	-97.07	354.47	-0.60	-97.67
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019976275	1	40	-2.0	-87.57	365.08	-0.83	-88.40
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019976275	1	40	-2.0	-87.60	365.14	-0.82	-88.42
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019976276	1	40	-2.0	-96.05	356.57	-1.59	-97.64
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019976276	1	40	-2.0	-96.07	356.63	-1.57	-97.64
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019976277	1	40	-2.0	-87.13	367.16	-1.80	-88.93
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019976277	1	40	-2.0	-87.11	367.22	-1.79	-88.90
CC(C)(C)OC(=O)C(C)(C)O[N-]C(=O)CCCC1=N[N-]N=N1	REAL300019976296	1	43	-2.0	-104.95	357.79	5.15	-99.80
CC(C)(C)OC(=O)C(C)(C)O[N-]C(=O)CCCC1=NN=N[N-]1	REAL300019976296	1	43	-2.0	-104.93	357.85	5.17	-99.76
O=C(CCCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300019976317	1	45	-2.0	-96.63	386.61	-1.01	-97.64
O=C(CCCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300019976317	1	45	-2.0	-96.61	386.67	-1.00	-97.61
COCCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019977020	0	33	-2.0	-86.52	320.27	0.02	-86.50
COCCC1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300019977020	1	33	-2.0	-86.54	320.34	0.03	-86.51
O=C1[N-]C(SC2=N[N-]N=N2)=NC2=C1C=NN2C1=CC=CC=C1	REAL300019977159	1	28	-2.0	-95.02	271.96	3.54	-91.48
CN1C(=O)[N-]C(N2CCN(C3=NN=N[N-]3)CC2)=C(C#N)C1=O	REAL300019978083	0	33	-2.0	-77.77	287.14	1.06	-76.71
CN1C(=O)[N-]C(N2CCN(C3=N[N-]N=N3)CC2)=C(C#N)C1=O	REAL300019978083	1	33	-2.0	-77.73	287.31	1.05	-76.68
CN1C(=O)[N-]C(N2CCC(CC3=NN=N[N-]3)C2)=C(C#N)C1=O	REAL300019978657	0	34	-2.0	-78.07	295.34	1.51	-76.56
CN1C(=O)[N-]C(N2CCC(CC3=N[N-]N=N3)C2)=C(C#N)C1=O	REAL300019978657	1	34	-2.0	-78.02	295.28	1.49	-76.53
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=C1	REAL300019981218	1	38	-2.0	-96.13	359.62	4.32	-91.81
C=CCOC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=C1	REAL300019981218	1	38	-2.0	-96.08	359.68	4.31	-91.77
CCNC(=O)N(C)[N-]S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981380	0	35	-2.0	-89.51	330.73	0.34	-89.17
CCNC(=O)N(C)[N-]S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981380	1	35	-2.0	-89.46	330.78	0.33	-89.13
O=C1NCCCN1[N-]S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981581	0	33	-2.0	-111.16	307.35	1.45	-109.71
O=C1NCCCN1[N-]S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981581	1	33	-2.0	-111.15	307.40	1.45	-109.70
CN(C)C1=NOC(C[N-]S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=N1	REAL300019981610	1	36	-2.0	-92.75	349.99	1.04	-91.71
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)[N-]O1	REAL300019981830	0	32	-2.0	-101.46	321.13	-1.51	-102.97
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)[N-]O1	REAL300019981830	1	32	-2.0	-101.43	321.19	-1.52	-102.95
CCC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1=O	REAL300019981892	0	38	-2.0	-108.51	351.88	1.64	-106.87
CCC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1=O	REAL300019981892	1	38	-2.0	-108.52	351.94	1.63	-106.89
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=N1	REAL300019981935	1	31	-2.0	-90.00	313.67	-1.21	-91.21
COC(=O)N(C)[N-]S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981971	0	31	-2.0	-90.29	306.35	0.35	-89.94
COC(=O)N(C)[N-]S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981971	1	31	-2.0	-90.30	306.40	0.35	-89.95
CNC(=O)C1=CC=NC([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=C1	REAL300019982356	0	36	-2.0	-104.08	350.68	1.07	-103.01
CNC(=O)C1=CC=NC([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=C1	REAL300019982356	1	36	-2.0	-104.11	350.74	1.06	-103.05
CN([N-]S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)OC(C)(C)C	REAL300019982410	0	40	-2.0	-92.50	361.21	2.36	-90.14
CN([N-]S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)OC(C)(C)C	REAL300019982410	1	40	-2.0	-92.45	361.27	2.36	-90.09
O=C1C2=CC=CC=C2CN1[N-]S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982442	0	35	-2.0	-114.93	337.18	4.77	-110.16
O=C1C2=CC=CC=C2CN1[N-]S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982442	1	35	-2.0	-114.87	337.24	4.76	-110.11
CCO[N-]C(=O)CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982750	0	34	-2.0	-93.58	333.81	-0.43	-94.01
CCO[N-]C(=O)CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982750	1	34	-2.0	-93.54	333.87	-0.44	-93.98
CN1N=NC([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=N1	REAL300019983444	0	28	-2.0	-98.44	291.90	1.57	-96.87
CN1N=NC([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=N1	REAL300019983444	1	28	-2.0	-98.44	291.84	1.58	-96.86
CCN1N=NC([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=N1	REAL300019983638	0	31	-2.0	-99.12	313.70	2.43	-96.69
CCN1N=NC([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=N1	REAL300019983638	1	31	-2.0	-99.16	313.64	2.44	-96.72
CC(C)N1N=NC([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=N1	REAL300019983640	0	34	-2.0	-100.00	334.54	3.09	-96.91
CC(C)N1N=NC([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=N1	REAL300019983640	1	34	-2.0	-100.05	334.48	3.10	-96.95
O=S(=O)([N-]C1=CNC2=CC=CC=C12)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019983712	0	34	-2.0	-98.94	330.23	3.51	-95.43
O=S(=O)([N-]C1=CNC2=CC=CC=C12)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983712	1	34	-2.0	-98.86	330.28	3.50	-95.36
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=N1	REAL300019983732	0	33	-2.0	-105.14	335.70	3.90	-101.24
N#CCC1=CC=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=N1	REAL300019983732	1	33	-2.0	-105.09	335.76	3.91	-101.18
CO[N-]C(=O)CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019983784	0	31	-2.0	-92.37	311.96	-1.37	-93.74
CO[N-]C(=O)CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983784	1	31	-2.0	-92.30	312.02	-1.38	-93.68
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=C1[O-]	REAL300019983911	0	35	-2.0	-91.60	318.36	1.85	-89.75
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=C1[O-]	REAL300019983911	1	35	-2.0	-91.51	318.53	1.84	-89.67
O=S(=O)(C1=CC(C(F)(F)F)=CC=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019984686	0	36	-2.0	-82.24	325.75	1.74	-80.50
O=S(=O)(C1=CC(C(F)(F)F)=CC=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019984686	1	36	-2.0	-82.24	325.91	1.74	-80.50
O=S(=O)(C1=CC=CC=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019984818	0	33	-2.0	-89.03	286.99	0.71	-88.32
O=S(=O)(C1=CC=CC=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019984818	1	33	-2.0	-89.02	287.16	0.72	-88.30
O=S(=O)(C1=CC(F)=CC=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019984920	0	33	-2.0	-83.37	293.43	0.80	-82.57
O=S(=O)(C1=CC(F)=CC=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019984920	1	33	-2.0	-83.34	293.60	0.81	-82.53
O=S(=O)(C1=C([O-])C=CC=C1OC(F)(F)F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019985012	0	37	-2.0	-89.63	333.34	2.07	-87.56
O=S(=O)(C1=C([O-])C=CC=C1OC(F)(F)F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019985012	1	37	-2.0	-89.58	333.51	2.06	-87.52
O=S(=O)(C1=CC(F)=CC=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019985024	0	33	-2.0	-83.37	293.43	0.80	-82.57
O=S(=O)(C1=CC(F)=CC=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019985024	1	33	-2.0	-83.34	293.60	0.81	-82.53
COC1=CC=CC([O-])=C1S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019985029	0	37	-2.0	-96.74	316.85	1.58	-95.16
COC1=CC=CC([O-])=C1S(=O)(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019985029	1	37	-2.0	-96.73	317.01	1.58	-95.15
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019985088	0	33	-2.0	-81.34	319.73	1.78	-79.56
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019985088	1	33	-2.0	-81.34	319.90	1.78	-79.56
CC1=CC=C([O-])C(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019985385	1	36	-2.0	-94.43	307.27	1.41	-93.02
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300019985646	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	REAL300019985646	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	REAL300019985646	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	REAL300019985646	1	35	-2.0	-85.33	334.49	0.69	-84.64
CC1=NOC(C(CO)[N-]S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=N1	REAL300019985865	0	35	-2.0	-92.95	339.90	-3.65	-96.60
CC1=NOC(C(CO)[N-]S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=N1	REAL300019985865	1	35	-2.0	-92.89	339.96	-3.66	-96.55
CN(CC1=NNC(=O)[N-]1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019986001	0	33	-2.0	-96.31	324.74	-1.28	-97.59
CN(CC1=NNC(=O)[N-]1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986001	1	33	-2.0	-96.28	324.80	-1.29	-97.57
O=S(=O)([N-]C1=CNC2=CC=CC(F)=C12)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019986410	0	34	-2.0	-102.51	336.73	3.59	-98.92
O=S(=O)([N-]C1=CNC2=CC=CC(F)=C12)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986410	1	34	-2.0	-102.48	336.79	3.58	-98.90
CCC1=NOC(C[N-]S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=N1	REAL300019986551	1	34	-2.0	-90.42	335.15	-0.60	-91.02
CC(C)(C)C1=NOC(C[N-]S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=N1	REAL300019986563	1	40	-2.0	-91.58	375.40	0.41	-91.17
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1=O	REAL300019986650	0	35	-2.0	-108.84	335.61	0.85	-107.99
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1=O	REAL300019986650	1	35	-2.0	-108.80	335.67	0.85	-107.95
O=C([O-])C1=CC=C(N2C(=O)CC(NCC3=N[N-]N=N3)C2=O)C=C1	REAL300019987107	0	33	-2.0	-97.74	306.03	1.97	-95.77
O=C([O-])C1=CC=C(N2C(=O)CC(NCC3=NN=N[N-]3)C2=O)C=C1	REAL300019987107	1	33	-2.0	-97.77	306.08	1.99	-95.78
O=C([O-])C1=CC=CC(N2C(=O)CC(NCC3=N[N-]N=N3)C2=O)=C1	REAL300019987108	0	33	-2.0	-108.05	306.68	1.97	-106.08
O=C([O-])C1=CC=CC(N2C(=O)CC(NCC3=NN=N[N-]3)C2=O)=C1	REAL300019987108	1	33	-2.0	-108.07	306.74	1.98	-106.09
CC1=CC(C(=O)[O-])=CC=C1N1C(=O)CC(NCC2=N[N-]N=N2)C1=O	REAL300019987116	0	36	-2.0	-96.89	325.06	3.05	-93.84
CC1=CC(C(=O)[O-])=CC=C1N1C(=O)CC(NCC2=NN=N[N-]2)C1=O	REAL300019987116	1	36	-2.0	-96.91	325.12	3.06	-93.85
O=C([O-])C1=CC=C(CN2C(=O)CC(NCC3=N[N-]N=N3)C2=O)C=C1	REAL300019987119	0	36	-2.0	-92.11	327.33	2.55	-89.56
O=C([O-])C1=CC=C(CN2C(=O)CC(NCC3=NN=N[N-]3)C2=O)C=C1	REAL300019987119	1	36	-2.0	-92.09	327.39	2.56	-89.53
CC(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300019987125	0	41	-2.0	-123.47	342.37	7.60	-115.87
CC(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300019987125	1	41	-2.0	-123.45	342.43	7.60	-115.85
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCCCC1	REAL300019987126	0	44	-2.0	-130.07	333.17	6.97	-123.10
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCCCC1	REAL300019987126	1	44	-2.0	-130.00	333.23	6.96	-123.04
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL300019987127	0	38	-2.0	-122.01	316.18	6.21	-115.80
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300019987127	1	38	-2.0	-121.97	316.25	6.20	-115.77
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987128	0	37	-2.0	-108.72	304.13	4.89	-103.83
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987128	1	37	-2.0	-108.67	304.19	4.88	-103.79
O=C([O-])C(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300019987129	0	38	-2.0	-122.27	334.35	7.03	-115.24
O=C([O-])C(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300019987129	1	38	-2.0	-122.22	334.41	7.03	-115.19
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCCC1	REAL300019987130	0	41	-2.0	-121.43	326.44	6.58	-114.85
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCCC1	REAL300019987130	1	41	-2.0	-121.43	326.50	6.57	-114.86
O=C([O-])C1CC=CCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987131	0	36	-2.0	-127.38	310.05	5.60	-121.78
O=C([O-])C1CC=CCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987131	1	36	-2.0	-127.37	310.11	5.60	-121.77
O=C([O-])CC1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCCC1	REAL300019987132	0	44	-2.0	-95.83	338.71	6.49	-89.34
O=C([O-])CC1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCCC1	REAL300019987132	1	44	-2.0	-95.80	338.78	6.49	-89.31
O=C([O-])CC1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL300019987133	0	41	-2.0	-94.19	328.80	6.06	-88.13
O=C([O-])CC1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300019987133	1	41	-2.0	-94.23	328.90	6.05	-88.18
CCC(CC)(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300019987134	0	40	-2.0	-99.70	323.29	5.89	-93.81
CCC(CC)(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300019987134	1	40	-2.0	-99.68	323.35	5.88	-93.80
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC2=CC=CC=C2C1	REAL300019987135	0	42	-2.0	-124.05	355.48	8.37	-115.68
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC2=CC=CC=C2C1	REAL300019987135	1	42	-2.0	-124.02	355.54	8.36	-115.66
CC(CC(=O)[O-])(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCCC1	REAL300019987136	0	47	-2.0	-112.83	359.09	7.45	-105.38
CC(CC(=O)[O-])(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCCC1	REAL300019987136	1	47	-2.0	-112.76	359.16	7.45	-105.31
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987137	0	36	-2.0	-92.10	303.47	5.51	-86.59
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987137	1	36	-2.0	-94.61	303.72	5.48	-89.13
O=C([O-])C1CC=CCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987138	0	36	-2.0	-127.38	310.05	5.60	-121.78
O=C([O-])C1CC=CCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987138	1	36	-2.0	-127.37	310.11	5.60	-121.77
O=C([O-])C1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300019987139	0	33	-2.0	-116.19	296.67	4.27	-111.92
O=C([O-])C1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019987139	1	33	-2.0	-116.15	296.74	4.27	-111.88
O=C([O-])C1C2C=CC(CC2)C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987140	0	40	-2.0	-92.87	326.83	6.31	-86.56
O=C([O-])C1C2C=CC(CC2)C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987140	1	40	-2.0	-92.83	326.88	6.30	-86.53
CC(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300019987141	0	41	-2.0	-116.06	357.53	8.15	-107.91
CC(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300019987141	1	41	-2.0	-116.04	357.59	8.14	-107.90
O=C([O-])CC1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL300019987142	0	38	-2.0	-103.30	316.50	5.55	-97.75
O=C([O-])CC1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL300019987142	1	38	-2.0	-103.20	316.57	5.55	-97.65
CC(OC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300019987143	0	35	-2.0	-131.18	314.32	4.68	-126.50
CC(OC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300019987143	1	35	-2.0	-131.15	314.39	4.67	-126.48
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCOC1	REAL300019987144	0	36	-2.0	-122.01	303.89	3.68	-118.33
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCOC1	REAL300019987144	1	36	-2.0	-122.00	303.96	3.68	-118.32
COC1=CC=C(N(CC(=O)[O-])CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019987145	0	44	-2.0	-106.51	381.40	6.27	-100.24
COC1=CC=C(N(CC(=O)[O-])CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019987145	1	44	-2.0	-106.46	381.47	6.26	-100.20
O=C([O-])CN(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1	REAL300019987146	0	40	-2.0	-102.76	368.61	7.49	-95.27
O=C([O-])CN(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1	REAL300019987146	1	40	-2.0	-102.73	368.68	7.48	-95.25
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL300019987147	0	35	-2.0	-124.82	299.61	5.71	-119.11
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL300019987147	1	35	-2.0	-124.77	299.67	5.69	-119.08
CC(SC(C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300019987148	0	35	-2.0	-127.78	322.21	5.10	-122.68
CC(SC(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300019987148	1	35	-2.0	-127.71	322.27	5.09	-122.62
O=C([O-])C1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL300019987149	0	36	-2.0	-139.79	307.83	6.79	-133.00
O=C([O-])C1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300019987149	1	36	-2.0	-140.59	308.39	6.80	-133.79
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCC2=CC=CC=C21	REAL300019987150	0	45	-2.0	-120.49	360.56	8.65	-111.84
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCC2=CC=CC=C21	REAL300019987150	1	45	-2.0	-120.48	360.63	8.65	-111.83
O=C([O-])C1=CC(F)=C(F)C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987151	0	32	-2.0	-108.94	306.15	6.16	-102.78
O=C([O-])C1=CC(F)=C(F)C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987151	1	32	-2.0	-108.88	306.20	6.15	-102.73
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987152	0	38	-2.0	-134.81	310.40	5.45	-129.36
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987152	1	38	-2.0	-134.74	310.46	5.45	-129.29
CC1=CC=C(C)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1C(=O)[O-]	REAL300019987153	0	38	-2.0	-114.34	330.39	6.42	-107.92
CC1=CC=C(C)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1C(=O)[O-]	REAL300019987153	1	38	-2.0	-114.31	330.46	6.42	-107.89
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987154	0	35	-2.0	-90.14	304.54	5.15	-84.99
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987154	1	35	-2.0	-90.11	304.60	5.14	-84.97
O=C([O-])C1CCCC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987155	0	35	-2.0	-127.94	298.05	5.44	-122.50
O=C([O-])C1CCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987155	1	35	-2.0	-127.88	298.12	5.44	-122.44
CC(CC(=O)[O-])(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC=C1	REAL300019987156	0	38	-2.0	-93.24	333.47	6.39	-86.85
CC(CC(=O)[O-])(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC=C1	REAL300019987156	1	38	-2.0	-93.22	333.53	6.38	-86.84
O=C([O-])CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(F)C=CC=C1Cl	REAL300019987157	0	38	-2.0	-99.34	344.90	7.38	-91.96
O=C([O-])CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(F)C=CC=C1Cl	REAL300019987157	1	38	-2.0	-99.25	344.97	7.36	-91.89
CC(C)CC(C)(CC(=O)[O-])C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987158	0	43	-2.0	-110.81	336.89	6.45	-104.36
CC(C)CC(C)(CC(=O)[O-])C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987158	1	43	-2.0	-110.80	336.96	6.44	-104.36
CCC(CC(=O)[O-])(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C)C=C1	REAL300019987159	0	47	-2.0	-109.42	376.56	8.43	-100.99
CCC(CC(=O)[O-])(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C)C=C1	REAL300019987159	1	47	-2.0	-109.37	376.63	8.42	-100.95
CC(CC(=O)[O-])(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1	REAL300019987160	0	41	-2.0	-106.32	348.12	7.40	-98.92
CC(CC(=O)[O-])(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C=C1	REAL300019987160	1	41	-2.0	-106.24	348.19	7.39	-98.85
CCC(C)(CC(=O)[O-])C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987161	0	37	-2.0	-103.64	305.35	4.70	-98.94
CCC(C)(CC(=O)[O-])C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987161	1	37	-2.0	-103.66	305.41	4.69	-98.97
CC(C)(SCC(=O)[O-])C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987163	0	35	-2.0	-113.19	315.47	4.97	-108.22
CC(C)(SCC(=O)[O-])C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987163	1	35	-2.0	-113.19	315.54	4.96	-108.23
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987164	0	37	-2.0	-119.79	306.95	5.92	-113.87
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987164	1	37	-2.0	-119.73	307.01	5.91	-113.82
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC2=CC=CC=C21	REAL300019987165	0	42	-2.0	-104.19	350.86	8.26	-95.93
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC2=CC=CC=C21	REAL300019987165	1	42	-2.0	-104.12	350.92	8.25	-95.87
O=C([O-])[C@]1(C2=CC=CC=C2)C[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987166	0	39	-2.0	-111.07	342.92	7.25	-103.82
O=C([O-])[C@]1(C2=CC=CC=C2)C[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987166	1	39	-2.0	-111.12	342.97	7.24	-103.88
O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019987167	0	38	-2.0	-118.41	320.12	5.67	-112.74
O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019987167	1	38	-2.0	-118.37	320.17	5.67	-112.70
O=C([O-])C1CC1(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300019987168	0	39	-2.0	-107.05	348.35	7.35	-99.70
O=C([O-])C1CC1(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300019987168	1	39	-2.0	-107.15	348.43	7.34	-99.81
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC(F)(F)C1(F)F	REAL300019987169	0	35	-2.0	-106.35	321.58	5.18	-101.17
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC(F)(F)C1(F)F	REAL300019987169	1	35	-2.0	-106.36	321.64	5.18	-101.18
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987170	0	40	-2.0	-108.73	328.64	6.14	-102.59
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987170	1	40	-2.0	-108.69	328.70	6.13	-102.56
C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987171	0	40	-2.0	-116.49	324.91	6.16	-110.33
C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987171	1	40	-2.0	-116.49	324.98	6.15	-110.34
CC1=CC=C(C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)[O-])C=C1	REAL300019987172	0	41	-2.0	-123.88	355.49	7.71	-116.17
CC1=CC=C(C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)[O-])C=C1	REAL300019987172	1	41	-2.0	-123.86	355.56	7.70	-116.16
CC(C)(OCC(=O)[O-])C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987173	0	35	-2.0	-121.07	305.68	4.40	-116.67
CC(C)(OCC(=O)[O-])C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987173	1	35	-2.0	-121.04	305.75	4.39	-116.65
CC1=C(C(=O)[O-])C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C(C)S1	REAL300019987174	0	35	-2.0	-113.94	325.83	5.57	-108.37
CC1=C(C(=O)[O-])C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C(C)S1	REAL300019987174	1	35	-2.0	-113.97	325.89	5.57	-108.40
O=C([O-])CCCCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987175	0	40	-2.0	-104.55	346.00	6.42	-98.13
O=C([O-])CCCCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987175	1	40	-2.0	-104.51	346.06	6.41	-98.10
CCC1CC(C(=O)[O-])C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019987176	0	41	-2.0	-113.36	342.68	6.29	-107.07
CCC1CC(C(=O)[O-])C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019987176	1	41	-2.0	-113.32	342.75	6.28	-107.04
O=C([O-])CCCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987177	0	37	-2.0	-110.89	324.51	5.64	-105.25
O=C([O-])CCCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987177	1	37	-2.0	-110.92	324.56	5.63	-105.29
O=C([O-])CC1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019987178	0	35	-2.0	-97.85	305.59	5.22	-92.63
O=C([O-])CC1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019987178	1	35	-2.0	-97.79	305.64	5.21	-92.58
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987179	0	37	-2.0	-102.66	315.15	3.63	-99.03
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987179	1	37	-2.0	-102.67	315.22	3.62	-99.05
O=C([O-])C1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCCC1	REAL300019987180	0	39	-2.0	-142.59	323.14	7.20	-135.39
O=C([O-])C1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCCC1	REAL300019987180	1	39	-2.0	-142.54	323.21	7.19	-135.35
O=C([O-])C1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300019987181	0	33	-2.0	-106.28	304.04	4.90	-101.38
O=C([O-])C1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300019987181	1	33	-2.0	-106.21	304.10	4.88	-101.33
O=C([O-])C12CC1(C(=O)NC1=CC=CC(C3=N[N-]N=N3)=C1)CCC2	REAL300019987182	0	36	-2.0	-138.77	311.47	5.59	-133.18
O=C([O-])C12CC1(C(=O)NC1=CC=CC(C3=NN=N[N-]3)=C1)CCC2	REAL300019987182	1	36	-2.0	-138.72	311.54	5.58	-133.14
O=C([O-])C1C2CCC(CC2)C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987183	0	42	-2.0	-92.11	331.80	6.36	-85.75
O=C([O-])C1C2CCC(CC2)C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987183	1	42	-2.0	-92.09	331.89	6.35	-85.74
O=C([O-])[C@H]1CCCCC[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987184	0	41	-2.0	-105.76	326.90	5.84	-99.92
O=C([O-])[C@H]1CCCCC[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987184	1	41	-2.0	-110.20	326.96	5.83	-104.37
O=C([O-])C(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCCC1	REAL300019987185	0	44	-2.0	-125.45	351.64	6.84	-118.61
O=C([O-])C(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCCC1	REAL300019987185	1	44	-2.0	-125.36	351.69	6.83	-118.53
O=C([O-])C1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCCCC1	REAL300019987186	0	42	-2.0	-143.15	331.78	7.79	-135.36
O=C([O-])C1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCCCC1	REAL300019987186	1	42	-2.0	-143.04	331.85	7.78	-135.26
O=C([O-])C(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)CC1=CC=CC=C1	REAL300019987187	0	41	-2.0	-125.05	358.17	7.91	-117.14
O=C([O-])C(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)CC1=CC=CC=C1	REAL300019987187	1	41	-2.0	-125.06	358.24	7.90	-117.16
O=C([O-])CC(CC1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019987188	0	41	-2.0	-89.35	370.89	8.07	-81.28
O=C([O-])CC(CC1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019987188	1	41	-2.0	-89.30	370.96	8.05	-81.25
COC1=CC=C(C(CC(=O)[O-])C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019987189	0	42	-2.0	-100.98	362.31	5.88	-95.10
COC1=CC=C(C(CC(=O)[O-])C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019987189	1	42	-2.0	-100.93	362.37	5.88	-95.05
O=C([O-])CC(C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1	REAL300019987190	0	38	-2.0	-97.46	349.56	7.12	-90.34
O=C([O-])CC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1	REAL300019987190	1	38	-2.0	-97.40	349.62	7.11	-90.29
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300019987191	0	41	-2.0	-105.33	340.77	7.63	-97.70
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300019987191	1	41	-2.0	-105.35	340.81	7.62	-97.73
O=C([O-])C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCCC1	REAL300019987192	0	44	-2.0	-111.79	334.66	6.62	-105.17
O=C([O-])C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCCC1	REAL300019987192	1	44	-2.0	-111.77	334.70	6.61	-105.16
O=C([O-])C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300019987193	0	38	-2.0	-106.86	316.14	6.21	-100.65
O=C([O-])C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300019987193	1	38	-2.0	-108.78	315.90	6.20	-102.58
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987194	0	37	-2.0	-95.38	304.11	4.89	-90.49
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987194	1	37	-2.0	-95.36	304.15	4.88	-90.48
O=C([O-])C(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019987195	0	38	-2.0	-106.06	334.34	7.03	-99.03
O=C([O-])C(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019987195	1	38	-2.0	-106.06	334.38	7.02	-99.04
O=C([O-])C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL300019987196	0	41	-2.0	-106.44	326.40	6.58	-99.86
O=C([O-])C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL300019987196	1	41	-2.0	-108.49	326.16	6.57	-101.92
O=C([O-])C1CC=CCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987197	0	36	-2.0	-91.53	302.67	5.73	-85.80
O=C([O-])C1CC=CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987197	1	36	-2.0	-91.45	302.70	5.72	-85.73
O=C([O-])CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL300019987198	0	44	-2.0	-88.70	338.79	6.49	-82.21
O=C([O-])CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL300019987198	1	44	-2.0	-88.70	338.82	6.48	-82.22
O=C([O-])CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300019987199	0	41	-2.0	-95.27	329.38	6.09	-89.18
O=C([O-])CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300019987199	1	41	-2.0	-95.31	329.46	6.09	-89.22
CCC(CC)(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL300019987200	0	40	-2.0	-107.18	322.32	5.98	-101.20
CCC(CC)(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL300019987200	1	40	-2.0	-107.16	322.37	5.98	-101.18
O=C([O-])C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2=CC=CC=C2C1	REAL300019987201	0	42	-2.0	-107.83	355.44	8.37	-99.46
O=C([O-])C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2=CC=CC=C2C1	REAL300019987201	1	42	-2.0	-109.57	355.20	8.36	-101.21
CC(CC(=O)[O-])(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1	REAL300019987202	0	47	-2.0	-100.54	359.36	7.45	-93.09
CC(CC(=O)[O-])(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1	REAL300019987202	1	47	-2.0	-100.48	359.40	7.44	-93.04
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987203	0	36	-2.0	-89.57	303.64	5.48	-84.09
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987203	1	36	-2.0	-89.58	303.69	5.48	-84.10
O=C([O-])C1CC=CCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987204	0	36	-2.0	-91.53	302.67	5.73	-85.80
O=C([O-])C1CC=CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987204	1	36	-2.0	-91.45	302.70	5.72	-85.73
O=C([O-])C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019987205	0	33	-2.0	-106.75	296.61	4.25	-102.50
O=C([O-])C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019987205	1	33	-2.0	-106.77	296.66	4.24	-102.53
O=C([O-])C1C2C=CC(CC2)C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987206	0	40	-2.0	-96.28	319.44	6.74	-89.54
O=C([O-])C1C2C=CC(CC2)C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987206	1	40	-2.0	-96.27	319.48	6.74	-89.53
CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300019987207	0	41	-2.0	-106.08	362.96	8.09	-97.99
CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300019987207	1	41	-2.0	-104.35	363.29	8.07	-96.28
O=C([O-])CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL300019987208	0	38	-2.0	-94.27	315.96	5.54	-88.73
O=C([O-])CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL300019987208	1	38	-2.0	-94.30	316.01	5.55	-88.75
CC(OC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL300019987209	0	35	-2.0	-106.91	309.47	4.59	-102.32
CC(OC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL300019987209	1	35	-2.0	-106.92	309.52	4.58	-102.34
O=C([O-])C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOC1	REAL300019987210	0	36	-2.0	-106.45	303.85	3.68	-102.77
O=C([O-])C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOC1	REAL300019987210	1	36	-2.0	-106.46	303.89	3.68	-102.78
COC1=CC=C(N(CC(=O)[O-])CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019987211	0	44	-2.0	-96.88	381.39	6.27	-90.61
COC1=CC=C(N(CC(=O)[O-])CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019987211	1	44	-2.0	-96.86	381.43	6.26	-90.60
O=C([O-])CN(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300019987212	0	40	-2.0	-93.27	368.60	7.49	-85.78
O=C([O-])CN(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300019987212	1	40	-2.0	-93.22	368.64	7.48	-85.74
O=C([O-])C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL300019987213	0	35	-2.0	-105.98	301.31	5.43	-100.55
O=C([O-])C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL300019987213	1	35	-2.0	-106.00	301.35	5.43	-100.57
CC(SC(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL300019987214	0	35	-2.0	-91.31	322.58	5.13	-86.18
CC(SC(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL300019987214	1	35	-2.0	-91.35	322.62	5.12	-86.23
O=C([O-])C1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300019987215	0	36	-2.0	-116.32	307.61	6.79	-109.53
O=C([O-])C1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300019987215	1	36	-2.0	-116.13	308.40	6.80	-109.33
O=C([O-])C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC2=CC=CC=C21	REAL300019987216	0	45	-2.0	-110.64	364.27	8.34	-102.30
O=C([O-])C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC2=CC=CC=C21	REAL300019987216	1	45	-2.0	-110.65	364.32	8.34	-102.31
O=C([O-])C1=CC(F)=C(F)C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987217	0	32	-2.0	-97.62	305.80	6.18	-91.44
O=C([O-])C1=CC(F)=C(F)C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987217	1	32	-2.0	-97.62	305.84	6.18	-91.44
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987218	0	38	-2.0	-106.12	310.85	5.46	-100.66
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987218	1	38	-2.0	-106.09	310.91	5.46	-100.63
CC1=CC=C(C)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1C(=O)[O-]	REAL300019987219	0	38	-2.0	-104.70	330.64	6.64	-98.06
CC1=CC=C(C)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1C(=O)[O-]	REAL300019987219	1	38	-2.0	-104.64	330.69	6.63	-98.01
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987220	0	35	-2.0	-87.22	304.24	5.16	-82.06
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987220	1	35	-2.0	-87.23	304.28	5.15	-82.08
O=C([O-])C1CCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987221	0	35	-2.0	-101.22	301.99	5.02	-96.20
O=C([O-])C1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987221	1	35	-2.0	-101.15	302.02	5.01	-96.14
CC(CC(=O)[O-])(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC=C1	REAL300019987222	0	38	-2.0	-97.29	333.75	6.38	-90.91
CC(CC(=O)[O-])(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC=C1	REAL300019987222	1	38	-2.0	-97.32	333.80	6.37	-90.95
O=C([O-])CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=CC=C1Cl	REAL300019987223	0	38	-2.0	-90.66	346.04	6.99	-83.67
O=C([O-])CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=CC=C1Cl	REAL300019987223	1	38	-2.0	-90.65	346.08	6.97	-83.68
CC(C)CC(C)(CC(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987224	0	43	-2.0	-103.47	340.28	6.46	-97.01
CC(C)CC(C)(CC(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987224	1	43	-2.0	-103.50	340.33	6.44	-97.06
CCC(CC(=O)[O-])(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C)C=C1	REAL300019987225	0	47	-2.0	-102.24	376.34	8.47	-93.77
CCC(CC(=O)[O-])(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C)C=C1	REAL300019987225	1	47	-2.0	-102.21	376.38	8.47	-93.74
CC(CC(=O)[O-])(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1	REAL300019987226	0	41	-2.0	-95.96	348.39	7.40	-88.56
CC(CC(=O)[O-])(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1	REAL300019987226	1	41	-2.0	-95.92	348.44	7.39	-88.53
CCC(C)(CC(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987227	0	37	-2.0	-89.57	305.33	4.70	-84.87
CCC(C)(CC(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987227	1	37	-2.0	-89.58	305.38	4.69	-84.89
CC(C)(SCC(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987229	0	35	-2.0	-98.24	315.16	4.98	-93.26
CC(C)(SCC(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987229	1	35	-2.0	-98.23	315.20	4.97	-93.26
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987230	0	37	-2.0	-99.75	306.80	5.93	-93.82
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987230	1	37	-2.0	-99.75	306.82	5.92	-93.83
O=C([O-])C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC2=CC=CC=C21	REAL300019987231	0	42	-2.0	-110.18	353.67	8.15	-102.03
O=C([O-])C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC2=CC=CC=C21	REAL300019987231	1	42	-2.0	-110.24	353.71	8.14	-102.10
O=C([O-])[C@]1(C2=CC=CC=C2)C[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987232	0	39	-2.0	-118.43	342.37	8.18	-110.25
O=C([O-])[C@]1(C2=CC=CC=C2)C[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987232	1	39	-2.0	-101.14	345.47	7.43	-93.71
O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019987233	0	38	-2.0	-102.18	320.02	5.66	-96.52
O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019987233	1	38	-2.0	-102.19	320.06	5.65	-96.54
O=C([O-])C1CC1(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300019987234	0	39	-2.0	-108.99	348.27	7.35	-101.64
O=C([O-])C1CC1(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019987234	1	39	-2.0	-109.00	348.33	7.34	-101.66
O=C([O-])C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC(F)(F)C1(F)F	REAL300019987235	0	35	-2.0	-96.86	324.41	5.74	-91.12
O=C([O-])C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(F)(F)C1(F)F	REAL300019987235	1	35	-2.0	-96.87	324.44	5.74	-91.13
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987236	0	40	-2.0	-99.81	328.86	6.18	-93.63
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987236	1	40	-2.0	-102.47	329.15	6.16	-96.31
C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987237	0	40	-2.0	-105.39	324.84	6.10	-99.29
C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987237	1	40	-2.0	-105.37	324.89	6.11	-99.26
CC1=CC=C(C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[O-])C=C1	REAL300019987238	0	41	-2.0	-106.48	352.85	8.14	-98.34
CC1=CC=C(C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[O-])C=C1	REAL300019987238	1	41	-2.0	-106.48	352.90	8.13	-98.35
CC(C)(OCC(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987239	0	35	-2.0	-104.17	305.37	4.39	-99.78
CC(C)(OCC(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987239	1	35	-2.0	-104.15	305.41	4.38	-99.77
CC1=C(C(=O)[O-])C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C(C)S1	REAL300019987240	0	35	-2.0	-104.24	325.79	5.58	-98.66
CC1=C(C(=O)[O-])C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C(C)S1	REAL300019987240	1	35	-2.0	-104.24	325.83	5.57	-98.67
O=C([O-])CCCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987241	0	40	-2.0	-94.36	346.26	6.41	-87.95
O=C([O-])CCCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987241	1	40	-2.0	-94.43	346.30	6.40	-88.03
CCC1CC(C(=O)[O-])C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019987242	0	41	-2.0	-102.98	342.78	6.31	-96.67
CCC1CC(C(=O)[O-])C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019987242	1	41	-2.0	-101.19	342.55	6.31	-94.88
O=C([O-])CCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987243	0	37	-2.0	-98.40	324.76	5.63	-92.77
O=C([O-])CCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987243	1	37	-2.0	-98.47	324.80	5.62	-92.85
O=C([O-])CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019987244	0	35	-2.0	-96.89	306.02	5.22	-91.67
O=C([O-])CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019987244	1	35	-2.0	-96.85	306.07	5.23	-91.62
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987245	0	37	-2.0	-107.01	313.49	3.70	-103.31
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987245	1	37	-2.0	-107.00	313.52	3.69	-103.31
O=C([O-])C1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL300019987246	0	39	-2.0	-100.12	325.58	6.19	-93.93
O=C([O-])C1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL300019987246	1	39	-2.0	-100.10	325.62	6.19	-93.91
O=C([O-])C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300019987247	0	33	-2.0	-98.25	303.59	4.87	-93.38
O=C([O-])C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300019987247	1	33	-2.0	-98.26	303.63	4.87	-93.39
O=C([O-])C12CC1(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)CCC2	REAL300019987248	0	36	-2.0	-95.53	312.87	5.61	-89.92
O=C([O-])C12CC1(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)CCC2	REAL300019987248	1	36	-2.0	-94.75	311.60	5.77	-88.98
O=C([O-])C1C2CCC(CC2)C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987249	0	42	-2.0	-86.06	332.55	6.37	-79.69
O=C([O-])C1C2CCC(CC2)C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987249	1	42	-2.0	-86.08	332.60	6.36	-79.72
O=C([O-])[C@H]1CCCCC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987250	0	41	-2.0	-100.29	326.81	5.83	-94.46
O=C([O-])[C@H]1CCCCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987250	1	41	-2.0	-100.30	326.86	5.84	-94.46
O=C([O-])C(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1	REAL300019987251	0	44	-2.0	-106.30	350.85	7.51	-98.79
O=C([O-])C(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1	REAL300019987251	1	44	-2.0	-106.24	350.90	7.50	-98.74
O=C([O-])C1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCCC1	REAL300019987252	0	42	-2.0	-117.74	331.27	7.80	-109.94
O=C([O-])C1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCCC1	REAL300019987252	1	42	-2.0	-117.69	331.31	7.79	-109.90
O=C([O-])C(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)CC1=CC=CC=C1	REAL300019987253	0	41	-2.0	-111.45	358.39	7.91	-103.54
O=C([O-])C(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC1=CC=CC=C1	REAL300019987253	1	41	-2.0	-111.41	358.43	7.90	-103.51
O=C([O-])CC(CC1=CC=C(Cl)C=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019987254	0	41	-2.0	-97.06	366.42	8.40	-88.66
O=C([O-])CC(CC1=CC=C(Cl)C=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019987254	1	41	-2.0	-97.11	366.47	8.40	-88.71
COC1=CC=C(C(CC(=O)[O-])C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019987255	0	42	-2.0	-102.29	367.71	5.93	-96.36
COC1=CC=C(C(CC(=O)[O-])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019987255	1	42	-2.0	-102.31	367.71	5.92	-96.39
O=C([O-])CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300019987256	0	38	-2.0	-86.53	349.00	7.19	-79.34
O=C([O-])CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300019987256	1	38	-2.0	-86.94	349.37	7.17	-79.77
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL300019987257	0	38	-2.0	-115.47	337.47	6.82	-108.65
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300019987257	1	38	-2.0	-115.48	337.53	6.81	-108.67
CC(C)(CC(=O)[O-])CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987258	0	37	-2.0	-88.33	325.42	5.50	-82.83
CC(C)(CC(=O)[O-])CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987258	1	37	-2.0	-88.35	325.48	5.50	-82.85
O=C([O-])C1CC=CCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987259	0	36	-2.0	-118.65	332.22	6.22	-112.43
O=C([O-])C1CC=CCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987259	1	36	-2.0	-118.57	332.28	6.21	-112.36
O=C([O-])CCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987260	0	28	-2.0	-84.65	281.57	3.90	-80.75
O=C([O-])CCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987260	1	28	-2.0	-84.60	281.63	3.89	-80.71
O=C([O-])CSCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987261	0	29	-2.0	-89.75	304.42	4.47	-85.28
O=C([O-])CSCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987261	1	29	-2.0	-89.73	304.48	4.46	-85.27
CCC(CC)(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300019987262	0	40	-2.0	-97.27	344.27	6.51	-90.76
CCC(CC)(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300019987262	1	40	-2.0	-100.30	344.62	6.49	-93.81
CC(C)(CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300019987263	0	34	-2.0	-84.10	312.23	5.00	-79.10
CC(C)(CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300019987263	1	34	-2.0	-84.10	312.30	4.99	-79.11
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987264	0	36	-2.0	-88.09	324.80	6.12	-81.97
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987264	1	36	-2.0	-89.91	325.00	6.10	-83.81
O=C([O-])C1CC=CCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987265	0	36	-2.0	-118.65	332.22	6.22	-112.43
O=C([O-])C1CC=CCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987265	1	36	-2.0	-118.57	332.28	6.21	-112.36
O=C([O-])C1CCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300019987266	0	33	-2.0	-110.99	317.95	4.89	-106.10
O=C([O-])C1CCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019987266	1	33	-2.0	-93.73	318.02	4.88	-88.85
O=C([O-])CC1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCC1	REAL300019987267	0	38	-2.0	-91.28	338.02	6.16	-85.12
O=C([O-])CC1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCC1	REAL300019987267	1	38	-2.0	-91.23	338.08	6.15	-85.08
CC(OC(C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300019987268	0	35	-2.0	-93.28	336.04	5.29	-87.99
CC(OC(C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300019987268	1	35	-2.0	-93.25	336.10	5.28	-87.97
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCOC1	REAL300019987269	0	36	-2.0	-99.45	325.17	4.30	-95.15
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCOC1	REAL300019987269	1	36	-2.0	-99.42	325.23	4.29	-95.13
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCC1	REAL300019987270	0	35	-2.0	-119.74	320.64	6.32	-113.42
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCC1	REAL300019987270	1	35	-2.0	-119.62	320.70	6.31	-113.31
O=C([O-])C1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL300019987271	0	36	-2.0	-131.32	329.14	7.40	-123.92
O=C([O-])C1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300019987271	1	36	-2.0	-131.28	329.21	7.39	-123.89
CC(CC(=O)[O-])CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987272	0	34	-2.0	-90.68	315.67	5.12	-85.56
CC(CC(=O)[O-])CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987272	1	34	-2.0	-90.71	315.73	5.12	-85.59
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987273	0	38	-2.0	-124.60	331.86	6.08	-118.52
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987273	1	38	-2.0	-124.53	331.90	6.07	-118.46
O=C([O-])C1CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019987274	0	32	-2.0	-90.11	307.79	5.06	-85.05
O=C([O-])C1CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019987274	1	32	-2.0	-90.06	307.85	5.05	-85.01
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987275	0	35	-2.0	-89.52	325.83	5.76	-83.76
CC1(C)C(C(=O)[O-])C1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987275	1	35	-2.0	-89.41	325.89	5.76	-83.65
O=C([O-])C1CCCC1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987276	0	35	-2.0	-119.68	319.34	6.06	-113.62
O=C([O-])C1CCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987276	1	35	-2.0	-119.63	319.40	6.05	-113.58
CCC(C)(CC(=O)[O-])C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987277	0	37	-2.0	-83.45	326.64	5.31	-78.14
CCC(C)(CC(=O)[O-])C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987277	1	37	-2.0	-83.44	326.70	5.31	-78.13
O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019987278	0	38	-2.0	-112.12	341.80	6.29	-105.83
O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019987278	1	38	-2.0	-112.04	341.87	6.29	-105.75
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987279	0	40	-2.0	-98.73	350.18	6.79	-91.94
CC(C)CC(CC(=O)[O-])C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987279	1	40	-2.0	-92.62	350.51	6.77	-85.85
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987280	0	29	-2.0	-101.02	291.32	4.52	-96.50
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987280	1	29	-2.0	-101.01	291.39	4.51	-96.50
CC(C)(OCC(=O)[O-])C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987281	0	35	-2.0	-95.29	326.97	5.01	-90.28
CC(C)(OCC(=O)[O-])C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987281	1	35	-2.0	-95.34	327.03	5.00	-90.34
O=C([O-])CCCCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987282	0	40	-2.0	-88.47	367.56	7.02	-81.45
O=C([O-])CCCCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987282	1	40	-2.0	-88.50	367.62	7.02	-81.48
O=C([O-])CCCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987283	0	37	-2.0	-91.27	346.06	6.24	-85.03
O=C([O-])CCCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987283	1	37	-2.0	-91.31	346.13	6.23	-85.08
O=C([O-])CC1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019987284	0	35	-2.0	-93.41	328.42	5.83	-87.58
O=C([O-])CC1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019987284	1	35	-2.0	-93.39	328.48	5.82	-87.57
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019987285	0	32	-2.0	-122.23	305.98	5.95	-116.28
O=C([O-])C1(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019987285	1	32	-2.0	-122.21	306.04	5.94	-116.27
O=C([O-])C1CCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)S1	REAL300019987286	0	33	-2.0	-101.56	325.62	5.49	-96.07
O=C([O-])C1CCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)S1	REAL300019987286	1	33	-2.0	-101.53	325.68	5.48	-96.05
O=C([O-])C1=C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CCC1	REAL300019987287	0	33	-2.0	-114.48	317.81	5.49	-108.99
O=C([O-])C1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCC1	REAL300019987287	1	33	-2.0	-114.40	317.87	5.48	-108.92
O=C([O-])C12CC1(C(=O)NC1=CC(Br)=CC(C3=N[N-]N=N3)=C1)CCC2	REAL300019987288	0	36	-2.0	-124.42	330.10	6.39	-118.03
O=C([O-])C12CC1(C(=O)NC1=CC(Br)=CC(C3=NN=N[N-]3)=C1)CCC2	REAL300019987288	1	36	-2.0	-124.39	330.17	6.38	-118.01
O=C([O-])CCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019987289	0	34	-2.0	-87.58	324.57	5.46	-82.12
O=C([O-])CCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019987289	1	34	-2.0	-87.52	324.63	5.45	-82.07
O=C([N-]C1=NC2=CC=CC=C2S1)NC1(C2=N[N-]N=N2)CCC1	REAL300019987307	1	33	-2.0	-116.39	297.05	2.55	-113.84
O=C([N-]C1=NC2=CC=CC=C2S1)NC1(C2=NN=N[N-]2)CCC1	REAL300019987307	1	33	-2.0	-116.42	297.12	2.54	-113.88
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300019987308	0	35	-2.0	-119.62	320.91	0.92	-118.70
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300019987308	1	35	-2.0	-119.62	320.97	0.91	-118.71
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=CC=CC=C1F	REAL300019987325	1	32	-2.0	-116.20	288.03	2.84	-113.36
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)OC1=CC=C([N+](=O)[O-])C=C1	REAL300019987340	1	35	-2.0	-103.38	319.63	3.27	-100.11
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)OC1=CC=CC([N+](=O)[O-])=C1	REAL300019987341	1	35	-2.0	-110.32	319.63	3.27	-107.05
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=NC=C(C(F)(F)F)C=C1Cl	REAL300019987351	0	34	-2.0	-109.24	329.27	3.12	-106.12
O=C([N-]C1(C2=NN=N[N-]2)CCC1)C(F)(F)C1=NC=C(C(F)(F)F)C=C1Cl	REAL300019987351	1	34	-2.0	-109.24	329.33	3.12	-106.12
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)OC1=C(F)C=C(Cl)C=C1F	REAL300019987355	0	33	-2.0	-115.07	325.40	3.42	-111.65
O=C([N-]C1(C2=NN=N[N-]2)CCC1)C(F)(F)OC1=C(F)C=C(Cl)C=C1F	REAL300019987355	1	33	-2.0	-115.06	325.46	3.43	-111.63
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300019987362	1	35	-2.0	-106.31	302.28	-0.10	-106.41
COC1=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(OC)=C1OC	REAL300019987489	0	44	-2.0	-91.99	392.76	0.29	-91.70
COC1=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(OC)=C1OC	REAL300019987489	1	44	-2.0	-91.97	392.83	0.29	-91.68
COC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1OC	REAL300019987491	0	40	-2.0	-94.78	359.59	0.36	-94.42
COC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1OC	REAL300019987491	1	40	-2.0	-94.81	359.66	0.36	-94.45
O=C([N-]NC(=O)C1=CC=C2OCOC2=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987493	0	35	-2.0	-93.31	327.00	-0.18	-93.49
O=C([N-]NC(=O)C1=CC=C2OCOC2=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987493	1	35	-2.0	-93.27	327.07	-0.18	-93.45
O=C([N-]NC(=O)C1=CC=CC=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987494	0	32	-2.0	-100.03	305.54	1.22	-98.81
O=C([N-]NC(=O)C1=CC=CC=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987494	1	32	-2.0	-100.02	305.60	1.22	-98.80
O=C([N-]NC(=O)C1COC2=CC=CC=C2O1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987496	0	38	-2.0	-93.51	348.65	1.32	-92.19
O=C([N-]NC(=O)C1COC2=CC=CC=C2O1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987496	1	38	-2.0	-93.53	348.73	1.32	-92.21
CC1=CC=CC(OC(C)C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1C	REAL300019987500	0	45	-2.0	-95.38	389.02	3.60	-91.78
CC1=CC=CC(OC(C)C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1C	REAL300019987500	1	45	-2.0	-95.44	389.10	3.60	-91.84
CC1=CC=C(C(C)C)C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019987515	0	48	-2.0	-95.95	414.54	4.41	-91.54
CC1=CC=C(C(C)C)C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019987515	1	48	-2.0	-95.96	414.61	4.41	-91.55
CCOC1=CC=CC=C1OCC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987541	0	43	-2.0	-100.31	385.62	2.44	-97.87
CCOC1=CC=CC=C1OCC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987541	1	43	-2.0	-100.32	385.69	2.45	-97.87
COC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019987544	0	36	-2.0	-94.46	330.38	0.45	-94.01
COC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019987544	1	36	-2.0	-94.48	330.45	0.45	-94.03
CC1=CC=C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019987566	0	39	-2.0	-94.69	355.92	2.45	-92.24
CC1=CC=C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019987566	1	39	-2.0	-94.66	355.99	2.45	-92.21
O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987568	0	40	-2.0	-99.74	342.01	1.48	-98.26
O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987568	1	40	-2.0	-99.75	342.08	1.48	-98.27
CCC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019987588	0	38	-2.0	-95.61	343.86	2.58	-93.03
CCC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019987588	1	38	-2.0	-95.64	343.93	2.58	-93.06
CCC1(C)NC(=O)N([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL300019987590	0	36	-2.0	-99.86	320.16	0.14	-99.72
CCC1(C)NC(=O)N([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL300019987590	1	36	-2.0	-99.88	320.25	0.14	-99.74
O=C(CC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987591	0	35	-2.0	-92.70	325.59	1.87	-90.83
O=C(CC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987591	1	35	-2.0	-92.71	325.66	1.87	-90.84
O=C(CC1=CN2C=CSC2=N1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987644	0	35	-2.0	-106.34	342.19	1.70	-104.64
O=C([N-]NC(=O)C1=CC2=C(CCC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987646	0	36	-2.0	-96.00	339.00	2.19	-93.81
O=C([N-]NC(=O)C1=CC2=C(CCC2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987646	1	36	-2.0	-95.97	339.07	2.20	-93.77
O=C([N-]NC(=O)C1=CC=C2OCCOC2=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987650	0	38	-2.0	-96.41	345.44	0.31	-96.10
O=C([N-]NC(=O)C1=CC=C2OCCOC2=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987650	1	38	-2.0	-96.39	345.50	0.30	-96.09
COC1=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(OC)=C1	REAL300019987685	0	40	-2.0	-98.16	359.92	-0.25	-98.41
COC1=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(OC)=C1	REAL300019987685	1	40	-2.0	-98.15	359.98	-0.25	-98.40
O=C([N-]NC(=O)C1=CNC2=CC=CC=C12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987691	0	36	-2.0	-102.04	333.39	1.15	-100.89
O=C([N-]NC(=O)C1=CNC2=CC=CC=C12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987691	1	36	-2.0	-102.03	333.46	1.15	-100.88
O=C([N-]NC(=O)C1=CC=CC=C1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987707	0	33	-2.0	-98.24	309.82	-0.31	-98.55
O=C([N-]NC(=O)C1=CC=CC=C1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987707	1	33	-2.0	-98.22	309.89	-0.31	-98.53
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019987731	0	38	-2.0	-95.34	341.93	-0.19	-95.53
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019987731	1	38	-2.0	-95.35	341.99	-0.18	-95.53
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019987732	0	38	-2.0	-89.40	352.50	-0.41	-89.81
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019987732	1	38	-2.0	-89.36	352.57	-0.40	-89.76
O=C([N-]NC(=O)C1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987753	0	38	-2.0	-92.59	326.76	1.42	-91.17
O=C([N-]NC(=O)C1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987753	1	38	-2.0	-92.59	326.83	1.42	-91.17
CCCOC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1OC	REAL300019987755	0	46	-2.0	-94.15	402.95	2.08	-92.07
CCCOC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1OC	REAL300019987755	1	46	-2.0	-94.15	403.01	2.07	-92.08
O=C([N-]NC(=O)C(=O)NC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987761	0	33	-2.0	-89.53	314.47	-2.57	-92.10
O=C([N-]NC(=O)C(=O)NC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987761	1	33	-2.0	-89.46	314.54	-2.57	-92.03
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019987781	0	39	-3.0	-201.77	358.19	0.67	-201.10
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019987781	1	39	-3.0	-201.73	358.24	0.68	-201.05
O=C([N-]NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987782	0	39	-3.0	-187.98	369.17	0.41	-187.57
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019987782	1	39	-3.0	-195.45	368.85	0.46	-194.99
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019987782	1	39	-3.0	-195.43	368.78	0.46	-194.97
O=C([N-]NC(=O)C1=CC(C2=CC=CC=C2)=NN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987786	0	39	-2.0	-90.28	362.43	1.21	-89.07
O=C([N-]NC(=O)C1=CC(C2=CC=CC=C2)=NN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987786	1	39	-2.0	-90.29	362.49	1.21	-89.08
CC1=CC=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987788	0	35	-2.0	-95.88	317.04	1.81	-94.07
CC1=CC=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987788	1	35	-2.0	-95.86	317.11	1.82	-94.04
O=C([N-]NC(=O)C1=CC2=C(CCCCC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987837	0	42	-2.0	-96.22	374.03	3.40	-92.82
O=C([N-]NC(=O)C1=CC2=C(CCCCC2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987837	1	42	-2.0	-96.18	374.09	3.41	-92.77
O=C(CN1CCCC2=CC=CC=C21)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987839	0	44	-2.0	-92.86	371.23	1.46	-91.40
O=C(CN1CCCC2=CC=CC=C21)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987839	1	44	-2.0	-92.79	371.30	1.48	-91.31
O=C([N-]NC(=O)C1=CC=CC=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987871	0	32	-2.0	-96.50	313.51	1.64	-94.86
O=C([N-]NC(=O)C1=CC=CC=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987871	1	32	-2.0	-96.47	313.58	1.65	-94.82
CC(OC1=CC=CC=C1F)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987878	0	39	-2.0	-99.21	358.18	2.41	-96.80
CC(OC1=CC=CC=C1F)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987878	1	39	-2.0	-99.18	358.25	2.42	-96.76
CN1C=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987886	0	33	-2.0	-95.83	306.42	0.58	-95.25
CN1C=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987886	1	33	-2.0	-95.84	306.49	0.60	-95.24
O=C([N-]NC(=O)C1CCS(=O)(=O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987896	0	35	-2.0	-95.54	329.41	-3.23	-98.77
O=C([N-]NC(=O)C1CCS(=O)(=O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987896	1	35	-2.0	-95.54	329.47	-3.23	-98.77
CC1=CC=C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C	REAL300019987903	0	42	-2.0	-95.37	372.92	2.98	-92.39
CC1=CC=C(OCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C	REAL300019987903	1	42	-2.0	-95.39	372.99	2.98	-92.41
O=C([N-]NC(=O)C12CC3CC(CC(C3)C1)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987912	0	46	-2.0	-96.03	365.78	3.06	-92.97
O=C([N-]NC(=O)C12CC3CC(CC(C3)C1)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987912	1	46	-2.0	-95.99	365.85	3.06	-92.93
O=C([N-]NC(=O)C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987916	0	32	-2.0	-96.26	300.98	1.14	-95.12
O=C([N-]NC(=O)C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987916	1	32	-2.0	-96.28	301.05	1.14	-95.14
CC1=CC(C)=NN1CC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987923	0	38	-2.0	-96.61	348.65	0.31	-96.30
CC1=CC(C)=NN1CC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987923	1	38	-2.0	-96.59	348.72	0.31	-96.28
CC1=C(C(=O)[N-]NC(=O)CCCC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300019987925	1	41	-2.0	-98.12	374.68	3.04	-95.08
CC1=C(C(=O)[N-]NC(=O)CCCC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300019987925	1	41	-2.0	-98.08	374.62	3.02	-95.06
CCOC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1OC	REAL300019987927	0	43	-2.0	-94.57	381.45	1.28	-93.29
CCOC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1OC	REAL300019987927	1	43	-2.0	-94.60	381.52	1.27	-93.33
O=C([N-]NC(=O)C1=CC2=C(CCCCCC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987930	0	45	-2.0	-96.37	382.30	3.67	-92.70
O=C([N-]NC(=O)C1=CC2=C(CCCCCC2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987930	1	45	-2.0	-96.37	382.37	3.68	-92.69
O=C([N-]NC(=O)C1=NC2=CC=CC=C2C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987932	0	37	-2.0	-101.90	344.44	1.61	-100.29
O=C([N-]NC(=O)C1=NC2=CC=CC=C2C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987932	1	37	-2.0	-101.91	344.51	1.62	-100.29
CCOC1=CC=C(OC(C)C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019987944	0	46	-2.0	-94.44	402.50	2.57	-91.87
CCOC1=CC=C(OC(C)C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019987944	1	46	-2.0	-94.49	402.57	2.58	-91.91
O=C([N-]NC(=O)C1=CC=CN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987964	0	31	-2.0	-93.89	295.96	-0.61	-94.50
O=C([N-]NC(=O)C1=CC=CN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987964	1	31	-2.0	-93.89	296.03	-0.61	-94.50
O=C([N-]NC(=O)C1=CC=CC(Cl)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987971	0	32	-2.0	-93.27	317.71	1.65	-91.62
O=C([N-]NC(=O)C1=CC=CC(Cl)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987971	1	32	-2.0	-93.25	317.78	1.65	-91.60
CN(C)C1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019987973	0	40	-2.0	-98.12	353.46	1.55	-96.57
CN(C)C1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019987973	1	40	-2.0	-98.11	353.53	1.55	-96.56
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1	REAL300019987986	0	41	-2.0	-102.81	366.52	-1.60	-104.41
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1	REAL300019987986	1	41	-2.0	-102.84	366.58	-1.58	-104.42
CC(OC1=CC=C(F)C=C1)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987988	0	39	-2.0	-92.10	357.57	2.42	-89.68
CC(OC1=CC=C(F)C=C1)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987988	1	39	-2.0	-92.10	357.64	2.43	-89.67
COC1=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1OC(C)C	REAL300019987992	0	46	-2.0	-94.56	399.35	1.88	-92.68
COC1=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1OC(C)C	REAL300019987992	1	46	-2.0	-94.51	399.42	1.89	-92.62
O=C(CC1=CC=C(F)C=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987994	0	35	-2.0	-90.62	332.01	1.94	-88.68
O=C(CC1=CC=C(F)C=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987994	1	35	-2.0	-90.62	332.08	1.94	-88.68
O=C([N-]NC(=O)C1=CC(Br)=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988011	0	30	-2.0	-91.49	309.78	-0.41	-91.90
O=C([N-]NC(=O)C1=CC(Br)=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988011	1	30	-2.0	-91.51	309.85	-0.40	-91.91
O=C(CC1=CC=C(Cl)C=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988017	0	35	-2.0	-90.43	342.33	2.39	-88.04
O=C(CC1=CC=C(Cl)C=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988017	1	35	-2.0	-90.41	342.40	2.39	-88.02
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=C(Br)S1	REAL300019988019	0	29	-2.0	-92.37	304.58	1.24	-91.13
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=C(Br)S1	REAL300019988019	1	29	-2.0	-92.36	304.63	1.25	-91.11
O=C([N-]NC(=O)C1=CC=C(Br)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988020	0	29	-2.0	-90.07	314.76	0.90	-89.17
O=C([N-]NC(=O)C1=CC=C(Br)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988020	1	29	-2.0	-90.06	314.83	0.90	-89.16
CC1CCC2=C(C=C(C(=O)N[N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)S2)C1	REAL300019988022	0	42	-2.0	-95.50	377.54	3.39	-92.11
CC1CCC2=C(C=C(C(=O)N[N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)S2)C1	REAL300019988022	1	42	-2.0	-95.50	377.61	3.40	-92.10
O=C(CC1=CNC2=CC=CC=C12)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988026	0	39	-2.0	-97.67	357.51	1.92	-95.75
O=C(CC1=CNC2=CC=CC=C12)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988026	1	39	-2.0	-97.67	357.58	1.93	-95.74
O=C([N-]NC(=O)C1=CC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988141	0	31	-2.0	-99.54	298.19	-0.53	-100.07
O=C([N-]NC(=O)C1=CC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988141	1	31	-2.0	-99.49	298.25	-0.53	-100.02
O=C([N-]NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988143	0	34	-2.0	-94.35	329.17	1.80	-92.55
O=C([N-]NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988143	1	34	-2.0	-94.34	329.24	1.80	-92.54
O=C(CC12CC3CC(CC(C3)C1)C2)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988161	0	49	-2.0	-93.48	380.54	3.77	-89.71
O=C(CC12CC3CC(CC(C3)C1)C2)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988161	1	49	-2.0	-93.48	380.60	3.77	-89.71
CN1N=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C2C1=O	REAL300019988187	0	40	-2.0	-91.99	365.75	0.63	-91.36
CN1N=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C2C1=O	REAL300019988187	1	40	-2.0	-91.94	365.82	0.63	-91.31
O=C([N-]NC(=O)C1=NNC(=O)C2=CC=CC=C21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988189	0	37	-2.0	-90.65	344.51	-0.97	-91.62
O=C([N-]NC(=O)C1=NNC(=O)C2=CC=CC=C21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988189	1	37	-2.0	-90.67	344.58	-0.96	-91.63
CC1=CC=CC(OCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019988192	0	39	-2.0	-95.03	355.93	2.45	-92.58
CC1=CC=CC(OCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019988192	1	39	-2.0	-95.04	355.99	2.45	-92.59
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019988355	1	46	-2.0	-97.45	395.67	1.10	-96.35
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019988355	1	46	-2.0	-97.49	395.73	1.12	-96.37
O=C(CCCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300019988356	1	47	-2.0	-98.32	396.85	1.38	-96.94
O=C(CCCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300019988356	1	47	-2.0	-98.27	396.91	1.39	-96.88
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1	REAL300019988360	0	43	-2.0	-102.97	385.95	2.91	-100.06
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1	REAL300019988360	1	43	-2.0	-103.01	386.01	2.92	-100.09
COC1=CC(Cl)=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988362	0	36	-2.0	-96.04	345.01	2.23	-93.81
COC1=CC(Cl)=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988362	1	36	-2.0	-96.01	345.08	2.23	-93.78
O=C(CCCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300019988378	1	44	-2.0	-98.81	381.75	0.51	-98.30
O=C(CCCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300019988378	1	44	-2.0	-98.83	381.81	0.52	-98.31
O=C(CSC1=CC=C(Cl)C=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988380	0	36	-2.0	-89.81	360.85	2.85	-86.96
O=C(CSC1=CC=C(Cl)C=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988380	1	36	-2.0	-89.79	360.91	2.85	-86.94
CCN1C(C)=NC2=CC(C(=O)N[N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C21	REAL300019988382	0	44	-2.0	-103.24	390.47	3.15	-100.09
CCN1C(C)=NC2=CC(C(=O)N[N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C21	REAL300019988382	1	44	-2.0	-103.24	390.54	3.15	-100.09
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CC(Cl)=CC=C1[O-]	REAL300019988554	1	33	-2.0	-92.47	313.89	2.25	-90.22
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CC(Cl)=CC=C1[O-]	REAL300019988554	1	33	-2.0	-92.53	313.95	2.26	-90.27
O=C([N-]NC(=O)C1=CC(Cl)=CC=C1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988555	0	33	-2.0	-95.08	326.54	0.21	-94.87
O=C([N-]NC(=O)C1=CC(Cl)=CC=C1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988555	1	33	-2.0	-95.06	326.61	0.21	-94.85
CC1(C2=CC=CC=C2)NC(=O)N([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL300019988565	0	40	-2.0	-101.17	356.75	2.39	-98.78
CC1(C2=CC=CC=C2)NC(=O)N([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL300019988565	1	40	-2.0	-101.16	356.83	2.39	-98.77
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300019988602	0	39	-2.0	-107.63	334.13	0.29	-107.34
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300019988602	1	39	-2.0	-107.66	334.18	0.30	-107.36
O=C([N-]NC(=O)C1=NNC2=C1CCCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988603	0	39	-2.0	-101.30	345.13	0.02	-101.28
CC1=NN=C(NNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[N-]C1=O	REAL300019988616	0	31	-2.0	-76.94	294.51	-0.43	-77.37
CC1=NN=C(NNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N-]C1=O	REAL300019988616	1	31	-2.0	-76.91	294.58	-0.43	-77.34
COC1=CC=C(NCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019988778	0	41	-2.0	-89.82	368.01	-0.55	-90.37
COC1=CC=C(NCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019988778	1	41	-2.0	-89.82	368.08	-0.55	-90.37
CC1=CC=C(NCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019988780	0	40	-2.0	-89.54	359.89	0.83	-88.71
CC1=CC=C(NCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019988780	1	40	-2.0	-89.51	359.96	0.83	-88.68
COC1=CC=CC=C1NCC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988782	0	41	-2.0	-93.22	366.88	-0.43	-93.65
COC1=CC=CC=C1NCC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988782	1	41	-2.0	-93.23	366.95	-0.42	-93.65
CC1=CC=C(NCC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)=C1	REAL300019988785	0	43	-2.0	-89.82	377.71	1.62	-88.20
CC1=CC=C(NCC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)=C1	REAL300019988785	1	43	-2.0	-89.82	377.78	1.62	-88.20
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1	REAL300019988862	0	37	-2.0	-94.70	363.91	4.89	-89.81
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1	REAL300019988862	1	37	-2.0	-94.70	363.85	4.88	-89.82
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300019988863	0	37	-2.0	-96.88	357.50	4.82	-92.06
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300019988863	1	37	-2.0	-96.90	357.44	4.81	-92.09
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988864	0	37	-2.0	-88.03	368.88	4.51	-83.52
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988864	1	37	-2.0	-88.04	368.95	4.52	-83.52
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)CCCC3=NN=N[N-]3)S2)C=C1	REAL300019988865	0	38	-2.0	-96.09	378.36	5.22	-90.87
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)CCCC3=N[N-]N=N3)S2)C=C1	REAL300019988865	1	38	-2.0	-96.06	378.30	5.20	-90.86
CCCCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019988868	0	35	-2.0	-88.40	329.59	2.50	-85.90
C=CCSC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019988897	0	31	-2.0	-95.66	310.40	2.35	-93.31
C=CCSC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019988897	1	31	-2.0	-95.66	310.34	2.34	-93.32
C=CCSC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019988898	0	31	-2.0	-86.91	321.79	2.04	-84.87
C=CCSC1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300019988898	1	31	-2.0	-86.91	321.85	2.05	-84.86
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(SCC2=CC=C(Cl)C=C2)S1	REAL300019988899	0	37	-2.0	-94.57	374.23	5.34	-89.23
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(SCC2=CC=C(Cl)C=C2)S1	REAL300019988899	1	37	-2.0	-94.56	374.17	5.33	-89.23
CC(C)CC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019988900	0	35	-2.0	-88.97	326.33	2.32	-86.65
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC=C2)S1	REAL300019988916	0	33	-2.0	-101.84	311.24	3.36	-98.48
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC=C2)S1	REAL300019988916	1	33	-2.0	-101.84	311.30	3.37	-98.47
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988917	0	33	-2.0	-91.56	323.17	3.17	-88.39
COC(=O)C1=C(C)N=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019988919	1	33	-2.0	-87.09	307.57	1.66	-85.43
CCOC(=O)C1=C(C)N=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019988930	1	36	-2.0	-87.51	329.43	2.60	-84.91
CCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019988945	0	29	-2.0	-88.50	286.60	0.96	-87.54
CCOC(=O)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019988951	1	43	-2.0	-92.43	385.64	5.44	-86.99
CCOC(=O)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019988951	1	43	-2.0	-92.42	385.59	5.43	-86.99
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300019988969	0	39	-2.0	-99.50	337.10	3.62	-95.88
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300019988969	1	39	-2.0	-99.52	337.16	3.63	-95.89
O=C([N-]C1=NN=C(C2CCCCC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988970	0	39	-2.0	-89.27	349.05	3.46	-85.81
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300019988975	0	39	-2.0	-99.81	370.41	1.51	-98.30
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300019988975	1	39	-2.0	-99.81	370.36	1.49	-98.32
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CO2)S1	REAL300019988976	0	30	-2.0	-98.89	294.34	1.58	-97.31
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CO2)S1	REAL300019988976	1	30	-2.0	-98.91	294.40	1.59	-97.32
O=C([N-]C1=NN=C(C2=CC=CO2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988977	0	30	-2.0	-90.00	305.79	1.26	-88.74
CCCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019988994	0	32	-2.0	-88.33	308.10	1.72	-86.61
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C23CC4CC(CC(C4)C2)C3)S1	REAL300019989135	0	47	-2.0	-102.42	375.52	5.21	-97.21
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C23CC4CC(CC(C4)C2)C3)S1	REAL300019989135	1	47	-2.0	-102.39	375.46	5.20	-97.19
CCCCCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019989136	0	38	-2.0	-98.29	339.15	3.44	-94.85
CCCCCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019989136	1	38	-2.0	-98.30	339.20	3.45	-94.85
CCCCCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019989137	0	38	-2.0	-88.33	351.09	3.28	-85.05
CCC(CC)C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019989138	0	38	-2.0	-99.92	333.41	2.99	-96.93
CCC(CC)C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019989138	1	38	-2.0	-99.90	333.47	3.00	-96.90
CCC(CC)C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019989139	0	38	-2.0	-90.01	345.91	2.86	-87.15
CC(C)C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019989140	0	32	-2.0	-88.92	307.42	1.55	-87.37
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1[N-]S(C)(=O)=O	REAL300019989172	1	40	-2.0	-90.48	347.90	-0.66	-91.14
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1[N-]S(C)(=O)=O	REAL300019989172	1	40	-2.0	-90.48	347.96	-0.65	-91.13
COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1[N-]S(C)(=O)=O	REAL300019989173	1	40	-2.0	-87.28	363.48	-0.74	-88.02
COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1[N-]S(C)(=O)=O	REAL300019989173	1	40	-2.0	-87.29	363.41	-0.75	-88.04
CCOC(=O)CSC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019989174	0	36	-2.0	-94.26	353.24	2.73	-91.53
CCOC(=O)CSC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019989174	1	36	-2.0	-94.25	353.19	2.71	-91.54
CCOC(=O)CSC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019989175	0	36	-2.0	-85.91	364.63	2.42	-83.49
CCCCCCCCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019989176	0	47	-2.0	-98.29	403.64	5.78	-92.51
CCCCCCCCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019989176	1	47	-2.0	-98.26	403.70	5.80	-92.46
CCCCCCCCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019989177	0	47	-2.0	-88.39	415.59	5.62	-82.77
N#CC1=C(C#N)[N-]C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019989419	0	27	-2.0	-70.17	283.49	2.78	-67.39
N#CC1=C(C#N)[N-]C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300019989419	1	27	-2.0	-70.19	283.57	2.79	-67.40
CC(C)(C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1)C1=CC=CC=C1	REAL300019989428	0	42	-2.0	-105.26	365.14	5.04	-100.22
CC(C)(C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1)C1=CC=CC=C1	REAL300019989428	1	42	-2.0	-105.27	365.08	5.02	-100.25
CC(C)(C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1)C1=CC=CC=C1	REAL300019989429	0	42	-2.0	-94.81	377.01	4.86	-89.95
CC(C)(C1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1)C1=CC=CC=C1	REAL300019989429	1	42	-2.0	-94.83	377.08	4.87	-89.96
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C(F)(F)F)S1	REAL300019989464	0	26	-2.0	-88.45	272.67	0.79	-87.66
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C(F)(F)F)S1	REAL300019989464	1	26	-2.0	-88.47	272.61	0.77	-87.70
O=C([N-]C1=NN=C(C(F)(F)F)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989465	0	26	-2.0	-78.52	284.55	0.60	-77.92
O=C([N-]C1=NN=C(C(F)(F)F)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989465	1	26	-2.0	-78.53	284.62	0.61	-77.92
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=CC(=O)N[N-]2)C=C1	REAL300019989573	1	36	-2.0	-94.10	318.52	1.38	-92.72
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=CC(=O)N[N-]2)C=C1	REAL300019989573	1	36	-2.0	-94.09	318.58	1.40	-92.69
CS(=O)(=O)C1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019989656	0	38	-2.0	-102.98	361.65	-1.34	-104.32
CS(=O)(=O)C1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019989656	1	38	-2.0	-102.94	361.72	-1.34	-104.28
CCC(C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1)C1=CC=CC=C1	REAL300019989683	0	42	-2.0	-101.39	370.90	5.36	-96.03
CCC(C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1)C1=CC=CC=C1	REAL300019989683	1	42	-2.0	-101.36	370.96	5.37	-95.99
CCC(C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1)C1=CC=CC=C1	REAL300019989684	0	42	-2.0	-90.92	382.84	5.20	-85.72
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=C(Cl)C2=CC=C(F)C=C2S1	REAL300019989747	0	35	-2.0	-94.46	348.99	3.49	-90.97
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=C(Cl)C2=CC=C(F)C=C2S1	REAL300019989747	1	35	-2.0	-94.48	349.05	3.50	-90.98
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300019989876	1	43	-2.0	-110.38	381.82	3.30	-107.08
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300019989876	1	43	-2.0	-110.32	381.88	3.31	-107.01
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300019989894	1	44	-2.0	-93.86	363.73	4.91	-88.95
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300019989894	1	44	-2.0	-93.89	363.79	4.92	-88.97
O=C(C1=CC=C([O-])C=C1)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019989895	1	44	-2.0	-83.30	371.62	5.19	-78.11
O=C(C1=CC=C([O-])C=C1)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019989895	1	44	-2.0	-83.31	371.69	5.19	-78.12
O=C(CC1=CC2=CC=CC=C2C=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019990043	0	41	-2.0	-95.02	371.72	4.12	-90.90
O=C(CC1=CC2=CC=CC=C2C=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019990043	1	41	-2.0	-94.96	371.78	4.12	-90.84
CC1=CC=C(C2=NNC(C(=O)N[N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)C=C1	REAL300019990107	0	42	-2.0	-90.24	383.82	1.89	-88.35
CC1=CC=C(C2=NNC(C(=O)N[N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)C=C1	REAL300019990107	1	42	-2.0	-90.23	383.89	1.89	-88.34
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C([N-]S(=O)(=O)C2=CC=CC=C2)S1	REAL300019990332	0	37	-3.0	-189.14	365.25	0.76	-188.38
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C([N-]S(=O)(=O)C2=CC=CC=C2)S1	REAL300019990332	1	37	-3.0	-189.14	365.20	0.74	-188.40
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300019990512	0	40	-2.0	-95.12	349.00	1.84	-93.28
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300019990512	1	40	-2.0	-95.04	348.95	1.83	-93.21
O=C([N-]C1=NN=CS1)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019990513	0	40	-2.0	-84.35	357.08	2.01	-82.34
O=C([N-]C1=NN=CS1)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019990513	1	40	-2.0	-84.32	357.02	2.01	-82.31
CS(=O)(=O)[N-]C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300019990525	0	30	-3.0	-182.20	307.66	-2.46	-184.66
CS(=O)(=O)[N-]C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300019990525	1	30	-3.0	-182.17	307.61	-2.48	-184.65
O=C([N-]NC(=O)C1=CC2=CC=CC=C2C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019990606	0	38	-2.0	-97.51	347.05	3.40	-94.11
O=C([N-]NC(=O)C1=CC2=CC=CC=C2C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019990606	1	38	-2.0	-97.44	347.11	3.40	-94.04
CC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(O)=C1	REAL300019990618	0	36	-2.0	-97.87	331.21	0.35	-97.52
CC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(O)=C1	REAL300019990618	1	36	-2.0	-97.90	331.28	0.35	-97.55
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=CC=C2)=NS1	REAL300019990698	0	33	-2.0	-93.42	309.64	3.83	-89.59
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=CC=C2)=NS1	REAL300019990698	1	33	-2.0	-93.44	309.58	3.82	-89.62
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019990699	0	33	-2.0	-86.37	321.03	3.54	-82.83
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300019990735	0	33	-2.0	-93.45	313.88	2.25	-91.20
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300019990735	1	33	-2.0	-93.42	313.94	2.26	-91.16
O=C([N-]NC(=O)C1=CC=C(Cl)C=C1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019990736	0	33	-2.0	-92.51	326.53	0.21	-92.30
O=C([N-]NC(=O)C1=CC=C(Cl)C=C1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019990736	1	33	-2.0	-92.47	326.60	0.21	-92.26
CC(C)(C)C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019990870	0	35	-2.0	-90.21	325.64	2.04	-88.17
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(SCC2=CC=CS2)S1	REAL300019990983	0	34	-2.0	-96.23	347.73	3.90	-92.33
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(SCC2=CC=CS2)S1	REAL300019990983	1	34	-2.0	-96.20	347.67	3.89	-92.31
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC=N2)S1	REAL300019990984	0	32	-2.0	-102.70	307.45	1.61	-101.09
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC=N2)S1	REAL300019990984	1	32	-2.0	-102.68	307.50	1.62	-101.06
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019990985	0	32	-2.0	-93.86	318.89	1.31	-92.55
CCCC1=N[N-]C(=S)N1CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019991435	1	41	-2.0	-104.28	370.22	6.22	-98.06
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019991458	0	35	-2.0	-92.71	322.45	4.66	-88.05
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019991458	1	35	-2.0	-92.73	322.40	4.65	-88.08
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019991502	0	33	-2.0	-92.49	312.45	3.46	-89.03
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019991502	1	33	-2.0	-92.51	312.39	3.45	-89.06
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019991620	1	39	-2.0	-118.56	371.84	6.34	-112.22
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019991620	1	39	-2.0	-118.54	371.79	6.33	-112.21
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019991652	0	38	-2.0	-90.49	353.05	3.60	-86.89
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019991652	1	38	-2.0	-90.51	353.00	3.58	-86.93
CC1=NC2=CC(=O)[N-]N2C(C)=C1CCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019992378	1	47	-2.0	-101.66	397.72	3.60	-98.06
CC1=NC2=CC(=O)[N-]N2C(C)=C1CCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019992378	1	47	-2.0	-101.60	397.78	3.62	-97.98
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019992550	0	44	-2.0	-109.02	376.98	2.82	-106.20
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019992550	1	44	-2.0	-108.99	377.04	2.83	-106.16
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=CC(Br)=C1[O-]	REAL300019992559	0	33	-2.0	-114.32	314.67	5.13	-109.19
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CC(Br)=C1[O-]	REAL300019992559	1	33	-2.0	-114.34	314.62	5.11	-109.23
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019992631	0	37	-2.0	-103.29	338.68	1.83	-101.46
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019992631	1	37	-2.0	-103.30	338.63	1.82	-101.48
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300019992636	0	38	-2.0	-88.79	345.65	2.64	-86.15
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300019992636	1	38	-2.0	-88.78	345.59	2.63	-86.15
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(F)=CC(Cl)=C1[O-]	REAL300019992701	0	33	-2.0	-106.71	316.71	5.09	-101.62
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(F)=CC(Cl)=C1[O-]	REAL300019992701	1	33	-2.0	-106.70	316.65	5.07	-101.63
CCN1[N-]C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=CC1=O	REAL300019992778	0	36	-2.0	-100.59	323.98	1.99	-98.60
CCN1[N-]C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=CC1=O	REAL300019992778	1	36	-2.0	-100.59	323.92	1.97	-98.62
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019992984	0	33	-2.0	-93.97	308.84	3.04	-90.93
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019992984	1	33	-2.0	-93.99	308.78	3.03	-90.96
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=N1	REAL300019992996	0	46	-2.0	-128.23	398.47	5.91	-122.32
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=N1	REAL300019992996	1	46	-2.0	-128.26	398.42	5.90	-122.36
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=N1	REAL300019993003	0	43	-2.0	-121.56	384.95	5.21	-116.35
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=N1	REAL300019993003	1	43	-2.0	-121.61	384.88	5.19	-116.42
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019993132	0	35	-2.0	-119.18	320.26	5.75	-113.43
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019993132	1	35	-2.0	-119.19	320.21	5.73	-113.46
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019993146	0	35	-2.0	-88.97	324.65	3.53	-85.44
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300019993146	1	35	-2.0	-88.96	324.59	3.52	-85.44
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(Br)C([O-])=C1	REAL300019993347	1	33	-2.0	-94.33	316.87	3.52	-90.81
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C(Br)C([O-])=C1	REAL300019993347	1	33	-2.0	-94.35	316.82	3.51	-90.84
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=C(F)C=CC=C1F	REAL300019993484	1	35	-2.0	-127.53	330.23	3.99	-123.54
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C([O-])C(F)=C1	REAL300019993578	1	33	-2.0	-94.78	302.65	2.97	-91.81
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C([O-])C(F)=C1	REAL300019993578	1	33	-2.0	-94.77	302.59	2.95	-91.82
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=NC=CC(Cl)=C1[O-]	REAL300019993588	0	32	-2.0	-113.21	307.71	3.30	-109.91
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=NC=CC(Cl)=C1[O-]	REAL300019993588	1	32	-2.0	-113.23	307.65	3.29	-109.94
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019993599	0	35	-2.0	-94.55	322.42	4.70	-89.85
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019993599	1	35	-2.0	-94.56	322.37	4.69	-89.87
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019993659	0	35	-2.0	-107.52	322.46	5.15	-102.37
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019993659	1	35	-2.0	-107.54	322.40	5.13	-102.41
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=NC=CS1	REAL300019993682	1	31	-2.0	-124.52	306.72	1.33	-123.19
N#CC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C=C1[O-]	REAL300019993735	1	34	-2.0	-92.96	316.62	3.31	-89.65
N#CC1=CC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C=C1[O-]	REAL300019993735	1	34	-2.0	-92.96	316.56	3.30	-89.66
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300019993772	1	34	-2.0	-88.91	316.62	2.37	-86.54
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300019993772	1	34	-2.0	-88.86	316.56	2.36	-86.50
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C([O-])C=CC=C1F	REAL300019993777	1	33	-2.0	-120.99	306.18	2.83	-118.16
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C([O-])C=CC=C1F	REAL300019993777	1	33	-2.0	-121.04	306.13	2.81	-118.23
N#CC1=CC([O-])=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=C1	REAL300019993793	1	34	-2.0	-90.79	317.32	3.24	-87.55
N#CC1=CC([O-])=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=C1	REAL300019993793	1	34	-2.0	-90.77	317.26	3.23	-87.54
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019993816	0	37	-2.0	-92.22	332.16	2.91	-89.31
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019993816	1	37	-2.0	-92.19	332.10	2.90	-89.29
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019993817	0	33	-2.0	-91.61	318.64	3.52	-88.09
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019993817	1	33	-2.0	-91.63	318.58	3.50	-88.13
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019993846	1	35	-2.0	-100.56	329.47	5.76	-94.80
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019993846	1	35	-2.0	-100.56	329.41	5.75	-94.81
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019993858	1	35	-2.0	-92.32	316.77	2.74	-89.58
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019993858	1	35	-2.0	-92.30	316.72	2.72	-89.58
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019994125	0	35	-2.0	-95.29	329.53	2.27	-93.02
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019994125	1	35	-2.0	-95.31	329.47	2.26	-93.05
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019994394	0	38	-2.0	-100.54	339.25	2.41	-98.13
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300019994394	1	38	-2.0	-100.59	339.19	2.39	-98.20
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019994533	0	36	-2.0	-115.18	331.71	5.52	-109.66
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019994533	1	36	-2.0	-115.20	331.65	5.51	-109.69
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019994534	0	38	-2.0	-99.92	345.67	2.63	-97.29
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019994534	1	38	-2.0	-99.92	345.61	2.61	-97.31
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300019994561	1	35	-2.0	-119.31	348.44	4.75	-114.56
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019994584	0	35	-2.0	-109.15	336.98	6.26	-102.89
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019994584	1	35	-2.0	-109.16	336.92	6.25	-102.91
O=C(CCCC1=N[N-]N=N1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019994644	0	36	-2.0	-99.56	321.60	1.80	-97.76
O=C(CCCC1=N[N-]N=N1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019994644	1	36	-2.0	-99.56	321.54	1.79	-97.77
O=C(CCCC1=NN=N[N-]1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019994644	1	36	-2.0	-99.57	321.66	1.82	-97.75
O=C(CCCC1=NN=N[N-]1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019994644	1	36	-2.0	-99.59	321.60	1.80	-97.79
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019994800	0	36	-2.0	-85.89	332.21	1.61	-84.28
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019994800	1	36	-2.0	-85.88	332.14	1.61	-84.27
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019994800	1	36	-2.0	-85.87	332.16	1.59	-84.28
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019994800	1	36	-2.0	-85.87	332.09	1.59	-84.28
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019994853	1	40	-2.0	-125.58	350.33	3.96	-121.62
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019994853	1	40	-2.0	-125.56	350.27	3.95	-121.61
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C=N1	REAL300019994912	0	39	-2.0	-98.32	357.89	1.06	-97.26
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C=N1	REAL300019994912	1	39	-2.0	-98.34	357.83	1.05	-97.29
N#CC1=CN(CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C(=O)[N-]C1=O	REAL300019994956	0	36	-2.0	-101.34	339.89	0.13	-101.21
N#CC1=CN(CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C(=O)[N-]C1=O	REAL300019994956	1	36	-2.0	-101.29	339.83	0.11	-101.18
O=C([N-]CC1=CC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)O1)C(F)(F)F	REAL300019995073	0	39	-2.0	-88.07	372.05	0.93	-87.14
O=C([N-]CC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)O1)C(F)(F)F	REAL300019995073	1	39	-2.0	-88.06	372.11	0.95	-87.11
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019995179	0	33	-2.0	-111.48	321.78	5.18	-106.30
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019995179	1	33	-2.0	-111.47	321.72	5.16	-106.31
CC1=CC(C(F)(F)C(=O)[N-]C(C2=N[N-]N=N2)C2=CC=CC=C2)=CN=C1Cl	REAL300019995500	1	37	-2.0	-113.05	352.00	3.21	-109.84
COC1=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019995518	0	39	-2.0	-94.29	351.61	4.52	-89.77
COC1=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019995518	1	39	-2.0	-94.28	351.55	4.50	-89.78
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CSC=N1	REAL300019995585	1	31	-2.0	-124.76	305.27	1.64	-123.12
COC(=O)C1=CC2=C(C=C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)O2)[N-]1	REAL300019995624	1	39	-2.0	-92.89	357.92	3.21	-89.68
COC(=O)C1=CC2=C(C=C(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)O2)[N-]1	REAL300019995624	1	39	-2.0	-92.90	357.86	3.20	-89.70
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019995659	0	33	-2.0	-110.13	306.90	4.61	-105.52
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019995659	1	33	-2.0	-110.11	306.84	4.60	-105.51
CC1=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019995877	0	38	-2.0	-91.66	342.47	5.41	-86.25
CC1=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300019995877	1	38	-2.0	-91.62	342.41	5.40	-86.22
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CC=C(F)C=C1F	REAL300019995962	1	35	-2.0	-117.76	332.37	4.03	-113.73
N#CC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C(=O)[N-]1	REAL300019995982	0	33	-2.0	-96.71	309.51	1.38	-95.33
N#CC1=CC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C(=O)[N-]1	REAL300019995982	1	33	-2.0	-96.71	309.45	1.36	-95.35
O=C(CCCC1=N[N-]N=N1)NN=C1[N-]C(C2=CC=CN=C2)=NO1	REAL300019997384	0	34	-2.0	-96.89	316.94	-0.78	-97.67
O=C(CCCC1=NN=N[N-]1)NN=C1[N-]C(C2=CC=CN=C2)=NO1	REAL300019997384	1	34	-2.0	-96.91	317.00	-0.77	-97.68
O=C(CCCC1=N[N-]N=N1)NN=C1[N-]C(C2=CC=CC=C2)=NO1	REAL300019997385	0	35	-2.0	-98.81	321.96	1.01	-97.80
O=C(CCCC1=NN=N[N-]1)NN=C1[N-]C(C2=CC=CC=C2)=NO1	REAL300019997385	1	35	-2.0	-98.83	322.02	1.02	-97.81
O=C([N-]NC(=O)C(=O)N1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997615	0	36	-2.0	-92.43	325.39	-1.10	-93.53
O=C([N-]NC(=O)C(=O)N1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997615	1	36	-2.0	-92.42	325.46	-1.09	-93.51
N#CC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019997702	0	33	-2.0	-90.69	321.78	1.55	-89.14
N#CC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019997702	1	33	-2.0	-90.65	321.85	1.55	-89.10
CCN1C(=O)C2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2[N-]C1=S	REAL300019998013	0	41	-2.0	-86.25	368.36	6.19	-80.06
CCN1C(=O)C2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2[N-]C1=S	REAL300019998013	1	41	-2.0	-86.24	368.40	6.18	-80.06
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019998149	1	36	-2.0	-103.87	316.70	6.68	-97.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019998149	1	36	-2.0	-103.87	316.75	6.68	-97.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Br)=CC=C1[O-]	REAL300019998199	1	30	-2.0	-94.61	293.08	4.96	-89.65
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Br)=CC=C1[O-]	REAL300019998199	1	30	-2.0	-94.60	293.13	4.97	-89.63
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019998200	0	30	-2.0	-94.75	288.52	4.85	-89.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019998200	1	30	-2.0	-94.70	288.56	4.86	-89.84
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019998361	1	42	-2.0	-103.21	377.59	7.79	-95.42
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019998361	1	42	-2.0	-103.26	377.65	7.79	-95.47
O=C(CCN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019998363	1	39	-2.0	-92.08	369.72	6.79	-85.29
O=C(CCN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019998363	1	39	-2.0	-92.10	369.76	6.78	-85.32
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019998388	0	32	-2.0	-82.77	299.94	4.61	-78.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019998388	1	32	-2.0	-82.80	299.98	4.60	-78.20
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019998445	0	30	-2.0	-97.34	288.53	4.86	-92.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019998445	1	30	-2.0	-97.33	288.49	4.86	-92.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019998446	0	30	-2.0	-82.20	289.96	3.39	-78.81
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019998446	1	30	-2.0	-82.22	289.91	3.39	-78.83
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019998472	0	41	-2.0	-88.82	371.89	6.15	-82.67
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019998472	1	41	-2.0	-88.80	371.94	6.15	-82.65
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019998555	1	36	-2.0	-106.54	317.84	6.63	-99.91
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300019998555	1	36	-2.0	-106.50	317.52	6.63	-99.87
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019998593	1	42	-2.0	-102.79	377.83	7.80	-94.99
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019998593	1	42	-2.0	-102.82	377.77	7.80	-95.02
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019998594	1	36	-2.0	-99.18	349.37	6.28	-92.90
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019998594	1	36	-2.0	-99.21	349.32	6.29	-92.92
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019998630	0	35	-2.0	-85.34	330.53	3.54	-81.80
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019998630	1	35	-2.0	-85.32	330.58	3.54	-81.78
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019998873	0	37	-2.0	-100.56	352.54	1.17	-99.39
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019998873	1	37	-2.0	-100.51	352.58	1.17	-99.34
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019999004	1	43	-2.0	-80.93	380.42	1.20	-79.73
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019999004	1	43	-2.0	-80.89	380.37	1.20	-79.69
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019999012	1	34	-2.0	-80.78	326.78	-1.34	-82.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300019999012	1	34	-2.0	-80.79	326.73	-1.34	-82.13
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Br)C=C1[O-]	REAL300019999437	0	30	-2.0	-97.19	293.06	4.97	-92.22
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Br)C=C1[O-]	REAL300019999437	1	30	-2.0	-97.19	293.10	4.97	-92.22
CC1=NC2=CC(=O)[N-]N2C(C)=C1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019999535	1	44	-2.0	-99.32	375.27	3.56	-95.76
CC1=NC2=CC(=O)[N-]N2C(C)=C1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019999535	1	44	-2.0	-99.33	375.31	3.55	-95.78
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019999752	1	41	-2.0	-111.49	354.52	2.78	-108.71
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Br)=C1[O-]	REAL300019999769	0	30	-2.0	-97.43	292.23	4.98	-92.45
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Br)=C1[O-]	REAL300019999769	1	30	-2.0	-97.40	291.91	4.97	-92.43
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019999846	0	37	-2.0	-108.04	339.21	4.27	-103.77
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019999846	1	37	-2.0	-108.03	339.25	4.26	-103.77
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019999860	0	34	-2.0	-95.07	316.18	1.78	-93.29
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019999860	1	34	-2.0	-95.07	316.23	1.77	-93.30
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300019999865	0	35	-2.0	-85.08	323.20	2.59	-82.49
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300019999865	1	35	-2.0	-85.03	323.16	2.60	-82.43
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC(Cl)=C1[O-]	REAL300019999946	0	30	-2.0	-90.69	293.91	4.93	-85.76
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC(Cl)=C1[O-]	REAL300019999946	1	30	-2.0	-90.77	294.24	4.93	-85.84
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=N2)=C1	REAL300020000018	0	46	-2.0	-104.81	394.71	6.04	-98.77
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=N2)=C1	REAL300020000018	1	46	-2.0	-104.84	394.67	6.04	-98.80
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C([O-])=C1	REAL300020000093	1	47	-2.0	-111.56	393.51	4.62	-106.94
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C([O-])=C1	REAL300020000093	1	47	-2.0	-111.55	393.56	4.61	-106.94
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=N2)C=C1	REAL300020000140	0	46	-2.0	-104.19	394.94	6.03	-98.16
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=N2)C=C1	REAL300020000140	1	46	-2.0	-104.19	394.89	6.03	-98.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Br)=CC(Cl)=C1[O-]	REAL300020000142	0	30	-2.0	-91.37	308.80	5.49	-85.88
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Br)=CC(Cl)=C1[O-]	REAL300020000142	1	30	-2.0	-91.42	309.12	5.49	-85.93
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C=C(Cl)C=C1Cl	REAL300020000152	0	30	-2.0	-86.78	309.59	3.68	-83.10
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C=C(Cl)C=C1Cl	REAL300020000152	1	30	-2.0	-86.78	309.62	3.67	-83.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020000167	0	36	-2.0	-97.03	331.02	7.09	-89.94
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020000167	1	36	-2.0	-97.02	330.98	7.09	-89.93
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300020000231	0	40	-2.0	-97.89	361.91	8.30	-89.59
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300020000231	1	40	-2.0	-97.92	361.96	8.30	-89.62
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC(Br)=C1[O-]	REAL300020000279	0	30	-2.0	-90.67	308.62	5.49	-85.18
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC(Br)=C1[O-]	REAL300020000279	1	30	-2.0	-90.76	308.95	5.49	-85.27
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300020000318	0	43	-2.0	-106.71	375.80	5.87	-100.84
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300020000318	1	43	-2.0	-106.73	375.84	5.86	-100.87
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300020000333	0	40	-2.0	-101.60	362.41	5.13	-96.47
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300020000333	1	40	-2.0	-101.63	362.37	5.13	-96.50
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020000495	0	32	-2.0	-105.26	297.80	5.60	-99.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020000495	1	32	-2.0	-105.28	297.84	5.60	-99.68
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020000512	0	32	-2.0	-78.45	302.16	3.47	-74.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020000512	1	32	-2.0	-78.41	302.20	3.47	-74.94
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1[O-]	REAL300020000850	0	30	-2.0	-98.47	287.52	4.87	-93.60
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1[O-]	REAL300020000850	1	30	-2.0	-98.54	287.84	4.87	-93.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=CC(Cl)=C1[O-]	REAL300020001059	0	29	-2.0	-93.87	285.19	3.15	-90.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=CC(Cl)=C1[O-]	REAL300020001059	1	29	-2.0	-93.89	285.23	3.14	-90.75
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020001067	0	41	-2.0	-99.90	368.05	2.30	-97.60
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020001067	1	41	-2.0	-99.88	368.09	2.30	-97.58
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020001073	0	32	-2.0	-87.75	299.89	4.63	-83.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020001073	1	32	-2.0	-87.74	299.93	4.63	-83.11
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020001088	0	38	-2.0	-82.86	337.77	1.66	-81.20
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020001088	1	38	-2.0	-82.86	337.82	1.65	-81.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020001150	0	32	-2.0	-94.06	299.64	5.01	-89.05
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020001150	1	32	-2.0	-94.10	299.97	5.01	-89.09
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020001182	0	35	-2.0	-74.66	319.02	0.70	-73.96
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020001182	1	35	-2.0	-74.61	319.07	0.70	-73.91
N#CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1[O-]	REAL300020001253	0	31	-2.0	-91.52	294.10	3.27	-88.25
N#CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1[O-]	REAL300020001253	1	31	-2.0	-91.51	294.14	3.26	-88.25
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020001326	1	31	-2.0	-79.26	294.81	3.18	-76.08
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020001326	1	31	-2.0	-79.21	294.85	3.18	-76.03
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300020001355	0	30	-2.0	-82.82	296.14	3.44	-79.38
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300020001355	1	30	-2.0	-82.78	296.18	3.45	-79.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020001393	1	32	-2.0	-96.39	307.01	5.70	-90.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020001393	1	32	-2.0	-96.43	306.97	5.71	-90.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)C1=CC=C([O-])C=C1	REAL300020001404	1	32	-2.0	-84.19	294.00	2.69	-81.50
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)C1=CC=C([O-])C=C1	REAL300020001404	1	32	-2.0	-84.17	294.04	2.68	-81.49
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(F)C=CC([O-])=C1F	REAL300020001594	1	30	-2.0	-86.66	290.07	2.74	-83.92
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(F)C=CC([O-])=C1F	REAL300020001594	1	30	-2.0	-86.69	290.03	2.75	-83.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020001753	0	37	-2.0	-102.90	340.86	4.18	-98.72
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020001753	1	37	-2.0	-102.90	340.82	4.19	-98.71
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300020002069	0	35	-2.0	-85.75	316.77	2.35	-83.40
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300020002069	1	35	-2.0	-85.72	316.81	2.33	-83.39
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020002221	0	33	-2.0	-98.91	309.24	5.37	-93.54
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020002221	1	33	-2.0	-98.93	309.28	5.38	-93.55
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020002222	0	35	-2.0	-94.38	323.20	2.57	-91.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020002222	1	35	-2.0	-94.33	323.24	2.58	-91.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020002271	0	32	-2.0	-95.77	314.51	6.11	-89.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020002271	1	32	-2.0	-95.77	314.55	6.12	-89.65
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300020002594	1	37	-2.0	-105.45	327.81	3.83	-101.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300020002594	1	37	-2.0	-105.46	327.85	3.83	-101.63
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020002655	0	36	-2.0	-86.80	335.42	1.00	-85.80
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020002655	1	36	-2.0	-86.80	335.38	1.00	-85.80
N#CC1=CN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]C1=O	REAL300020002710	0	33	-2.0	-102.78	317.40	0.07	-102.71
N#CC1=CN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]C1=O	REAL300020002710	1	33	-2.0	-102.78	317.44	0.05	-102.73
O=C([N-]CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1)C(F)(F)F	REAL300020002870	0	36	-2.0	-76.68	349.62	0.88	-75.80
O=C([N-]CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1)C(F)(F)F	REAL300020002870	1	36	-2.0	-76.72	349.67	0.88	-75.84
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300020003004	0	30	-2.0	-95.30	298.99	5.02	-90.28
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300020003004	1	30	-2.0	-95.42	299.32	5.03	-90.39
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020003278	0	30	-2.0	-91.47	304.23	5.38	-86.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020003278	1	30	-2.0	-91.52	304.56	5.38	-86.14
COC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020003426	0	36	-2.0	-86.01	329.10	4.44	-81.57
COC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020003426	1	36	-2.0	-86.03	329.14	4.44	-81.59
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020003427	0	30	-2.0	-99.35	293.85	4.90	-94.45
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020003427	1	30	-2.0	-99.33	294.17	4.91	-94.42
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)O2)[N-]1	REAL300020003554	1	36	-2.0	-80.54	335.38	3.17	-77.37
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)O2)[N-]1	REAL300020003554	1	36	-2.0	-80.53	335.43	3.16	-77.37
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300020003601	0	30	-2.0	-94.48	284.44	4.47	-90.01
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300020003601	1	30	-2.0	-94.40	284.11	4.47	-89.93
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020003879	0	35	-2.0	-82.76	320.00	5.34	-77.42
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020003879	1	35	-2.0	-82.75	319.96	5.34	-77.41
N#CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300020004005	0	30	-2.0	-76.51	286.74	1.34	-75.17
N#CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300020004005	1	30	-2.0	-76.49	286.78	1.33	-75.16
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300020005203	0	30	-2.0	-98.74	302.84	2.45	-96.29
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300020005203	1	30	-2.0	-98.71	302.90	2.47	-96.24
O=C([N-]C1=NN=C(C2=CSC=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005204	0	30	-2.0	-89.48	314.29	2.14	-87.34
O=C(CNC(=O)C1=CC=CO1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005387	0	36	-2.0	-91.71	344.17	-2.32	-94.03
O=C(CNC(=O)C1=CC=CO1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005387	1	36	-2.0	-91.73	344.24	-2.32	-94.05
O=C(CNC(=O)C1=CC=CS1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005389	0	36	-2.0	-90.32	352.09	-1.32	-91.64
O=C(CNC(=O)C1=CC=CS1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005389	1	36	-2.0	-90.26	352.16	-1.32	-91.58
O=C(CCC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005561	0	38	-2.0	-91.84	346.99	2.67	-89.17
O=C(CCC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005561	1	38	-2.0	-91.84	347.06	2.68	-89.16
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1	REAL300020005704	0	33	-2.0	-98.08	327.97	3.86	-94.22
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1	REAL300020005704	1	33	-2.0	-98.11	328.03	3.87	-94.24
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005705	0	33	-2.0	-88.50	339.90	3.68	-84.82
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005705	1	33	-2.0	-88.49	339.96	3.71	-84.78
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=C(Cl)C=CC=C1Cl	REAL300020005743	1	32	-2.0	-100.61	324.78	2.22	-98.39
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=C(Cl)C=CC=C1Cl	REAL300020005743	1	32	-2.0	-100.60	324.84	2.23	-98.37
O=C([N-]NC(=O)C1=C(Cl)C=CC=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005744	0	32	-2.0	-98.70	336.24	1.91	-96.79
O=C([N-]NC(=O)C1=C(Cl)C=CC=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005744	1	32	-2.0	-98.71	336.31	1.92	-96.79
CC1=CC=C(C2=NSC([N-]C(=O)CCCC3=NN=N[N-]3)=N2)S1	REAL300020005806	0	33	-2.0	-92.87	323.08	3.55	-89.32
CC1=CC=C(C2=NSC([N-]C(=O)CCCC3=N[N-]N=N3)=N2)S1	REAL300020005806	1	33	-2.0	-92.85	323.03	3.54	-89.31
O=C(CCCC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005832	0	41	-2.0	-93.34	368.49	3.46	-89.88
O=C(CCCC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005832	1	41	-2.0	-93.36	368.56	3.46	-89.90
O=C(CCCC1=NN=N[N-]1)[N-]C1=CC(C2=CC=CC=C2F)=NO1	REAL300020005893	1	34	-2.0	-103.41	311.35	3.37	-100.04
O=C(CCCC1=N[N-]N=N1)[N-]C1=CC(C2=CC=CC=C2F)=NO1	REAL300020005893	1	34	-2.0	-103.38	311.29	3.36	-100.02
CC(C)(C)CC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005897	0	37	-2.0	-90.77	318.78	0.76	-90.01
CC(C)(C)CC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005897	1	37	-2.0	-90.74	318.85	0.76	-89.98
O=C([N-]NC(=O)C1=CC=CC(OC(F)F)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005956	0	36	-2.0	-95.56	340.21	0.73	-94.83
O=C([N-]NC(=O)C1=CC=CC(OC(F)F)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005956	1	36	-2.0	-95.54	340.28	0.72	-94.82
O=C(CCC1=CC=CC=C1O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006054	0	39	-2.0	-93.86	356.84	-0.12	-93.98
O=C(CCC1=CC=CC=C1O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006054	1	39	-2.0	-93.90	356.91	-0.12	-94.02
CC(C)(C)C1=CC=C(C2=NOC([N-]C(=O)CCCC3=NN=N[N-]3)=C2)C=C1	REAL300020006117	1	46	-2.0	-98.07	382.95	5.56	-92.51
CC(C)(C)C1=CC=C(C2=NOC([N-]C(=O)CCCC3=N[N-]N=N3)=C2)C=C1	REAL300020006117	1	46	-2.0	-98.05	382.89	5.55	-92.50
CCN1C(=S)[N-]N=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006123	1	34	-2.0	-83.74	323.73	2.97	-80.77
CC(C)N1C(=S)[N-]N=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300020006191	1	37	-2.0	-87.15	325.04	3.39	-83.76
CC(C)N1C(=S)[N-]N=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300020006191	1	37	-2.0	-87.10	325.10	3.40	-83.70
CC(C)N1C(=S)[N-]N=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006192	1	37	-2.0	-82.67	335.64	3.19	-79.48
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300020006193	1	38	-2.0	-99.78	338.16	-0.22	-100.00
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300020006193	1	38	-2.0	-99.77	338.22	-0.21	-99.98
O=C(NCCNC(=O)C1=NC=CC=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006194	1	38	-2.0	-90.82	348.76	-0.43	-91.25
O=C(NCCNC(=O)C1=NC=CC=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006194	1	38	-2.0	-90.79	348.82	-0.42	-91.21
O=C(CCCC1=N[N-]N=N1)NCC1=N[N-]C(=S)N1C1CC1	REAL300020006195	1	35	-2.0	-87.39	315.03	3.36	-84.03
O=C(CCCC1=NN=N[N-]1)NCC1=N[N-]C(=S)N1C1CC1	REAL300020006195	1	35	-2.0	-87.41	315.09	3.38	-84.03
O=C(NCC1=N[N-]C(=S)N1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006196	1	35	-2.0	-82.98	325.62	3.17	-79.81
CC(C)N1C(=S)[N-]N=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL300020006209	1	40	-2.0	-100.94	347.23	4.02	-96.92
N#CC1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020006220	0	33	-2.0	-94.11	321.82	1.54	-92.57
N#CC1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020006220	1	33	-2.0	-94.10	321.88	1.54	-92.56
CN1C(=S)[N-]N=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006243	1	31	-2.0	-83.22	301.92	2.08	-81.14
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300020006291	0	36	-2.0	-98.05	340.97	4.19	-93.86
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300020006291	1	36	-2.0	-98.01	341.03	4.20	-93.81
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006292	0	36	-2.0	-87.99	352.92	4.03	-83.96
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006292	1	36	-2.0	-88.01	352.99	4.04	-83.97
COC1=CC=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006304	0	36	-2.0	-102.02	328.30	1.71	-100.31
COC1=CC=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006304	1	36	-2.0	-102.01	328.37	1.71	-100.30
O=C(COC1=CC=CC=C1O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006319	0	37	-2.0	-97.56	345.28	-0.55	-98.11
O=C(COC1=CC=CC=C1O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006319	1	37	-2.0	-97.51	345.35	-0.54	-98.05
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=CC(F)=C2)S1	REAL300020006347	0	36	-2.0	-100.59	340.97	4.19	-96.40
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=CC(F)=C2)S1	REAL300020006347	1	36	-2.0	-100.61	341.03	4.20	-96.41
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006348	0	36	-2.0	-89.80	352.92	4.03	-85.77
O=C(CN1C=CC2=CC=CC=C21)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006350	0	39	-2.0	-95.14	358.77	3.34	-91.80
O=C(CN1C=CC2=CC=CC=C21)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006350	1	39	-2.0	-95.16	358.83	3.34	-91.82
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300020006402	0	34	-2.0	-91.77	333.28	4.15	-87.62
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300020006402	1	34	-2.0	-91.74	333.22	4.14	-87.60
CN1C(=S)[N-]N=C1C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020006408	1	41	-2.0	-99.70	349.26	5.61	-94.09
CCN1C(=S)[N-]N=C1C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020006410	1	44	-2.0	-100.44	365.63	6.33	-94.11
O=C(CC1=CC=CN=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006420	0	34	-2.0	-93.26	320.43	0.08	-93.18
O=C(CC1=CC=CN=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006420	1	34	-2.0	-93.25	320.50	0.08	-93.17
O=C([N-]NC(=O)C1=CC=CC2=NC=CC=C12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006432	0	37	-2.0	-95.11	336.78	1.49	-93.62
O=C([N-]NC(=O)C1=CC=CC2=NC=CC=C12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006432	1	37	-2.0	-95.10	336.85	1.51	-93.59
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(CC2=CC=CC=C2)=NS1	REAL300020006470	0	36	-2.0	-89.81	332.88	4.22	-85.59
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(CC2=CC=CC=C2)=NS1	REAL300020006470	1	36	-2.0	-89.80	332.94	4.23	-85.57
O=C([N-]NC(=O)C1CCN(C2=NC=CC=N2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006479	0	45	-2.0	-96.55	389.30	1.96	-94.59
O=C([N-]NC(=O)C1CCN(C2=NC=CC=N2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006479	1	45	-2.0	-96.57	389.37	1.96	-94.61
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2CCCCC2)S1	REAL300020006486	0	42	-2.0	-99.89	356.02	4.38	-95.51
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2CCCCC2)S1	REAL300020006486	1	42	-2.0	-99.91	356.08	4.39	-95.52
O=C([N-]C1=NN=C(CC2CCCCC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006487	0	42	-2.0	-89.84	367.96	4.21	-85.63
O=C(CC1=CC=CC=N1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006488	0	34	-2.0	-98.58	319.04	0.24	-98.34
O=C(CC1=CC=CC=N1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006488	1	34	-2.0	-98.57	319.12	0.24	-98.33
CC(C)(C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020006579	0	41	-2.0	-94.58	356.22	2.77	-91.81
CC(C)(C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020006579	1	41	-2.0	-94.53	356.28	2.77	-91.76
O=C(CC1=CC=CC=C1F)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006630	0	35	-2.0	-95.78	331.02	1.90	-93.88
O=C(CC1=CC=CC=C1F)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006630	1	35	-2.0	-95.75	331.09	1.91	-93.84
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=CC=C2F)S1	REAL300020006648	0	36	-2.0	-104.00	340.14	4.15	-99.85
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=CC=C2F)S1	REAL300020006648	1	36	-2.0	-103.99	340.19	4.17	-99.82
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006649	0	36	-2.0	-90.41	351.97	4.01	-86.40
CC1=CC(C2=NN=C([N-]C(=O)CCCC3=N[N-]N=N3)S2)=CC(C)=C1	REAL300020006686	0	39	-2.0	-102.25	354.05	4.68	-97.57
CC1=CC(C2=NN=C([N-]C(=O)CCCC3=NN=N[N-]3)S2)=CC(C)=C1	REAL300020006686	1	39	-2.0	-102.25	354.10	4.69	-97.56
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)S2)=C1	REAL300020006687	0	39	-2.0	-91.90	365.97	4.50	-87.40
O=C([N-]NC(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006690	0	39	-2.0	-95.14	361.95	2.33	-92.81
O=C([N-]NC(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006690	1	39	-2.0	-95.14	362.01	2.33	-92.81
O=C(CCCC1=N[N-]N=N1)NCCC1=N[N-]C(=S)N1C1CC1	REAL300020006902	1	38	-2.0	-101.38	337.21	3.98	-97.40
O=C(CCCC1=NN=N[N-]1)[N-]C1=CC(C2=CC=CC=C2Br)=NO1	REAL300020006920	1	34	-2.0	-99.92	322.91	4.06	-95.86
O=C(CCCC1=N[N-]N=N1)[N-]C1=CC(C2=CC=CC=C2Br)=NO1	REAL300020006920	1	34	-2.0	-99.89	322.85	4.04	-95.85
O=C(NC1=CC=CC(Cl)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006923	0	29	-2.0	-82.63	286.36	1.72	-80.91
O=C(NC1=CC=CC(Cl)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006923	1	29	-2.0	-82.62	286.43	1.73	-80.89
O=C(CCCC1=N[N-]N=N1)NN=C1[N-]C(C2=CC=C(Cl)C=C2)=NO1	REAL300020006945	0	35	-2.0	-93.44	338.68	1.53	-91.91
O=C(CCCC1=NN=N[N-]1)NN=C1[N-]C(C2=CC=C(Cl)C=C2)=NO1	REAL300020006945	1	35	-2.0	-93.39	338.74	1.54	-91.85
O=C(NN=C1[N-]C(C2=CC=C(Cl)C=C2)=NO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006946	0	35	-2.0	-83.15	349.30	1.31	-81.84
O=C(NN=C1[N-]C(C2=CC=C(Cl)C=C2)=NO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006946	1	35	-2.0	-83.13	349.37	1.32	-81.81
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(Br)=C2)S1	REAL300020006975	0	33	-2.0	-97.98	332.54	3.97	-94.01
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(Br)=C2)S1	REAL300020006975	1	33	-2.0	-98.02	332.59	3.99	-94.03
CC(C)N1C(=S)[N-]N=C1C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020007007	1	47	-2.0	-99.09	383.09	6.75	-92.34
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=N[N-]C(=S)N2C2CC2)C1	REAL300020007009	1	45	-2.0	-99.34	372.93	6.71	-92.63
O=C(CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)[N-]C1=NN=CS1	REAL300020007013	0	42	-2.0	-89.13	362.45	-0.29	-89.42
O=C(CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)[N-]C1=NN=CS1	REAL300020007013	1	42	-2.0	-89.12	362.39	-0.31	-89.43
CCC(C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020007067	0	41	-2.0	-93.34	361.58	2.99	-90.35
CCC(C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020007067	1	41	-2.0	-93.36	361.65	3.00	-90.36
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300020007090	0	33	-2.0	-87.98	316.05	3.90	-84.08
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300020007090	1	33	-2.0	-87.98	315.99	3.89	-84.09
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020007091	0	33	-2.0	-81.06	327.43	3.61	-77.45
CS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020007310	0	35	-2.0	-95.84	320.46	-1.08	-96.92
CS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020007310	1	35	-2.0	-95.87	320.52	-1.07	-96.94
CS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020007311	0	35	-2.0	-90.21	331.04	-1.30	-91.51
CS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020007311	1	35	-2.0	-90.20	331.11	-1.29	-91.49
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300020007555	1	40	-2.0	-102.58	346.96	6.21	-96.37
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300020007555	1	40	-2.0	-102.58	347.02	6.23	-96.35
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Br)=CC=C1[O-]	REAL300020007597	1	34	-2.0	-93.90	323.60	4.49	-89.41
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Br)=CC=C1[O-]	REAL300020007597	1	34	-2.0	-93.90	323.66	4.51	-89.39
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC=C1[O-]	REAL300020007598	0	34	-2.0	-94.04	319.04	4.39	-89.65
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC=C1[O-]	REAL300020007598	1	34	-2.0	-94.05	319.09	4.41	-89.64
CCCC1=N[N-]C(=S)N1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020007710	1	42	-2.0	-99.67	377.97	5.71	-93.96
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020007725	0	36	-2.0	-82.28	330.47	4.13	-78.15
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020007725	1	36	-2.0	-82.30	330.53	4.15	-78.15
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1[O-]	REAL300020007768	0	34	-2.0	-95.64	318.75	4.40	-91.24
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1[O-]	REAL300020007768	1	34	-2.0	-95.64	318.81	4.41	-91.23
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C([O-])C(Cl)=C1	REAL300020007769	0	34	-2.0	-82.17	320.45	2.92	-79.25
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C([O-])C(Cl)=C1	REAL300020007769	1	34	-2.0	-82.19	320.51	2.94	-79.25
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300020007856	1	40	-2.0	-105.78	348.06	6.16	-99.62
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300020007856	1	40	-2.0	-105.82	348.11	6.17	-99.65
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300020007921	0	39	-2.0	-85.17	360.77	3.08	-82.09
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300020007921	1	39	-2.0	-85.15	360.83	3.10	-82.05
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300020008206	1	38	-2.0	-80.73	357.27	-1.80	-82.53
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300020008206	1	38	-2.0	-80.76	357.33	-1.79	-82.55
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(Br)C=C1[O-]	REAL300020008556	0	34	-2.0	-95.47	323.31	4.50	-90.97
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Br)C=C1[O-]	REAL300020008556	1	34	-2.0	-95.46	323.37	4.51	-90.95
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020008799	1	45	-2.0	-109.34	384.77	2.33	-107.01
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020008799	1	45	-2.0	-109.31	384.82	2.34	-106.97
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(Br)=C1[O-]	REAL300020008807	0	34	-2.0	-96.69	322.73	4.52	-92.17
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(Br)=C1[O-]	REAL300020008807	1	34	-2.0	-96.68	322.78	4.53	-92.15
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(=O)N[N-]1	REAL300020008856	0	31	-2.0	-80.65	287.24	-1.14	-81.79
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(=O)N[N-]1	REAL300020008856	1	31	-2.0	-80.67	287.18	-1.15	-81.82
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020008863	0	41	-2.0	-107.26	369.78	3.81	-103.45
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020008863	1	41	-2.0	-107.29	369.72	3.80	-103.49
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020008874	0	38	-2.0	-93.73	346.70	1.32	-92.41
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020008874	1	38	-2.0	-93.74	346.76	1.33	-92.41
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300020008879	0	39	-2.0	-84.18	353.73	2.13	-82.05
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300020008879	1	39	-2.0	-84.16	353.68	2.11	-82.05
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=CC(Cl)=C1[O-]	REAL300020008945	0	34	-2.0	-90.07	324.73	4.48	-85.59
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=CC(Cl)=C1[O-]	REAL300020008945	1	34	-2.0	-90.11	324.79	4.49	-85.62
CCN1[N-]C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC1=O	REAL300020009035	0	37	-2.0	-84.27	331.79	1.51	-82.76
CCN1[N-]C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC1=O	REAL300020009035	1	37	-2.0	-84.27	331.73	1.49	-82.78
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([O-])C=C(Cl)C=C1Cl	REAL300020009125	0	34	-2.0	-86.10	340.40	3.20	-82.90
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([O-])C=C(Cl)C=C1Cl	REAL300020009125	1	34	-2.0	-86.06	340.46	3.21	-82.85
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=CC=C1[O-]	REAL300020009136	1	34	-2.0	-93.36	308.72	3.94	-89.42
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=CC=C1[O-]	REAL300020009136	1	34	-2.0	-93.37	308.78	3.96	-89.41
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020009138	0	40	-2.0	-95.05	361.52	6.63	-88.42
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020009138	1	40	-2.0	-95.05	361.58	6.64	-88.41
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020009425	0	36	-2.0	-103.51	328.33	5.13	-98.38
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020009425	1	36	-2.0	-103.48	328.39	5.15	-98.33
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020009438	0	36	-2.0	-78.44	332.69	2.98	-75.46
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020009438	1	36	-2.0	-78.43	332.75	3.00	-75.43
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1[O-]	REAL300020009672	0	34	-2.0	-95.90	308.43	3.94	-91.96
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1[O-]	REAL300020009672	1	34	-2.0	-95.88	308.48	3.96	-91.92
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1[O-]	REAL300020009731	0	34	-2.0	-97.74	318.34	4.41	-93.33
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1[O-]	REAL300020009731	1	34	-2.0	-97.75	318.39	4.42	-93.33
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NC=CC(Cl)=C1[O-]	REAL300020009905	0	33	-2.0	-92.03	315.51	2.70	-89.33
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NC=CC(Cl)=C1[O-]	REAL300020009905	1	33	-2.0	-92.05	315.45	2.68	-89.37
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020009919	0	36	-2.0	-87.04	330.45	4.16	-82.88
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020009919	1	36	-2.0	-87.06	330.50	4.18	-82.88
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020009925	0	42	-2.0	-82.39	368.39	1.18	-81.21
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020009925	1	42	-2.0	-82.40	368.44	1.20	-81.20
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020009988	0	36	-2.0	-92.58	330.19	4.54	-88.04
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020009988	1	36	-2.0	-92.61	330.24	4.56	-88.05
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020010011	0	39	-2.0	-74.18	349.64	0.27	-73.91
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020010011	1	39	-2.0	-74.18	349.70	0.28	-73.90
N#CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1[O-]	REAL300020010067	0	35	-2.0	-81.42	324.62	2.79	-78.63
N#CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1[O-]	REAL300020010067	1	35	-2.0	-81.40	324.68	2.81	-78.59
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([O-])C=CC=C1F	REAL300020010125	0	34	-2.0	-90.59	314.21	2.31	-88.28
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([O-])C=CC=C1F	REAL300020010125	1	34	-2.0	-90.58	314.26	2.32	-88.26
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020010145	1	35	-2.0	-78.83	325.04	2.73	-76.10
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020010145	1	35	-2.0	-78.85	325.10	2.74	-76.11
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300020010166	0	34	-2.0	-82.76	326.66	2.99	-79.77
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300020010166	1	34	-2.0	-82.73	326.72	3.01	-79.72
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020010201	1	36	-2.0	-96.29	337.21	5.25	-91.04
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020010201	1	36	-2.0	-96.28	337.27	5.27	-91.01
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(=O)C1=CC=C([O-])C=C1	REAL300020010213	1	36	-2.0	-84.39	325.08	2.23	-82.16
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(=O)C1=CC=C([O-])C=C1	REAL300020010213	1	36	-2.0	-84.43	325.02	2.21	-82.22
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(F)C=CC([O-])=C1F	REAL300020010389	1	34	-2.0	-86.64	320.56	2.28	-84.36
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(F)C=CC([O-])=C1F	REAL300020010389	1	34	-2.0	-86.65	320.62	2.29	-84.36
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020010535	0	41	-2.0	-102.60	371.69	3.72	-98.88
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020010535	1	41	-2.0	-102.60	371.63	3.71	-98.89
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300020010849	0	39	-2.0	-85.77	347.34	1.88	-83.89
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300020010849	1	39	-2.0	-85.76	347.28	1.87	-83.89
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020010993	0	37	-2.0	-97.24	339.77	4.92	-92.32
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020010993	1	37	-2.0	-97.22	339.83	4.93	-92.29
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020010994	0	39	-2.0	-93.94	353.72	2.09	-91.85
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020010994	1	39	-2.0	-93.93	353.78	2.11	-91.82
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020011047	0	36	-2.0	-95.17	345.03	5.65	-89.52
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020011047	1	36	-2.0	-95.15	345.09	5.67	-89.48
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011119	0	37	-2.0	-92.69	329.65	1.30	-91.39
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020011119	1	37	-2.0	-92.68	329.60	1.28	-91.40
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011119	1	37	-2.0	-92.68	329.71	1.31	-91.37
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020011119	1	37	-2.0	-92.70	329.66	1.30	-91.40
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300020011342	1	41	-2.0	-104.25	358.05	3.36	-100.89
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300020011342	1	41	-2.0	-104.24	358.11	3.37	-100.87
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020011397	0	40	-2.0	-85.85	365.97	0.55	-85.30
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020011397	1	40	-2.0	-85.82	365.91	0.53	-85.29
N#CC1=CN(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(=O)[N-]C1=O	REAL300020011445	0	37	-2.0	-101.61	347.91	-0.39	-102.00
N#CC1=CN(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(=O)[N-]C1=O	REAL300020011445	1	37	-2.0	-101.63	347.96	-0.38	-102.01
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(=O)N=C[N-]1	REAL300020011627	0	32	-2.0	-82.42	296.03	0.18	-82.24
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(=O)N=C[N-]1	REAL300020011627	1	32	-2.0	-82.45	295.97	0.17	-82.28
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020011919	0	34	-2.0	-90.78	335.06	4.92	-85.86
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020011919	1	34	-2.0	-90.77	335.11	4.93	-85.84
COC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020012045	0	40	-2.0	-85.99	359.34	3.99	-82.00
COC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020012045	1	40	-2.0	-86.00	359.39	4.00	-82.00
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020012046	0	34	-2.0	-98.62	324.40	4.44	-94.18
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020012046	1	34	-2.0	-98.69	324.46	4.45	-94.24
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)O2)[N-]1	REAL300020012152	1	40	-2.0	-80.45	365.63	2.70	-77.75
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)O2)[N-]1	REAL300020012152	1	40	-2.0	-80.44	365.69	2.72	-77.72
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1[O-]	REAL300020012174	0	34	-2.0	-103.16	308.53	3.94	-99.22
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(F)=C1[O-]	REAL300020012174	1	34	-2.0	-103.15	308.59	3.96	-99.19
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300020012197	0	34	-2.0	-94.00	314.93	4.00	-90.00
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300020012197	1	34	-2.0	-93.97	314.99	4.02	-89.95
CC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020012440	0	39	-2.0	-82.27	350.50	4.88	-77.39
CC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020012440	1	39	-2.0	-82.27	350.55	4.89	-77.38
N#CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300020012548	0	34	-2.0	-75.73	317.68	0.89	-74.84
N#CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300020012548	1	34	-2.0	-75.75	317.74	0.90	-74.85
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)=C2	REAL300020012908	1	40	-2.0	-89.51	366.20	2.77	-86.74
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(OCC3=N[N-]N=N3)C=C1)=C2	REAL300020012908	1	40	-2.0	-89.53	366.14	2.75	-86.78
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020013064	0	34	-2.0	-89.39	324.88	4.45	-84.94
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020013064	1	34	-2.0	-89.38	324.93	4.47	-84.91
CC1=CC=C(SC2=NSC([N-]C(=O)CCCC3=NN=N[N-]3)=N2)C=C1	REAL300020014313	0	37	-2.0	-91.88	354.68	4.83	-87.05
CC1=CC=C(SC2=NSC([N-]C(=O)CCCC3=N[N-]N=N3)=N2)C=C1	REAL300020014313	1	37	-2.0	-91.86	354.62	4.82	-87.04
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300020014342	0	35	-2.0	-102.86	321.23	1.85	-101.01
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300020014342	1	35	-2.0	-102.87	321.29	1.87	-101.00
O=C([N-]NC(=O)C1=CC2=CC=CC=C2O1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014343	0	35	-2.0	-95.95	332.20	1.59	-94.36
O=C([N-]NC(=O)C1=CC2=CC=CC=C2O1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014343	1	35	-2.0	-95.95	332.27	1.59	-94.36
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=CC(Cl)=C2)S1	REAL300020014441	0	36	-2.0	-99.78	351.29	4.63	-95.15
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=CC(Cl)=C2)S1	REAL300020014441	1	36	-2.0	-99.72	351.35	4.65	-95.07
O=C([N-]C1=NN=C(CC2=CC=CC(Cl)=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014442	0	36	-2.0	-89.17	363.24	4.47	-84.70
O=C([N-]NC(=O)C1=CC=CC(Br)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014479	0	32	-2.0	-93.13	322.28	1.75	-91.38
O=C([N-]NC(=O)C1=CC=CC(Br)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014479	1	32	-2.0	-93.13	322.34	1.76	-91.37
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CC(Br)=CC=C1[O-]	REAL300020014489	1	33	-2.0	-92.40	318.45	2.35	-90.05
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CC(Br)=CC=C1[O-]	REAL300020014489	1	33	-2.0	-92.43	318.51	2.37	-90.06
N#CC1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020014585	0	30	-2.0	-78.23	291.20	1.59	-76.64
N#CC1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020014585	1	30	-2.0	-78.19	291.27	1.60	-76.59
CC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300020014590	0	32	-2.0	-95.30	307.12	0.02	-95.28
CC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300020014590	1	32	-2.0	-95.29	307.19	0.03	-95.26
O=C(CC1=CC=NC=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014746	0	34	-2.0	-91.99	320.47	0.10	-91.89
O=C(CC1=CC=NC=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014746	1	34	-2.0	-91.97	320.54	0.10	-91.87
O=C([N-]NC(=O)C1=CC=C(Cl)C=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014748	0	32	-2.0	-93.33	322.25	1.74	-91.59
O=C([N-]NC(=O)C1=CC=C(Cl)C=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014748	1	32	-2.0	-93.33	322.32	1.74	-91.59
O=C(CC1=CN2C=CC=CC2=N1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014938	0	38	-2.0	-107.04	351.72	2.47	-104.57
O=C(CC1=CN2C=CC=CC2=N1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014938	1	38	-2.0	-107.05	351.80	2.48	-104.57
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC(Br)=C1[O-]	REAL300020015046	0	29	-2.0	-84.25	296.08	2.56	-81.69
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC(Br)=C1[O-]	REAL300020015046	1	29	-2.0	-84.28	296.14	2.59	-81.69
O=C(NC1=CC(Cl)=CC(Br)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015047	0	29	-2.0	-77.35	307.47	2.34	-75.01
O=C(NC1=CC(Cl)=CC(Br)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015047	1	29	-2.0	-77.34	307.54	2.35	-74.99
O=C([N-]NC(=O)C1=CC(C2=CC=CS2)=NN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015179	0	36	-2.0	-89.77	354.66	0.34	-89.43
O=C([N-]NC(=O)C1=CC(C2=CC=CS2)=NN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015179	1	36	-2.0	-89.77	354.73	0.35	-89.42
O=C([N-]NC(=O)C1=NNC(=O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015217	0	31	-2.0	-88.18	302.85	-3.31	-91.49
O=C([N-]NC(=O)C1=NNC(=O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015217	1	31	-2.0	-88.17	302.92	-3.31	-91.48
O=C(CNC(=O)C1=CC=CN=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015283	0	38	-2.0	-91.38	354.93	-2.08	-93.46
O=C(CNC(=O)C1=CC=CN=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015283	1	38	-2.0	-91.47	355.00	-2.08	-93.55
O=C(CCCC1=N[N-]N=N1)NC1=CC=C2[N-]C(=S)OC2=C1	REAL300020015533	0	31	-2.0	-102.40	293.83	0.66	-101.74
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2[N-]C(=S)OC2=C1	REAL300020015533	1	31	-2.0	-102.41	293.88	0.67	-101.74
O=C(NC1=CC=C2[N-]C(=S)OC2=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015534	0	31	-2.0	-78.27	304.43	0.44	-77.83
O=C(NC1=CC=C2[N-]C(=S)OC2=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015534	1	31	-2.0	-78.21	304.49	0.45	-77.76
O=C(CCCC1=N[N-]N=N1)NN=C1[N-]C(C(F)(F)F)=CS1	REAL300020015706	0	29	-2.0	-86.95	294.31	1.98	-84.97
O=C(CCCC1=NN=N[N-]1)NN=C1[N-]C(C(F)(F)F)=CS1	REAL300020015706	1	29	-2.0	-86.92	294.37	1.99	-84.93
O=C(CCCC1=NN=N[N-]1)[N-]C1=CC(C2=CC=C(Br)O2)=NO1	REAL300020015770	1	31	-2.0	-92.17	311.34	2.11	-90.06
O=C(CCCC1=N[N-]N=N1)[N-]C1=CC(C2=CC=C(Br)O2)=NO1	REAL300020015770	1	31	-2.0	-92.20	311.28	2.09	-90.11
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300020015832	0	29	-2.0	-96.05	293.65	1.50	-94.55
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300020015832	1	29	-2.0	-96.07	293.71	1.52	-94.55
O=C([N-]C1=NN=C(CC(F)(F)F)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015833	0	29	-2.0	-86.35	305.60	1.34	-85.01
O=C([N-]NC(=O)C(=O)NC1=CC=CC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015903	0	35	-2.0	-95.27	334.42	-0.87	-96.14
O=C([N-]NC(=O)C(=O)NC1=CC=CC=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015903	1	35	-2.0	-95.27	334.48	-0.86	-96.13
O=C([N-]N1CCC2=CC=CC=C2C1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015980	0	36	-2.0	-101.01	321.29	2.63	-98.38
O=C([N-]N1CCC2=CC=CC=C2C1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015980	1	36	-2.0	-101.04	321.35	2.63	-98.41
CN1C(=O)CN([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL300020015995	0	30	-2.0	-84.02	284.28	-1.07	-85.09
CN1C(=O)CN([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL300020015995	1	30	-2.0	-84.00	284.35	-1.06	-85.06
O=C(CCCC1=N[N-]N=N1)NC1=C([O-])C(Cl)=CC(Cl)=C1Cl	REAL300020016059	0	29	-2.0	-90.97	311.91	3.07	-87.90
O=C(CCCC1=NN=N[N-]1)NC1=C([O-])C(Cl)=CC(Cl)=C1Cl	REAL300020016059	1	29	-2.0	-91.02	311.97	3.09	-87.93
O=C(NC1=C([O-])C(Cl)=CC(Cl)=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016060	0	29	-2.0	-80.02	322.51	2.86	-77.16
O=C(NC1=C([O-])C(Cl)=CC(Cl)=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016060	1	29	-2.0	-79.99	322.57	2.87	-77.12
COC1=CC=CC=C1SCC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016080	0	40	-2.0	-96.36	372.83	1.67	-94.69
COC1=CC=CC=C1SCC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016080	1	40	-2.0	-96.33	372.89	1.67	-94.66
O=C(CSC1=CC=CC=C1O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016097	0	37	-2.0	-94.40	354.34	-0.49	-94.89
O=C(CSC1=CC=CC=C1O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016097	1	37	-2.0	-94.39	354.41	-0.49	-94.88
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=CN=C2)=NS1	REAL300020016109	0	32	-2.0	-91.18	304.62	2.06	-89.12
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=CN=C2)=NS1	REAL300020016109	1	32	-2.0	-91.18	304.56	2.04	-89.14
O=C([N-]C1=NC(C2=CC=CN=C2)=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016110	0	32	-2.0	-84.76	316.00	1.77	-82.99
CCOC(=O)C1=C(C(C)C)N=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300020016134	1	42	-2.0	-88.58	370.84	3.90	-84.68
CC(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[N-]C1=NC=CS1	REAL300020016160	1	43	-2.0	-87.15	370.66	2.98	-84.17
CC(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[N-]C1=NC=CS1	REAL300020016160	1	43	-2.0	-87.16	370.61	2.97	-84.19
CC(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[N-]C1=NC=CS1	REAL300020016161	1	43	-2.0	-81.27	381.27	2.79	-78.48
CC(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[N-]C1=NC=CS1	REAL300020016161	1	43	-2.0	-81.31	381.21	2.79	-78.52
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020016162	0	29	-2.0	-84.85	291.69	2.45	-82.40
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020016162	1	29	-2.0	-84.86	291.75	2.46	-82.40
O=C(NC1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016163	0	29	-2.0	-78.03	303.09	2.23	-75.80
O=C(NC1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016163	1	29	-2.0	-78.02	303.15	2.24	-75.78
CC(=O)NC1=CN=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020016253	0	38	-2.0	-105.06	352.40	-1.73	-106.79
CC(=O)NC1=CN=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020016253	1	38	-2.0	-105.08	352.46	-1.73	-106.81
O=C(CCCC1=N[N-]N=N1)NC1=NC(Br)=CC=C1[O-]	REAL300020016346	1	28	-2.0	-89.93	277.04	1.56	-88.37
O=C(CCCC1=NN=N[N-]1)NC1=NC(Br)=CC=C1[O-]	REAL300020016346	1	28	-2.0	-89.94	277.09	1.58	-88.36
O=C(NC1=NC(Br)=CC=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016347	1	28	-2.0	-81.75	287.60	1.36	-80.39
O=C(NC1=NC(Br)=CC=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016347	1	28	-2.0	-81.73	287.67	1.36	-80.37
O=C(NC1=CC=C(F)C=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016410	1	29	-2.0	-80.63	275.95	1.25	-79.38
O=C(NC1=CC=C(F)C=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016410	1	29	-2.0	-80.65	276.02	1.26	-79.39
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=NC=C2)S1	REAL300020016442	0	32	-2.0	-97.29	306.43	1.56	-95.73
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=NC=C2)S1	REAL300020016442	1	32	-2.0	-97.28	306.48	1.58	-95.70
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016443	0	32	-2.0	-87.92	317.87	1.26	-86.66
CCC1=C(C(=O)OC)SC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL300020016489	1	36	-2.0	-87.56	329.05	2.38	-85.18
CC1=NNC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020016505	0	32	-2.0	-89.37	304.74	-1.78	-91.15
CC1=NNC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020016505	1	32	-2.0	-89.36	304.81	-1.76	-91.12
O=C([N-]NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016508	0	39	-2.0	-88.06	368.83	1.28	-86.78
O=C([N-]NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016508	1	39	-2.0	-88.02	368.90	1.29	-86.73
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2)S1	REAL300020016512	0	33	-2.0	-96.11	328.45	4.00	-92.11
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2)S1	REAL300020016512	1	33	-2.0	-96.10	328.50	4.02	-92.08
O=C([N-]C1=NN=C(C2=CC=C(Cl)C=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016513	0	33	-2.0	-86.92	339.89	3.70	-83.22
CCOC(=O)CC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300020016522	0	35	-2.0	-103.27	330.57	2.03	-101.24
CCOC(=O)CC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300020016522	1	35	-2.0	-103.25	330.63	2.05	-101.20
CCOC(=O)CC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020016523	0	35	-2.0	-93.42	342.52	1.87	-91.55
CC(C)(C)OC(=O)NCCC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016581	0	45	-2.0	-95.40	392.10	-1.38	-96.78
CC(C)(C)OC(=O)NCCC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016581	1	45	-2.0	-95.37	392.17	-1.38	-96.75
COCC1=NSC([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020016629	0	30	-2.0	-83.13	296.59	-0.71	-83.84
O=C(CCCC1=N[N-]N=N1)NC1=CC(=O)[N-]N1C1=CC=CC=C1	REAL300020016652	0	36	-2.0	-107.74	317.93	3.15	-104.59
O=C(CCCC1=NN=N[N-]1)NC1=CC(=O)[N-]N1C1=CC=CC=C1	REAL300020016652	1	36	-2.0	-107.75	317.99	3.17	-104.58
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020016734	0	31	-2.0	-84.42	301.68	3.70	-80.72
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020016734	1	31	-2.0	-84.43	301.74	3.71	-80.72
O=C(NC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016735	0	31	-2.0	-78.68	313.08	3.48	-75.20
O=C(NC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016735	1	31	-2.0	-78.64	313.14	3.49	-75.15
CC1=CC(Br)=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020016780	1	32	-2.0	-88.86	301.57	2.72	-86.14
CC1=CC(Br)=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020016781	1	32	-2.0	-82.35	311.34	2.51	-79.84
CC1=CC(Br)=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020016781	1	32	-2.0	-82.34	311.41	2.52	-79.82
CC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020016799	0	34	-2.0	-82.23	310.84	1.61	-80.62
CC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020016799	1	34	-2.0	-82.17	310.90	1.62	-80.55
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=CS2)=NS1	REAL300020016859	0	30	-2.0	-92.21	301.20	2.74	-89.47
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=CS2)=NS1	REAL300020016859	1	30	-2.0	-92.19	301.15	2.73	-89.46
O=C([N-]C1=NC(C2=CC=CS2)=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016860	0	30	-2.0	-85.30	312.59	2.45	-82.85
O=C([N-]C1=NC(C2=CC=CS2)=NS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016860	1	30	-2.0	-85.31	312.65	2.45	-82.86
CC(C)(O)C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020016953	0	33	-2.0	-87.26	316.87	-1.71	-88.97
CC(C)(O)C1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020016953	1	33	-2.0	-87.26	316.94	-1.70	-88.96
COC1=CC=C(C2=NN=C([N-]C(=O)CCCC3=N[N-]N=N3)S2)C=C1	REAL300020017055	0	37	-2.0	-100.07	341.17	2.79	-97.28
COC1=CC=C(C2=NN=C([N-]C(=O)CCCC3=NN=N[N-]3)S2)C=C1	REAL300020017055	1	37	-2.0	-100.07	341.23	2.80	-97.27
COC1=CC=C(C2=NN=C([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)S2)C=C1	REAL300020017056	0	37	-2.0	-90.67	352.61	2.48	-88.19
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300020017094	0	29	-2.0	-92.73	292.51	2.38	-90.35
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300020017094	1	29	-2.0	-92.80	292.57	2.39	-90.41
O=C(NC1=CC(Cl)=C([O-])C(Cl)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017095	0	29	-2.0	-76.89	303.09	2.16	-74.73
O=C(NC1=CC(Cl)=C([O-])C(Cl)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017095	1	29	-2.0	-76.92	303.15	2.17	-74.75
O=C(CCCC1=N[N-]N=N1)NC1=CC(Br)=CC(Cl)=C1[O-]	REAL300020017131	0	29	-2.0	-84.76	296.25	2.55	-82.21
O=C(CCCC1=NN=N[N-]1)NC1=CC(Br)=CC(Cl)=C1[O-]	REAL300020017131	1	29	-2.0	-84.75	296.31	2.57	-82.18
O=C(NC1=CC(Br)=CC(Cl)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017132	0	29	-2.0	-78.04	307.65	2.33	-75.71
O=C(NC1=CC(Br)=CC(Cl)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017132	1	29	-2.0	-78.01	307.72	2.35	-75.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300020018381	1	37	-2.0	-100.04	323.17	4.84	-95.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Br)=CC=C1[O-]	REAL300020018431	1	31	-2.0	-90.98	299.25	3.12	-87.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=CC=C1[O-]	REAL300020018433	0	31	-2.0	-91.01	294.69	3.01	-88.00
CCCC1=N[N-]C(=S)N1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020018565	1	39	-2.0	-97.01	353.92	4.33	-92.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020018588	0	33	-2.0	-81.19	306.11	2.77	-78.42
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Cl)C=C1[O-]	REAL300020018640	0	31	-2.0	-100.84	294.70	3.01	-97.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C([O-])C(Cl)=C1	REAL300020018641	0	31	-2.0	-79.92	296.11	1.55	-78.37
COC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C([O-])=C1	REAL300020018725	1	35	-2.0	-108.08	307.36	1.81	-106.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300020018741	1	37	-2.0	-102.38	323.99	4.76	-97.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300020018810	0	36	-2.0	-82.16	336.70	1.71	-80.45
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=C([N-]C=NC2=O)O1	REAL300020019024	0	35	-2.0	-91.38	323.30	-1.44	-92.82
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020019155	1	35	-2.0	-81.00	332.95	-3.17	-84.17
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C[N-]C2=CC=CC=C2C1=O	REAL300020019173	0	36	-2.0	-83.35	318.55	2.74	-80.61
CC(=O)[N-]C1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300020019176	1	33	-2.0	-76.33	313.27	-0.97	-77.30
COC1=CC=C2C(=O)C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C[N-]C2=C1	REAL300020019258	0	40	-2.0	-83.16	347.82	2.05	-81.11
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300020019318	1	42	-2.0	-102.15	374.96	1.23	-100.92
CC(C)C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C([O-])=C1	REAL300020019417	1	40	-2.0	-107.77	338.10	4.41	-103.36
CS(=O)(=O)NC1=CC=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020019508	1	39	-2.0	-98.56	351.55	-0.81	-99.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C=CC=C1Cl	REAL300020019565	0	31	-2.0	-89.68	299.62	1.30	-88.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Br)C=C1[O-]	REAL300020019580	0	31	-2.0	-100.63	299.26	3.12	-97.51
CN1C2=NC(CCC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=NC2=C([O-])NC1=O	REAL300020019599	0	42	-2.0	-80.35	371.33	-0.93	-81.28
CN1C2=C(N=C(CCC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)[N-]2)C(=O)NC1=O	REAL300020019599	1	42	-2.0	-80.55	371.47	-0.18	-80.73
CN1C2=C([N-]C(CCC(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=N2)C(=O)NC1=O	REAL300020019599	1	42	-2.0	-80.62	371.17	-0.27	-80.89
CC1=NC2=CC(=O)[N-]N2C(C)=C1CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020019679	1	45	-2.0	-97.21	381.45	1.71	-95.50
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020019895	1	42	-2.0	-114.62	360.99	0.93	-113.69
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(Br)=C1[O-]	REAL300020019908	0	31	-2.0	-93.66	298.66	3.13	-90.53
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=N[N-]C2=CC=CC=C2C1=O	REAL300020019979	0	35	-2.0	-92.67	316.70	2.71	-89.96
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020019986	0	38	-2.0	-104.73	345.38	2.43	-102.30
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020019998	0	35	-2.0	-97.24	322.64	-0.07	-97.31
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300020020004	0	36	-2.0	-82.55	329.33	0.74	-81.81
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(F)=CC(Cl)=C1[O-]	REAL300020020079	0	31	-2.0	-87.33	300.67	3.09	-84.24
CC1=CC=CC2=C1[N-]C=C(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2=O	REAL300020020082	0	39	-2.0	-83.90	338.53	3.60	-80.30
CC1=CC(F)=CC2=C1[N-]C=C(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2=O	REAL300020020085	0	39	-2.0	-79.59	344.93	3.67	-75.92
CCN1[N-]C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC1=O	REAL300020020184	0	34	-2.0	-82.52	307.66	0.12	-82.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C=C(Cl)C=C1Cl	REAL300020020292	0	31	-2.0	-89.56	316.06	1.83	-87.73
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(F)=CC=C1[O-]	REAL300020020306	1	31	-2.0	-90.34	284.37	2.55	-87.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020020308	0	37	-2.0	-100.34	337.45	5.25	-95.09
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300020020387	0	38	-2.0	-97.24	347.28	2.35	-94.89
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300020020445	0	31	-2.0	-87.44	292.53	1.13	-86.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020020458	0	44	-2.0	-103.24	382.43	3.99	-99.25
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020020476	0	41	-2.0	-98.13	368.30	3.32	-94.81
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020020644	0	33	-2.0	-100.96	303.97	3.75	-97.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020020660	0	33	-2.0	-76.41	308.33	1.63	-74.78
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CO1	REAL300020020806	1	35	-2.0	-88.20	332.08	-3.19	-91.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Br)C([O-])=C1	REAL300020020923	0	31	-2.0	-79.19	300.53	1.63	-77.56
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C=C1[O-]	REAL300020020938	0	31	-2.0	-101.03	284.38	2.56	-98.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(Cl)=C1[O-]	REAL300020021005	0	31	-2.0	-94.69	294.27	3.03	-91.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C([O-])C(F)=C1	REAL300020021198	1	31	-2.0	-83.06	286.31	1.06	-82.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=CC(Cl)=C1[O-]	REAL300020021211	0	30	-2.0	-90.58	291.66	1.31	-89.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020021225	0	33	-2.0	-84.96	306.08	2.79	-82.17
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020021234	0	39	-2.0	-84.81	343.16	-0.23	-85.04
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020021300	0	33	-2.0	-97.50	306.14	3.16	-94.34
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020021330	0	36	-2.0	-75.53	325.58	-1.11	-76.64
N#CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1[O-]	REAL300020021402	0	32	-2.0	-79.99	300.27	1.41	-78.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(F)C=CC(O)=C1[O-]	REAL300020021414	0	32	-2.0	-91.10	300.86	-1.00	-92.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C[N-]C2=C(F)C=C(F)C=C2C1=O	REAL300020021458	0	36	-2.0	-76.93	331.15	2.91	-74.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C=CC=C1F	REAL300020021462	0	31	-2.0	-90.02	290.13	0.93	-89.09
N#CC1=CC([O-])=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020021484	1	32	-2.0	-77.34	300.97	1.34	-76.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1	REAL300020021487	0	39	-2.0	-86.87	345.17	5.48	-81.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1	REAL300020021487	1	39	-2.0	-86.83	345.12	5.50	-81.33
CC1=CC(C)=C2[N-]C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C(=O)C2=C1	REAL300020021499	0	42	-2.0	-84.63	359.92	4.26	-80.37
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020021517	0	35	-2.0	-82.89	316.67	1.03	-81.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300020021518	0	31	-2.0	-80.94	302.31	1.62	-79.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020021562	1	33	-2.0	-92.82	313.14	3.87	-88.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(=O)C1=CC=C([O-])C=C1	REAL300020021575	1	33	-2.0	-81.67	300.95	0.85	-80.82
CC1=CC=C2[N-]C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C(=O)C2=C1	REAL300020021669	0	39	-2.0	-84.03	339.94	3.41	-80.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(F)C=CC([O-])=C1F	REAL300020021770	1	31	-2.0	-84.81	296.49	0.91	-83.90
CCCCOC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C([O-])=C1	REAL300020021839	1	44	-2.0	-107.57	372.21	4.31	-103.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=N[N-]C([N+](=O)[O-])=C1	REAL300020021886	0	29	-2.0	-72.42	282.86	1.02	-71.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC([N+](=O)[O-])=N[N-]1	REAL300020021886	1	29	-2.0	-72.36	282.96	1.02	-71.34
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300020021922	0	33	-2.0	-87.75	313.18	0.37	-87.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020021925	0	38	-2.0	-99.53	347.56	2.34	-97.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C=NC2=CC=C(Cl)C=C21	REAL300020021946	1	36	-2.0	-86.75	340.81	1.72	-85.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300020022276	0	36	-2.0	-87.31	323.23	0.49	-86.82
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020022443	0	34	-2.0	-94.93	315.41	3.52	-91.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020022444	0	36	-2.0	-90.88	329.37	0.74	-90.14
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C[N-]C2=C(F)C(F)=CC=C2C1=O	REAL300020022483	0	36	-2.0	-78.39	330.94	2.88	-75.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C[N-]C2=C(F)C=CC(F)=C2C1=O	REAL300020022485	0	36	-2.0	-82.75	329.44	2.90	-79.85
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020022499	0	33	-2.0	-91.90	320.96	4.27	-87.63
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020022571	0	34	-2.0	-96.24	305.55	-0.10	-96.34
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020022571	1	34	-2.0	-96.25	305.60	-0.08	-96.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020022764	0	34	-2.0	-75.82	315.90	-0.29	-76.11
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020022764	1	34	-2.0	-75.85	315.84	-0.31	-76.16
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300020022828	1	38	-2.0	-101.43	333.98	1.97	-99.46
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020022886	0	37	-2.0	-84.87	341.54	-0.84	-85.71
CSC1=CC=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020022923	1	35	-2.0	-95.28	318.10	3.50	-91.78
N#CC1=CN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[N-]C1=O	REAL300020022939	0	34	-2.0	-106.25	323.84	-1.78	-108.03
O=C([N-]CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1)C(F)(F)F	REAL300020023101	0	37	-2.0	-75.08	355.79	-0.95	-76.03
O=C(CC1=CC=C([O-])C(Cl)=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020023125	1	34	-2.0	-100.57	321.08	2.19	-98.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300020023228	0	31	-2.0	-91.73	305.75	3.19	-88.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020023499	0	31	-2.0	-88.04	310.98	3.54	-84.50
COC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020023641	0	37	-2.0	-84.02	335.27	2.61	-81.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020023642	0	31	-2.0	-95.40	300.60	3.06	-92.34
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)O2)[N-]1	REAL300020023767	1	37	-2.0	-78.40	341.56	1.32	-77.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C[N-]C2=CC(F)=C(F)C=C2C1=O	REAL300020023786	0	36	-2.0	-74.08	331.23	2.86	-71.22
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(F)=C1[O-]	REAL300020023790	0	31	-2.0	-99.71	284.46	2.56	-97.15
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300020023814	0	31	-2.0	-90.87	290.87	2.62	-88.25
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020024084	0	36	-2.0	-80.91	326.13	3.51	-77.40
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300020025361	0	34	-2.0	-95.11	309.99	1.05	-94.06
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300020025361	1	34	-2.0	-95.09	309.93	1.04	-94.05
O=C(NC1=NC(Cl)=CC=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025382	1	28	-2.0	-81.82	283.01	1.28	-80.54
O=C(NC1=NC(Cl)=CC=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025382	1	28	-2.0	-81.80	283.08	1.28	-80.52
CCOC(C)(OCC)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025389	0	42	-2.0	-94.08	366.36	0.46	-93.62
CCOC(C)(OCC)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025389	1	42	-2.0	-94.09	366.42	0.47	-93.62
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300020025421	0	33	-2.0	-104.33	327.79	4.14	-100.19
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300020025421	1	33	-2.0	-104.37	327.84	4.15	-100.22
O=C(CCCC1=N[N-]N=N1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	REAL300020025534	0	44	-2.0	-83.52	388.60	-0.84	-84.36
O=C(CCCC1=NN=N[N-]1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	REAL300020025534	1	44	-2.0	-83.47	388.66	-0.82	-84.29
CCC1=C([N-]C(=O)CCCC2=NN=N[N-]2)ON=C1C(F)(F)F	REAL300020025563	1	33	-2.0	-87.82	309.38	2.06	-85.76
CCC1=C([N-]C(=O)CCCC2=N[N-]N=N2)ON=C1C(F)(F)F	REAL300020025563	1	33	-2.0	-87.81	309.32	2.05	-85.76
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=C(Cl)C=C2)S1	REAL300020025634	0	36	-2.0	-97.70	351.29	4.64	-93.06
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=C(Cl)C=C2)S1	REAL300020025634	1	36	-2.0	-97.72	351.35	4.66	-93.06
O=C([N-]C1=NN=C(CC2=CC=C(Cl)C=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025635	0	36	-2.0	-87.67	363.24	4.48	-83.19
O=C([N-]C1=NN=C(CC2=CC=C(Cl)C=C2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025635	1	36	-2.0	-87.71	363.31	4.49	-83.22
O=C(NC1=CC(F)=CC(Cl)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025752	0	29	-2.0	-77.59	292.77	1.78	-75.81
O=C(NC1=CC(F)=CC(Cl)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025752	1	29	-2.0	-77.57	292.83	1.79	-75.78
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=N[N-]C(=O)O2)C1	REAL300020026017	0	37	-2.0	-97.97	313.93	-1.93	-99.90
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=N[N-]C(=O)O2)C1	REAL300020026017	1	37	-2.0	-97.95	313.99	-1.92	-99.87
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(C2=N[N-]C(=O)O2)C1	REAL300020026018	0	37	-2.0	-90.28	321.89	-1.71	-91.99
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(C2=N[N-]C(=O)O2)C1	REAL300020026018	1	37	-2.0	-90.19	321.95	-1.70	-91.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026353	0	30	-2.0	-79.02	286.46	-1.81	-80.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026353	1	30	-2.0	-78.98	286.53	-1.80	-80.78
CC(OC1=CC=CC(Cl)=C1)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026398	0	39	-2.0	-94.02	368.68	2.85	-91.17
CC(OC1=CC=CC(Cl)=C1)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026398	1	39	-2.0	-94.03	368.75	2.86	-91.17
O=C([N-]CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1)C(F)(F)F	REAL300020026403	1	41	-2.0	-76.61	361.48	1.81	-74.80
CC1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020026507	0	34	-2.0	-100.07	319.80	0.07	-100.00
CC1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020026507	1	34	-2.0	-100.06	319.87	0.07	-99.99
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300020026510	0	36	-2.0	-97.59	332.98	4.33	-93.26
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300020026510	1	36	-2.0	-97.56	333.04	4.34	-93.22
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020026511	0	36	-2.0	-88.39	344.94	4.14	-84.25
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020026511	1	36	-2.0	-88.33	345.00	4.16	-84.17
O=C([N-]NC(=O)C1CCOC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026568	0	33	-2.0	-92.80	299.61	-1.81	-94.61
O=C([N-]NC(=O)C1CCOC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026568	1	33	-2.0	-92.80	299.68	-1.81	-94.61
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=CC=C2F)=CO1	REAL300020026674	1	34	-2.0	-104.45	311.17	2.00	-102.45
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=CC=C2F)=CO1	REAL300020026674	1	34	-2.0	-104.43	311.12	1.98	-102.45
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2(C3=CC=CC=C3)CC2)S1	REAL300020026758	0	40	-2.0	-102.96	360.04	5.17	-97.79
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2(C3=CC=CC=C3)CC2)S1	REAL300020026758	1	40	-2.0	-102.95	359.99	5.16	-97.79
O=C([N-]C1=NN=C(C2(C3=CC=CC=C3)CC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026759	0	40	-2.0	-93.31	371.87	4.99	-88.32
O=C([N-]C1=NN=C(C2(C3=CC=CC=C3)CC2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026759	1	40	-2.0	-93.29	371.94	5.00	-88.29
CCC1=C(CCNC(=O)CCCC2=N[N-]N=N2)C(=O)N(CC2=CC=CC=C2C)[N-]1	REAL300020026787	0	54	-2.0	-97.54	446.09	6.36	-91.18
CCC1=C(CCNC(=O)CCCC2=NN=N[N-]2)C(=O)N(CC2=CC=CC=C2C)[N-]1	REAL300020026787	1	54	-2.0	-97.55	446.15	6.37	-91.18
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300020026817	0	33	-2.0	-96.82	332.11	3.98	-92.84
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300020026817	1	33	-2.0	-96.79	332.17	3.99	-92.80
CNS(=O)(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1[O-]	REAL300020026844	0	37	-2.0	-93.62	327.93	-1.85	-95.47
CNS(=O)(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1[O-]	REAL300020026844	1	37	-2.0	-93.64	327.98	-1.83	-95.47
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1[O-]	REAL300020026845	0	37	-2.0	-82.73	338.23	-2.06	-84.79
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1[O-]	REAL300020026845	1	37	-2.0	-82.70	338.30	-2.05	-84.75
CCCN([N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC(C)(C)C	REAL300020026968	0	44	-2.0	-86.50	366.97	2.67	-83.83
CCCN([N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC(C)(C)C	REAL300020026968	1	44	-2.0	-86.48	367.03	2.66	-83.82
O=C(CCCC1=N[N-]N=N1)NC1=C([O-])C=C(Br)C=C1Cl	REAL300020026971	1	29	-2.0	-94.12	302.03	2.68	-91.44
O=C(CCCC1=NN=N[N-]1)NC1=C([O-])C=C(Br)C=C1Cl	REAL300020026971	1	29	-2.0	-94.14	302.09	2.69	-91.45
O=C(NC1=C([O-])C=C(Br)C=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026972	1	29	-2.0	-83.24	312.62	2.46	-80.78
O=C(NC1=C([O-])C=C(Br)C=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026972	1	29	-2.0	-83.21	312.69	2.47	-80.74
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL300020026979	0	45	-2.0	-99.36	390.76	1.87	-97.49
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL300020026979	1	45	-2.0	-99.41	390.82	1.89	-97.52
O=C(NC1=CC(Cl)=C([O-])C=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027044	0	29	-2.0	-75.96	292.98	1.70	-74.26
O=C(NC1=CC(Cl)=C([O-])C=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027044	1	29	-2.0	-75.98	293.04	1.74	-74.24
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300020027113	0	37	-2.0	-99.10	357.21	3.16	-95.94
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300020027113	1	37	-2.0	-99.10	357.27	3.17	-95.93
CC1=N[N-]C(=S)N1C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020027136	0	38	-2.0	-92.81	346.09	5.94	-86.87
CC1=N[N-]C(=S)N1C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020027136	1	38	-2.0	-92.83	346.16	5.95	-86.88
CC1=N[N-]C(=S)N1C1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020027137	0	38	-2.0	-91.09	359.28	5.86	-85.23
CC1=N[N-]C(=S)N1C1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020027137	1	38	-2.0	-95.62	359.22	5.85	-89.77
COCC1=C(C(=O)OC)SC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL300020027307	1	37	-2.0	-89.09	341.22	0.69	-88.40
COC(C)C1=NSC([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020027324	0	33	-2.0	-83.43	316.69	-0.11	-83.54
O=C(CCCC1=N[N-]N=N1)N1CCC(C2=N[N-]C(=O)O2)CC1	REAL300020027350	1	37	-2.0	-94.43	314.14	-1.96	-96.39
O=C(CCCC1=NN=N[N-]1)N1CCC(C2=N[N-]C(=O)O2)CC1	REAL300020027350	1	37	-2.0	-94.42	314.20	-1.95	-96.37
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2=N[N-]C(=O)O2)CC1	REAL300020027351	1	37	-2.0	-83.55	321.88	-1.69	-85.24
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2=N[N-]C(=O)O2)CC1	REAL300020027351	1	37	-2.0	-83.54	321.95	-1.69	-85.23
O=C(NC1=CC=C([O-])C(F)=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027418	1	29	-2.0	-79.20	283.06	1.23	-77.97
O=C(NC1=CC=C([O-])C(F)=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027418	1	29	-2.0	-79.21	283.13	1.25	-77.96
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020027424	1	41	-2.0	-103.90	373.06	1.82	-102.08
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020027424	1	41	-2.0	-103.94	373.12	1.84	-102.10
COC(=O)C1=C(C(C)C)N=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300020027499	1	39	-2.0	-88.10	348.98	2.98	-85.12
COC1=CC=CC=C1C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300020027725	0	37	-2.0	-106.27	339.02	3.08	-103.19
COC1=CC=CC=C1C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300020027725	1	37	-2.0	-106.30	339.08	3.09	-103.21
COC1=CC=CC=C1C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020027726	0	37	-2.0	-96.96	350.46	2.76	-94.20
CCC(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020027941	0	37	-2.0	-98.10	321.96	2.70	-95.40
CCC(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020027941	1	37	-2.0	-98.10	322.01	2.72	-95.38
CCC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020027942	0	37	-2.0	-89.22	333.36	2.49	-86.73
CCC(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020027942	1	37	-2.0	-89.26	333.43	2.50	-86.76
O=C([N-]NC(=O)C1CCCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028030	0	36	-2.0	-94.88	319.53	0.28	-94.60
O=C([N-]NC(=O)C1CCCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028030	1	36	-2.0	-94.90	319.60	0.28	-94.62
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCOCC2)S1	REAL300020028121	0	37	-2.0	-100.09	328.03	1.22	-98.87
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCOCC2)S1	REAL300020028121	1	37	-2.0	-100.15	328.09	1.23	-98.92
O=C([N-]C1=NN=C(C2CCOCC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028122	0	37	-2.0	-89.68	339.98	1.06	-88.62
CCN1N=CN([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL300020028183	0	31	-2.0	-86.56	290.68	1.36	-85.20
CCN1N=CN([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL300020028183	1	31	-2.0	-86.54	290.75	1.36	-85.18
O=C(CCCC1=N[N-]N=N1)NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020028428	0	32	-2.0	-86.06	318.32	2.46	-83.60
O=C(CCCC1=NN=N[N-]1)NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020028428	1	32	-2.0	-86.04	318.38	2.47	-83.57
O=C(NCC1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028429	0	32	-2.0	-78.51	328.81	2.27	-76.24
O=C(NCC1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028429	1	32	-2.0	-78.56	328.88	2.27	-76.29
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020028467	1	37	-2.0	-96.07	335.53	-2.44	-98.51
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020028467	1	37	-2.0	-96.10	335.59	-2.43	-98.53
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020028468	1	37	-2.0	-87.21	346.12	-2.66	-89.87
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020028468	1	37	-2.0	-87.21	346.18	-2.65	-89.86
O=C(NC1=CC=C(F)C(F)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028606	0	29	-2.0	-82.25	282.86	1.30	-80.95
O=C(NC1=CC=C(F)C(F)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028606	1	29	-2.0	-82.25	282.92	1.31	-80.94
CN([N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC(C)(C)C	REAL300020028637	0	38	-2.0	-86.07	327.16	1.02	-85.05
CN([N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC(C)(C)C	REAL300020028637	1	38	-2.0	-86.10	327.23	1.03	-85.07
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(COC2=CC=C(Cl)C=C2)S1	REAL300020028892	0	37	-2.0	-97.33	359.77	3.46	-93.87
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(COC2=CC=C(Cl)C=C2)S1	REAL300020028892	1	37	-2.0	-97.27	359.82	3.48	-93.79
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300020028893	0	39	-2.0	-97.57	373.29	5.12	-92.45
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300020028893	1	39	-2.0	-97.61	373.35	5.14	-92.47
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CC=N1	REAL300020029026	0	30	-2.0	-97.84	293.88	-1.34	-99.18
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CC=N1	REAL300020029026	1	30	-2.0	-97.84	293.81	-1.34	-99.18
CN(CC1=N[N-]C(=O)O1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029053	0	30	-2.0	-85.93	281.71	-2.95	-88.88
CN(CC1=N[N-]C(=O)O1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029053	1	30	-2.0	-86.01	281.78	-2.92	-88.93
O=C([N-]NC(=O)C1CCCS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029148	0	33	-2.0	-94.93	310.01	0.51	-94.42
O=C([N-]NC(=O)C1CCCS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029148	1	33	-2.0	-94.90	310.08	0.51	-94.39
CC1OCCC1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029332	0	36	-2.0	-92.83	316.16	-1.16	-93.99
CC1OCCC1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029332	1	36	-2.0	-92.83	316.23	-1.15	-93.98
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=CN=C2Cl)=NS1	REAL300020029393	0	32	-2.0	-93.03	316.93	2.94	-90.09
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=CN=C2Cl)=NS1	REAL300020029393	1	32	-2.0	-93.02	316.87	2.93	-90.09
O=C([N-]C1=NC(C2=CC=CN=C2Cl)=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029394	0	32	-2.0	-87.00	328.31	2.65	-84.35
O=C([N-]C1=NC(C2=CC=CN=C2Cl)=NS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029394	1	32	-2.0	-87.01	328.38	2.65	-84.36
CN(CC1=NC(=O)O[N-]1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029399	0	30	-2.0	-83.53	280.50	0.24	-83.29
CN(CC1=NC(=O)O[N-]1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029399	1	30	-2.0	-83.42	280.57	0.26	-83.16
CSC1=NC(CNC(=O)CCCC2=N[N-]N=N2)=CC(=O)[N-]1	REAL300020029489	1	34	-2.0	-89.84	318.25	-0.49	-90.33
CSC1=NC(CNC(=O)CCCC2=NN=N[N-]2)=CC(=O)[N-]1	REAL300020029489	1	34	-2.0	-89.85	318.30	-0.47	-90.32
CSC1=NC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(=O)[N-]1	REAL300020029490	1	34	-2.0	-81.57	328.84	-0.70	-82.27
CSC1=NC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(=O)[N-]1	REAL300020029490	1	34	-2.0	-81.54	328.91	-0.69	-82.23
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300020029522	1	41	-2.0	-89.68	341.45	2.14	-87.54
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300020029522	1	41	-2.0	-89.68	341.45	2.14	-87.54
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029523	0	41	-2.0	-78.78	349.89	2.24	-76.54
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029523	1	41	-2.0	-78.78	349.89	2.24	-76.54
CN1C=C([C@@H]2OCCC[C@H]2C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300020029982	0	46	-2.0	-92.12	395.55	0.41	-91.71
CN1C=C([C@@H]2OCCC[C@H]2C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300020029982	1	46	-2.0	-92.10	395.61	0.41	-91.69
O=C([N-]NC(=O)C1CC2CCC1O2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030041	0	37	-2.0	-97.03	323.65	-0.68	-97.71
O=C([N-]NC(=O)C1CC2CCC1O2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030041	1	37	-2.0	-97.01	323.72	-0.68	-97.69
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=CC=C2)S1	REAL300020030118	1	36	-2.0	-99.33	334.62	4.13	-95.20
O=C(NC1=NN=C(CC2=CC=CC=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030119	1	36	-2.0	-89.23	346.57	3.97	-85.26
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030119	1	36	-2.0	-89.23	346.57	3.97	-85.26
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=CC=C2C(F)(F)F)=NS1	REAL300020030216	0	36	-2.0	-96.61	339.10	5.26	-91.35
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=CC=C2C(F)(F)F)=NS1	REAL300020030216	1	36	-2.0	-96.60	339.04	5.25	-91.35
O=C([N-]C1=NC(C2CC2)=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030265	0	30	-2.0	-83.42	293.69	1.91	-81.51
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300020030280	0	33	-2.0	-95.12	344.70	4.37	-90.75
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300020030280	1	33	-2.0	-95.13	344.76	4.38	-90.75
CN1C=C(C(=O)[N-]NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL300020030375	0	31	-2.0	-94.02	301.77	-2.46	-96.48
CN1C=C(C(=O)[N-]NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL300020030375	1	31	-2.0	-94.05	301.70	-2.47	-96.52
CC(C)CCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300020030383	0	38	-2.0	-98.42	335.21	3.17	-95.25
CC(C)CCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300020030383	1	38	-2.0	-98.39	335.27	3.19	-95.20
CC(C)CCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020030384	0	38	-2.0	-88.23	347.16	3.01	-85.22
CC1CN(C)CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300020030403	0	41	-2.0	-94.09	356.91	-1.60	-95.69
CC1CN(C)CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300020030403	1	41	-2.0	-94.09	356.97	-1.60	-95.69
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC(=O)N[N-]1	REAL300020030428	1	32	-2.0	-78.19	296.71	-1.61	-79.80
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC(=O)N[N-]1	REAL300020030428	1	32	-2.0	-78.22	296.78	-1.59	-79.81
CC(C)(C)C(=O)NCCCC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030479	0	47	-2.0	-93.77	406.62	0.05	-93.72
CC(C)(C)C(=O)NCCCC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030479	1	47	-2.0	-93.77	406.69	0.05	-93.72
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=CC(Cl)=N1	REAL300020030480	0	31	-2.0	-102.38	304.46	0.10	-102.28
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=CC(Cl)=N1	REAL300020030480	1	31	-2.0	-102.40	304.52	0.11	-102.29
O=C([N-]NC(=O)C1=CC=CC(Cl)=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030481	0	31	-2.0	-97.51	315.06	-0.11	-97.62
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(Cl)=N1	REAL300020030481	1	31	-2.0	-93.20	315.05	-0.11	-93.31
N#CC1=CN(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300020030551	0	36	-2.0	-98.00	327.61	0.34	-97.66
N#CC1=CN(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300020030551	1	36	-2.0	-98.03	327.67	0.35	-97.68
N#CC1=CN(CCNC(=O)CCCC2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300020030782	0	35	-2.0	-100.53	326.47	-1.58	-102.11
N#CC1=CN(CCNC(=O)CCCC2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300020030782	1	35	-2.0	-100.54	326.53	-1.56	-102.10
N#CC1=CN(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[N-]C1=O	REAL300020030783	0	35	-2.0	-85.74	337.06	-1.78	-87.52
N#CC1=CN(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[N-]C1=O	REAL300020030783	1	35	-2.0	-85.70	337.13	-1.77	-87.47
CC1(C2=NSC([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=N2)CC1	REAL300020030796	0	33	-2.0	-84.22	313.45	2.51	-81.71
CC1(C2=NSC([N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=N2)CC1	REAL300020030796	1	33	-2.0	-84.18	313.51	2.52	-81.66
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C=CC2=CC=CO2)S1	REAL300020030928	0	34	-2.0	-98.59	328.26	3.05	-95.54
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C=CC2=CC=CO2)S1	REAL300020030928	1	34	-2.0	-98.61	328.32	3.07	-95.54
O=C([N-]C1=NN=C(C=CC2=CC=CO2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030929	0	34	-2.0	-89.70	339.70	2.75	-86.95
O=C([N-]C1=NC(CC2CC2)=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030988	0	33	-2.0	-82.52	316.02	2.47	-80.05
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300020031031	0	36	-2.0	-98.05	340.97	4.19	-93.86
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300020031031	1	36	-2.0	-98.01	341.03	4.20	-93.81
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031032	0	36	-2.0	-87.99	352.92	4.03	-83.96
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031032	1	36	-2.0	-88.01	352.99	4.04	-83.97
O=C([N-]NC(=O)C1CCC(=O)N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031099	0	33	-2.0	-93.66	307.89	-3.22	-96.88
O=C([N-]NC(=O)C1CCC(=O)N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031099	1	33	-2.0	-93.68	307.96	-3.23	-96.91
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020031105	1	41	-2.0	-99.13	347.77	1.97	-97.16
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020031105	1	41	-2.0	-99.22	347.83	1.98	-97.24
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020031106	0	41	-2.0	-81.73	356.01	2.18	-79.55
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020031106	1	41	-2.0	-81.69	356.07	2.20	-79.49
CC1=CSC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020031134	0	32	-2.0	-94.54	314.75	0.84	-93.70
CC1=CSC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020031134	1	32	-2.0	-94.52	314.82	0.85	-93.67
O=C([N-]NC(=O)C1=CC=CC(F)=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031141	0	31	-2.0	-98.43	304.61	-0.59	-99.02
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(F)=N1	REAL300020031141	1	31	-2.0	-94.09	304.67	-0.58	-94.67
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(F)=N1	REAL300020031141	1	31	-2.0	-94.13	304.60	-0.59	-94.72
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=C([O-])C2=CC=CC=C12	REAL300020031165	1	35	-2.0	-101.07	318.87	4.29	-96.78
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=C([O-])C2=CC=CC=C12	REAL300020031165	1	35	-2.0	-101.10	318.93	4.31	-96.79
CC1C(=O)N([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)N1C	REAL300020031201	0	33	-2.0	-101.55	304.19	1.06	-100.49
CC1C(=O)N([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)N1C	REAL300020031201	1	33	-2.0	-101.57	304.26	1.06	-100.51
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300020031479	0	38	-2.0	-83.82	358.07	1.22	-82.60
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300020031479	1	38	-2.0	-83.82	358.12	1.24	-82.58
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=C(Cl)C=CC=C2Cl)S1	REAL300020031554	0	33	-2.0	-105.01	334.49	4.44	-100.57
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=C(Cl)C=CC=C2Cl)S1	REAL300020031554	1	33	-2.0	-104.97	334.54	4.46	-100.51
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300020031608	0	36	-2.0	-96.04	349.93	4.36	-91.68
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300020031608	1	36	-2.0	-96.01	349.99	4.37	-91.64
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(C(F)(F)F)=C2)S1	REAL300020031609	0	36	-2.0	-100.99	350.28	4.36	-96.63
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(C(F)(F)F)=C2)S1	REAL300020031609	1	36	-2.0	-100.94	350.33	4.37	-96.57
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C(F)(F)C(F)(F)F)S1	REAL300020031610	0	29	-2.0	-88.04	304.63	1.71	-86.33
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C(F)(F)C(F)(F)F)S1	REAL300020031610	1	29	-2.0	-88.05	304.57	1.70	-86.35
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031611	0	29	-2.0	-78.29	316.50	1.52	-76.77
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031611	1	29	-2.0	-78.31	316.57	1.54	-76.77
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=C(F)C=CC=C2F)S1	REAL300020031623	0	33	-2.0	-107.46	319.91	3.60	-103.86
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=C(F)C=CC=C2F)S1	REAL300020031623	1	33	-2.0	-107.48	319.97	3.62	-103.86
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031624	0	33	-2.0	-98.11	331.35	3.29	-94.82
COC(C)(C)C1=NSC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL300020031627	0	36	-2.0	-92.67	318.38	0.68	-91.99
COC(C)(C)C1=NSC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL300020031627	1	36	-2.0	-92.66	318.32	0.67	-91.99
O=C(NC1=CC=CC(F)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031849	1	29	-2.0	-86.76	276.56	1.24	-85.52
O=C(NC1=CC=CC(F)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031849	1	29	-2.0	-86.73	276.63	1.25	-85.48
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCCO2)S1	REAL300020032050	0	34	-2.0	-101.62	310.23	0.61	-101.01
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCCO2)S1	REAL300020032050	1	34	-2.0	-101.61	310.29	0.62	-100.99
O=C([N-]C1=NN=C(C2CCCO2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032051	0	34	-2.0	-91.21	322.18	0.45	-90.76
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020032095	0	38	-2.0	-84.07	333.72	0.61	-83.46
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020032095	1	38	-2.0	-84.11	333.78	0.63	-83.48
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020032096	0	38	-2.0	-76.04	339.86	0.81	-75.23
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020032096	1	38	-2.0	-76.04	339.92	0.81	-75.23
O=C(CCCC1=N[N-]N=N1)N1CC(C[N-]C(=O)C(F)(F)F)C1	REAL300020032166	1	35	-2.0	-81.77	324.79	-0.16	-81.93
O=C([N-]CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1)C(F)(F)F	REAL300020032167	1	35	-2.0	-75.44	332.74	-0.23	-75.67
O=C([N-]CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1)C(F)(F)F	REAL300020032167	1	35	-2.0	-75.45	332.81	-0.21	-75.66
CCOC1CC1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032196	0	36	-2.0	-90.98	331.67	-0.45	-91.43
CCOC1CC1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032196	1	36	-2.0	-90.95	331.74	-0.45	-91.40
O=C([N-]NC(=O)C1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032213	0	36	-2.0	-92.43	317.89	-0.99	-93.42
O=C([N-]NC(=O)C1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032213	1	36	-2.0	-92.45	317.96	-0.99	-93.44
CC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1O	REAL300020032380	0	36	-2.0	-96.50	332.04	-0.97	-97.47
CC1=CC=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1O	REAL300020032380	1	36	-2.0	-96.44	332.11	-0.97	-97.41
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CN=N1	REAL300020032382	0	30	-2.0	-94.26	293.29	-1.63	-95.89
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CN=N1	REAL300020032382	1	30	-2.0	-94.26	293.22	-1.63	-95.89
O=C([N-]NC(=O)C1=CC=CN=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032382	1	30	-2.0	-98.23	293.25	-1.68	-99.91
CN1C=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CC1=O	REAL300020032441	0	35	-2.0	-91.01	325.43	-0.03	-91.04
CN1C=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CC1=O	REAL300020032441	1	35	-2.0	-91.04	325.50	-0.03	-91.07
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NC2=CC=CC=C2S1	REAL300020032619	0	34	-2.0	-104.50	325.49	0.92	-103.58
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NC2=CC=CC=C2S1	REAL300020032619	1	34	-2.0	-104.45	325.55	0.93	-103.52
O=C([N-]NC(=O)C1=NC2=CC=CC=C2S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032620	0	34	-2.0	-98.10	336.38	0.69	-97.41
O=C([N-]NC(=O)C1=NC2=CC=CC=C2S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032620	1	34	-2.0	-98.07	336.44	0.69	-97.38
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300020032781	0	33	-2.0	-109.40	307.87	0.27	-109.13
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300020032781	1	33	-2.0	-109.38	307.93	0.28	-109.10
O=C([N-]NC(=O)C1=C2N=CNC2=NC=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032782	0	33	-2.0	-104.69	318.52	0.06	-104.63
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=C2N=CNC2=NC=N1	REAL300020032782	1	33	-2.0	-100.98	318.46	0.06	-100.92
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NSN=C1	REAL300020032809	0	27	-2.0	-85.01	281.76	-2.82	-87.83
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NSN=C1	REAL300020032809	1	27	-2.0	-85.06	281.69	-2.84	-87.90
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=C(C(F)(F)F)C=C2)=NS1	REAL300020033188	0	36	-2.0	-87.11	348.34	4.84	-82.27
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=C(C(F)(F)F)C=C2)=NS1	REAL300020033188	1	36	-2.0	-87.07	348.28	4.82	-82.25
O=C(CCCC1=N[N-]N=N1)NCCC1=C(F)C=C([O-])C=C1F	REAL300020033298	1	35	-2.0	-91.07	318.65	2.21	-88.86
O=C(CCCC1=NN=N[N-]1)NCCC1=C(F)C=C([O-])C=C1F	REAL300020033298	1	35	-2.0	-91.06	318.71	2.22	-88.84
O=C(NCCC1=C(F)C=C([O-])C=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020033299	1	35	-2.0	-77.15	329.24	2.01	-75.14
O=C(NCCC1=C(F)C=C([O-])C=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020033299	1	35	-2.0	-77.12	329.31	2.02	-75.10
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CN2CCCCC2=N1	REAL300020033532	0	39	-2.0	-111.50	337.34	1.58	-109.92
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CN2CCCCC2=N1	REAL300020033532	1	39	-2.0	-111.52	337.40	1.59	-109.93
O=C([N-]NC(=O)C1=CN2CCCCC2=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020033533	0	39	-2.0	-104.27	348.30	1.33	-102.94
O=C([N-]NC(=O)C1=CN2CCCCC2=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020033533	1	39	-2.0	-104.24	348.37	1.34	-102.90
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NOC=N1	REAL300020033534	0	27	-2.0	-94.73	274.08	-4.00	-98.73
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NOC=N1	REAL300020033534	1	27	-2.0	-94.72	274.01	-4.02	-98.74
O=C([N-]NC(=O)C1=NOC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020033535	0	28	-2.0	-97.10	279.68	-1.58	-98.68
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NOC=C1	REAL300020033535	1	28	-2.0	-93.70	279.30	-1.51	-95.21
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NOC=C1	REAL300020033535	1	28	-2.0	-93.71	279.23	-1.52	-95.23
O=C(NC1=CC(F)=C([O-])C=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020033557	1	29	-2.0	-79.31	292.22	1.76	-77.55
O=C(NC1=CC(F)=C([O-])C=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020033557	1	29	-2.0	-79.34	292.29	1.77	-77.57
O=C([N-]NC(=O)[C@@H]1CCO[C@H]1C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020033655	0	43	-2.0	-93.71	378.88	2.06	-91.65
O=C([N-]NC(=O)[C@@H]1CCO[C@H]1C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020033655	1	43	-2.0	-93.71	378.95	2.06	-91.65
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020033681	0	45	-2.0	-91.92	373.80	0.82	-91.10
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020033681	1	45	-2.0	-91.90	373.86	0.83	-91.07
CN([N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OCC1=CC=CC=C1	REAL300020033915	0	39	-2.0	-86.39	354.04	2.98	-83.41
CN([N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OCC1=CC=CC=C1	REAL300020033915	1	39	-2.0	-86.42	354.11	2.99	-83.43
CN1C=C(C2=NSC([N-]C(=O)CCCC3=NN=N[N-]3)=N2)C=N1	REAL300020034064	0	33	-2.0	-92.44	314.01	1.48	-90.96
CN1C=C(C2=NSC([N-]C(=O)CCCC3=N[N-]N=N3)=N2)C=N1	REAL300020034064	1	33	-2.0	-92.41	313.95	1.46	-90.95
CN1C=C(C2=NSC([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=N2)C=N1	REAL300020034065	0	33	-2.0	-86.06	325.39	1.18	-84.88
CN1C=C(C2=NSC([N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=N2)C=N1	REAL300020034065	1	33	-2.0	-86.02	325.46	1.18	-84.84
O=C(NCC1=CC=CC(Cl)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020034225	1	32	-2.0	-83.62	312.19	1.75	-81.87
O=C(NCC1=CC=CC(Cl)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020034225	1	32	-2.0	-83.59	312.26	1.76	-81.83
O=C([N-]NC(=O)[C@@H]1OCC[C@@H]1C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020034577	0	43	-2.0	-95.95	370.10	3.05	-92.90
O=C([N-]NC(=O)[C@@H]1OCC[C@@H]1C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020034577	1	43	-2.0	-95.88	370.17	3.05	-92.83
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CS1	REAL300020034587	0	28	-2.0	-90.16	288.85	-1.69	-91.85
O=C([N-]NC(=O)C1=NC=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020034587	1	28	-2.0	-94.94	289.11	-1.70	-96.64
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CS1	REAL300020034587	1	28	-2.0	-90.14	288.78	-1.70	-91.84
COC1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020034728	0	36	-2.0	-97.56	330.46	0.44	-97.12
COC1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020034728	1	36	-2.0	-97.55	330.52	0.44	-97.11
CCN([N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC(C)(C)C	REAL300020034831	0	41	-2.0	-85.65	345.47	1.92	-83.73
CCN([N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC(C)(C)C	REAL300020034831	1	41	-2.0	-85.59	345.54	1.93	-83.66
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020035056	0	40	-2.0	-94.88	348.33	-0.62	-95.50
COC[C@@H]1CCO[C@@H]1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035056	1	40	-2.0	-94.85	348.40	-0.61	-95.46
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NNC2=CC=CC=C21	REAL300020035057	0	35	-2.0	-106.33	318.83	0.13	-106.20
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NNC2=CC=CC=C21	REAL300020035057	1	35	-2.0	-106.36	318.89	0.14	-106.22
O=C([N-]NC(=O)C1=C2C=CC=CC2=NN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020035058	0	35	-2.0	-93.01	328.03	-0.12	-93.13
O=C([N-]NC(=O)C1=C2C=CC=CC2=NN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035058	1	35	-2.0	-92.99	328.10	-0.12	-93.11
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020035088	1	41	-2.0	-99.13	347.77	1.97	-97.16
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020035088	1	41	-2.0	-99.22	347.83	1.98	-97.24
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020035089	0	41	-2.0	-81.73	356.01	2.18	-79.55
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020035089	1	41	-2.0	-81.69	356.07	2.20	-79.49
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1[N-]C(=O)C(F)(F)F	REAL300020035101	1	41	-2.0	-99.20	347.92	1.99	-97.21
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1[N-]C(=O)C(F)(F)F	REAL300020035101	1	41	-2.0	-99.19	347.98	2.00	-97.19
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1[N-]C(=O)C(F)(F)F	REAL300020035102	0	41	-2.0	-81.75	355.96	2.17	-79.58
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1[N-]C(=O)C(F)(F)F	REAL300020035102	1	41	-2.0	-81.73	356.03	2.18	-79.55
O=C(CCCC1=N[N-]N=N1)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300020035221	1	31	-2.0	-82.33	294.22	0.08	-82.25
O=C(CCCC1=NN=N[N-]1)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300020035221	1	31	-2.0	-82.36	294.28	0.10	-82.26
O=C(NCC([O-])(C(F)(F)F)C(F)(F)F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020035222	1	31	-2.0	-75.77	305.02	-0.05	-75.82
O=C(NCC([O-])(C(F)(F)F)C(F)(F)F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035222	1	31	-2.0	-75.74	305.08	-0.03	-75.77
C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020035515	1	41	-2.0	-81.39	344.05	1.37	-80.02
C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020035516	1	41	-2.0	-76.70	352.33	1.52	-75.18
C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035516	1	41	-2.0	-76.71	352.39	1.52	-75.19
CC1CC([N-]C(=O)C(F)(F)F)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020035609	1	41	-2.0	-81.10	344.16	1.34	-79.76
CC1CC([N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020035610	1	41	-2.0	-77.47	352.36	1.51	-75.96
CC1CC([N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035610	1	41	-2.0	-77.48	352.43	1.52	-75.96
N#CC1=CC2=C(CCN(C(=O)CCCC3=N[N-]N=N3)C2)[N-]C1=O	REAL300020035763	0	36	-2.0	-89.74	317.52	1.95	-87.79
N#CC1=CC2=C(CCN(C(=O)CCCC3=NN=N[N-]3)C2)[N-]C1=O	REAL300020035763	1	36	-2.0	-89.72	317.58	1.96	-87.76
N#CC1=CC2=C(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)[N-]C1=O	REAL300020035764	0	36	-2.0	-81.22	324.89	2.20	-79.02
N#CC1=CC2=C(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)[N-]C1=O	REAL300020035764	1	36	-2.0	-81.14	324.96	2.21	-78.93
CCC(C)OC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020035835	0	35	-2.0	-85.60	319.00	-0.13	-85.73
CCC(C)OC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035835	1	35	-2.0	-85.57	319.07	-0.13	-85.70
C[C@@H]1CCN(C(=O)CCCC2=N[N-]N=N2)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020036041	1	44	-2.0	-93.70	363.65	3.07	-90.63
C[C@@H]1CCN(C(=O)CCCC2=NN=N[N-]2)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020036041	1	44	-2.0	-93.72	363.71	3.09	-90.63
C[C@@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020036042	0	44	-2.0	-78.11	371.50	3.31	-74.80
C[C@@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020036042	1	44	-2.0	-78.13	371.57	3.33	-74.80
CC(C)(C)OC(=O)N(CCF)[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020036065	0	41	-2.0	-82.82	352.06	2.05	-80.77
CC(C)(C)OC(=O)N(CCF)[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020036065	1	41	-2.0	-82.79	352.13	2.06	-80.73
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1[N-]C(=O)C(F)(F)F	REAL300020036242	1	41	-2.0	-82.02	349.17	1.59	-80.43
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1[N-]C(=O)C(F)(F)F	REAL300020036243	1	41	-2.0	-76.10	354.84	2.35	-73.75
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1[N-]C(=O)C(F)(F)F	REAL300020036243	1	41	-2.0	-76.05	354.92	2.37	-73.68
O=C(CC1=C(F)C=CC=C1F)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020036298	0	35	-2.0	-96.23	336.22	1.92	-94.31
O=C(CC1=C(F)C=CC=C1F)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020036298	1	35	-2.0	-96.23	336.29	1.92	-94.31
O=C([N-]C1=NN=C(C2CCC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020036328	0	33	-2.0	-89.55	313.09	2.30	-87.25
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NS1	REAL300020036361	0	36	-2.0	-90.49	348.68	4.84	-85.65
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NS1	REAL300020036361	1	36	-2.0	-90.48	348.63	4.83	-85.65
COC(=O)CC1=C(C(=O)OC)SC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL300020036412	1	39	-2.0	-92.29	363.11	2.36	-89.93
CN1N=C(C(=O)[N-]NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020036607	0	38	-2.0	-110.12	341.48	1.43	-108.69
CN1N=C(C(=O)[N-]NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020036607	1	38	-2.0	-110.13	341.53	1.44	-108.69
CN1N=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C21	REAL300020036608	0	38	-2.0	-103.99	352.49	1.17	-102.82
CN1N=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C21	REAL300020036608	1	38	-2.0	-103.97	352.55	1.17	-102.80
N#CC1=CC=C(C2=NN=C([N-]C(=O)CCCC3=N[N-]N=N3)S2)C=C1	REAL300020036887	0	34	-2.0	-97.47	331.94	3.74	-93.73
N#CC1=CC=C(C2=NN=C([N-]C(=O)CCCC3=NN=N[N-]3)S2)C=C1	REAL300020036887	1	34	-2.0	-97.51	331.99	3.76	-93.75
N#CC1=CC=C(C2=NN=C([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)S2)C=C1	REAL300020036888	0	34	-2.0	-88.19	343.38	3.45	-84.74
N#CC1=CC=C(C2=NN=C([N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)S2)C=C1	REAL300020036888	1	34	-2.0	-88.20	343.44	3.45	-84.75
COCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020037004	0	30	-2.0	-88.86	298.77	-0.76	-89.62
O=C(CCCC1=N[N-]N=N1)N1CC([N-]C(=O)C(F)(F)F)C1	REAL300020037582	0	32	-2.0	-79.92	303.89	-0.80	-80.72
O=C(CCCC1=NN=N[N-]1)N1CC([N-]C(=O)C(F)(F)F)C1	REAL300020037582	1	32	-2.0	-79.93	303.95	-0.78	-80.71
O=C([N-]C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1)C(F)(F)F	REAL300020037583	0	32	-2.0	-75.51	311.76	-0.77	-76.28
O=C([N-]C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1)C(F)(F)F	REAL300020037583	1	32	-2.0	-75.48	311.82	-0.77	-76.25
O=C([N-]NC(=O)C1=CC2=CC=CC=C2N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020037623	0	36	-2.0	-93.29	334.73	1.13	-92.16
O=C([N-]NC(=O)C1=CC2=CC=CC=C2N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020037623	1	36	-2.0	-93.27	334.79	1.13	-92.14
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300020037981	1	37	-2.0	-117.11	323.18	4.84	-112.27
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Br)=CC=C1[O-]	REAL300020038031	1	31	-2.0	-106.66	299.52	3.12	-103.54
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=CC=C1[O-]	REAL300020038033	0	31	-2.0	-106.68	294.96	3.01	-103.67
CCCC1=N[N-]C(=S)N1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020038165	1	39	-2.0	-114.63	353.91	4.33	-110.30
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020038188	0	33	-2.0	-87.71	306.37	2.75	-84.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Cl)C=C1[O-]	REAL300020038240	0	31	-2.0	-109.81	294.96	3.02	-106.79
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C([O-])C(Cl)=C1	REAL300020038241	0	31	-2.0	-89.09	296.37	1.54	-87.55
COC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C([O-])=C1	REAL300020038325	1	35	-2.0	-114.12	307.63	1.81	-112.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300020038341	1	37	-2.0	-119.97	324.27	4.77	-115.20
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300020038410	0	36	-2.0	-93.66	336.99	1.69	-91.97
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=C([N-]C=NC2=O)O1	REAL300020038624	0	35	-2.0	-87.19	322.67	-1.44	-88.63
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300020038755	1	35	-2.0	-84.90	332.92	-3.17	-88.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C[N-]C2=CC=CC=C2C1=O	REAL300020038773	0	36	-2.0	-90.34	318.83	2.74	-87.60
CC(=O)[N-]C1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300020038776	1	33	-2.0	-84.44	313.24	-0.97	-85.41
COC1=CC=C2C(=O)C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C[N-]C2=C1	REAL300020038858	0	40	-2.0	-90.13	348.08	2.05	-88.08
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300020038918	1	42	-2.0	-110.13	374.68	1.24	-108.89
CC(C)C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C([O-])=C1	REAL300020039017	1	40	-2.0	-117.39	338.38	4.41	-112.98
CS(=O)(=O)NC1=CC=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020039108	1	39	-2.0	-115.49	351.60	-0.79	-116.28
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C=CC=C1Cl	REAL300020039165	0	31	-2.0	-88.08	299.33	1.32	-86.76
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Br)C=C1[O-]	REAL300020039180	0	31	-2.0	-109.68	299.54	3.12	-106.56
CN1C2=NC(CCC(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=NC2=C([O-])NC1=O	REAL300020039199	0	42	-2.0	-79.94	371.40	-0.94	-80.88
CN1C2=C(N=C(CCC(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)[N-]2)C(=O)NC1=O	REAL300020039199	1	42	-2.0	-79.12	371.50	-0.18	-79.30
CN1C2=C([N-]C(CCC(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=N2)C(=O)NC1=O	REAL300020039199	1	42	-2.0	-79.34	371.20	-0.28	-79.62
CC1=NC2=CC(=O)[N-]N2C(C)=C1CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039279	1	45	-2.0	-96.04	381.71	1.71	-94.33
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039495	1	42	-2.0	-102.91	360.97	0.93	-101.98
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(Br)=C1[O-]	REAL300020039508	0	31	-2.0	-109.83	298.65	3.14	-106.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=N[N-]C2=CC=CC=C2C1=O	REAL300020039579	0	35	-2.0	-101.12	316.95	2.71	-98.41
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020039586	0	38	-2.0	-120.20	345.65	2.42	-117.78
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039598	0	35	-2.0	-104.29	322.35	-0.06	-104.35
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300020039604	0	36	-2.0	-89.99	329.61	0.73	-89.26
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(F)=CC(Cl)=C1[O-]	REAL300020039679	0	31	-2.0	-102.30	300.66	3.09	-99.21
CC1=CC=CC2=C1[N-]C=C(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2=O	REAL300020039682	0	39	-2.0	-90.91	338.78	3.60	-87.31
CC1=CC(F)=CC2=C1[N-]C=C(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2=O	REAL300020039685	0	39	-2.0	-86.14	345.21	3.68	-82.46
CCN1[N-]C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC1=O	REAL300020039784	0	34	-2.0	-93.50	307.66	0.11	-93.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C=C(Cl)C=C1Cl	REAL300020039892	0	31	-2.0	-99.51	316.32	1.81	-97.70
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(F)=CC=C1[O-]	REAL300020039906	1	31	-2.0	-105.77	284.64	2.56	-103.21
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020039908	0	37	-2.0	-109.39	337.44	5.25	-104.14
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300020039987	0	38	-2.0	-112.44	347.28	2.35	-110.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300020040045	0	31	-2.0	-92.85	292.79	1.12	-91.73
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300020040058	0	44	-2.0	-118.87	375.23	4.07	-114.80
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300020040076	0	41	-2.0	-113.89	368.83	3.29	-110.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020040244	0	33	-2.0	-118.33	304.26	3.75	-114.58
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020040260	0	33	-2.0	-84.40	308.34	1.62	-82.78
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CO1	REAL300020040406	1	35	-2.0	-99.98	332.37	-3.20	-103.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Br)C([O-])=C1	REAL300020040523	0	31	-2.0	-86.64	300.80	1.61	-85.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C=C1[O-]	REAL300020040538	0	31	-2.0	-109.95	284.65	2.57	-107.38
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(Cl)=C1[O-]	REAL300020040605	0	31	-2.0	-110.87	294.26	3.03	-107.84
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C([O-])C(F)=C1	REAL300020040798	1	31	-2.0	-91.79	286.58	1.05	-90.74
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=CC(Cl)=C1[O-]	REAL300020040811	0	30	-2.0	-105.62	291.65	1.31	-104.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020040825	0	33	-2.0	-95.56	306.35	2.78	-92.78
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020040834	0	39	-2.0	-79.52	344.32	-0.20	-79.72
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020040900	0	33	-2.0	-106.19	306.41	3.17	-103.02
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020040930	0	36	-2.0	-74.56	325.57	-1.11	-75.67
N#CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1[O-]	REAL300020041002	0	32	-2.0	-86.73	300.54	1.41	-85.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(F)C=CC(O)=C1[O-]	REAL300020041014	0	32	-2.0	-101.15	300.86	-0.99	-102.14
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C[N-]C2=C(F)C=C(F)C=C2C1=O	REAL300020041058	0	36	-2.0	-83.45	331.43	2.91	-80.54
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C=CC=C1F	REAL300020041062	0	31	-2.0	-106.38	290.13	0.92	-105.46
N#CC1=CC([O-])=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020041084	1	32	-2.0	-85.09	301.25	1.33	-83.76
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C(=O)C2=CC=CC=C2)N=C[N-]1	REAL300020041087	0	39	-2.0	-99.88	344.80	5.49	-94.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C(=O)C2=CC=CC=C2)[N-]C=N1	REAL300020041087	1	39	-2.0	-99.90	344.75	5.51	-94.39
CC1=CC(C)=C2[N-]C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C(=O)C2=C1	REAL300020041099	0	42	-2.0	-91.62	360.19	4.26	-87.36
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020041117	0	35	-2.0	-89.13	316.52	1.01	-88.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300020041118	0	31	-2.0	-89.56	302.57	1.60	-87.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020041162	1	33	-2.0	-105.72	313.43	3.86	-101.86
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(=O)C1=CC=C([O-])C=C1	REAL300020041175	1	33	-2.0	-92.05	300.97	0.84	-91.21
CC1=CC=C2[N-]C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C(=O)C2=C1	REAL300020041269	0	39	-2.0	-90.95	340.19	3.41	-87.54
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(F)C=CC([O-])=C1F	REAL300020041370	1	31	-2.0	-93.62	296.48	0.91	-92.71
CCCCOC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C([O-])=C1	REAL300020041439	1	44	-2.0	-114.36	372.48	4.33	-110.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=N[N-]C([N+](=O)[O-])=C1	REAL300020041486	0	29	-2.0	-82.04	282.85	1.02	-81.02
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC([N+](=O)[O-])=N[N-]1	REAL300020041486	1	29	-2.0	-81.90	282.95	1.02	-80.88
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300020041522	0	33	-2.0	-99.09	313.47	0.35	-98.74
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020041525	0	38	-2.0	-115.35	347.55	2.34	-113.01
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C=NC2=CC=C(Cl)C=C21	REAL300020041546	1	36	-2.0	-101.13	340.80	1.72	-99.41
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300020041876	0	36	-2.0	-93.46	323.21	0.50	-92.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020042043	0	34	-2.0	-111.57	315.69	3.54	-108.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020042044	0	36	-2.0	-103.67	329.65	0.72	-102.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C[N-]C2=C(F)C(F)=CC=C2C1=O	REAL300020042083	0	36	-2.0	-84.51	330.92	2.91	-81.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C[N-]C2=C(F)C=CC(F)=C2C1=O	REAL300020042085	0	36	-2.0	-89.41	329.65	2.90	-86.51
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020042099	0	33	-2.0	-107.90	320.95	4.27	-103.63
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020042171	0	34	-2.0	-87.54	305.24	-0.09	-87.63
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020042171	1	34	-2.0	-87.54	305.30	-0.07	-87.61
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020042364	0	34	-2.0	-82.60	315.89	-0.29	-82.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020042364	1	34	-2.0	-82.62	315.83	-0.31	-82.93
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300020042428	1	38	-2.0	-118.59	334.27	1.98	-116.61
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020042486	0	37	-2.0	-93.17	341.81	-0.85	-94.02
CSC1=CC=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020042523	1	35	-2.0	-111.26	318.37	3.51	-107.75
N#CC1=CN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)[N-]C1=O	REAL300020042539	0	34	-2.0	-113.20	323.56	-1.77	-114.97
O=C([N-]CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1)C(F)(F)F	REAL300020042701	0	37	-2.0	-80.60	355.79	-0.95	-81.55
O=C(CC1=CC=C([O-])C(Cl)=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020042725	1	34	-2.0	-91.60	321.06	2.19	-89.41
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300020042828	0	31	-2.0	-107.56	305.74	3.19	-104.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020043099	0	31	-2.0	-103.20	310.97	3.54	-99.66
COC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020043241	0	37	-2.0	-91.46	335.55	2.60	-88.86
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020043242	0	31	-2.0	-111.79	300.59	3.06	-108.73
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)O2)[N-]1	REAL300020043367	1	37	-2.0	-87.25	341.83	1.31	-85.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C[N-]C2=CC(F)=C(F)C=C2C1=O	REAL300020043386	0	36	-2.0	-80.30	331.48	2.86	-77.44
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(F)=C1[O-]	REAL300020043390	0	31	-2.0	-116.64	284.45	2.56	-114.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300020043414	0	31	-2.0	-106.44	290.86	2.62	-103.82
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020043684	0	36	-2.0	-88.20	326.42	3.49	-84.71
N#CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)[N-]1	REAL300020043808	0	31	-2.0	-78.67	293.35	-0.53	-79.20
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(C2=CC=CC=C2)C(=O)C=C1[O-]	REAL300020044031	0	40	-2.0	-107.45	358.90	3.00	-104.45
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(C2=CC=CC=C2)C([O-])=CC1=O	REAL300020044031	1	40	-2.0	-103.28	358.99	3.05	-100.23
O=C(CCCC1=N[N-]N=N1)N1CCC([N-]C(=O)C(F)(F)F)CC1	REAL300020045206	1	38	-2.0	-82.15	329.52	0.72	-81.43
O=C([N-]C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1)C(F)(F)F	REAL300020045207	1	38	-2.0	-76.38	337.27	0.98	-75.40
O=C([N-]C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1)C(F)(F)F	REAL300020045207	1	38	-2.0	-76.32	337.34	0.98	-75.34
CC1=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=CO1	REAL300020045277	0	31	-2.0	-96.80	297.98	-3.40	-100.20
CC1=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=CO1	REAL300020045277	1	31	-2.0	-96.73	298.05	-3.39	-100.12
CC1=C(C(=O)[N-]NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=CO1	REAL300020045277	1	31	-2.0	-93.11	297.59	-3.41	-96.52
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=C(Br)C=N1	REAL300020046066	0	31	-2.0	-97.56	308.91	0.28	-97.28
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=C(Br)C=N1	REAL300020046066	1	31	-2.0	-97.59	308.97	0.29	-97.30
O=C([N-]NC(=O)C1=CC=C(Br)C=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020046067	0	31	-2.0	-93.04	319.51	0.07	-92.97
O=C([N-]NC(=O)C1=CC=C(Br)C=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020046067	1	31	-2.0	-93.02	319.58	0.07	-92.95
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Br)C=N1	REAL300020046067	1	31	-2.0	-88.73	319.51	0.07	-88.66
O=C(NC1=C([O-])C=CC(Cl)=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020046102	1	29	-2.0	-83.93	297.76	1.76	-82.17
O=C(NC1=C([O-])C=CC(Cl)=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020046102	1	29	-2.0	-83.94	297.83	1.79	-82.15
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NC=C(Br)C=N1	REAL300020046141	0	30	-2.0	-98.52	304.59	-0.53	-99.05
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NC=C(Br)C=N1	REAL300020046141	1	30	-2.0	-98.49	304.65	-0.51	-99.00
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=C(Br)C=N1	REAL300020046142	0	30	-2.0	-90.31	315.25	-0.74	-91.05
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=C(Br)C=N1	REAL300020046142	1	30	-2.0	-90.26	315.18	-0.74	-91.00
CC1CCC(C[N-]C(=O)C(F)(F)F)N(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020046161	1	44	-2.0	-107.20	361.33	3.22	-103.98
CC1CCC(C[N-]C(=O)C(F)(F)F)N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020046162	1	44	-2.0	-86.21	369.13	3.44	-82.77
CC1CCC(C[N-]C(=O)C(F)(F)F)N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020046162	1	44	-2.0	-86.11	369.20	3.44	-82.67
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020046179	1	40	-2.0	-97.07	354.41	-0.61	-97.68
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020046179	1	40	-2.0	-97.07	354.47	-0.60	-97.67
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020046180	1	40	-2.0	-87.57	365.08	-0.83	-88.40
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020046180	1	40	-2.0	-87.60	365.14	-0.82	-88.42
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020046181	1	40	-2.0	-96.05	356.57	-1.59	-97.64
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020046181	1	40	-2.0	-96.07	356.63	-1.57	-97.64
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020046182	1	40	-2.0	-87.13	367.16	-1.80	-88.93
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020046182	1	40	-2.0	-87.11	367.22	-1.79	-88.90
O=C(CCCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300020046199	1	45	-2.0	-96.63	386.61	-1.01	-97.64
O=C(CCCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300020046199	1	45	-2.0	-96.61	386.67	-1.00	-97.61
COCCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020046513	0	33	-2.0	-86.52	320.27	0.02	-86.50
COCCC1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020046513	1	33	-2.0	-86.54	320.34	0.03	-86.51
CC1=NOC([N-]C(=O)CN2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020046688	1	39	-2.0	-94.36	321.18	0.23	-94.13
CC1=NOC([N-]C(=O)CN2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020046688	1	39	-2.0	-94.34	321.24	0.24	-94.10
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020046741	1	48	-2.0	-96.11	381.80	2.10	-94.01
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020046741	1	48	-2.0	-96.09	381.86	2.11	-93.98
CC1=NOC([N-]C(=O)C(C)N2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020047254	1	42	-2.0	-95.80	332.95	0.43	-95.37
CC1=NOC([N-]C(=O)C(C)N2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047254	1	42	-2.0	-95.81	333.01	0.45	-95.36
CCCCC1=NN=C([N-]C(=O)CN2CCC(CC3=N[N-]N=N3)CC2)S1	REAL300020047932	0	47	-2.0	-97.94	390.07	2.69	-95.25
CCCCC1=NN=C([N-]C(=O)CN2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300020047932	1	47	-2.0	-97.93	390.13	2.70	-95.23
CCCCCC1=NN=C([N-]C(=O)CN2CCC(CC3=N[N-]N=N3)CC2)S1	REAL300020047933	0	50	-2.0	-97.91	411.57	3.47	-94.44
CCCCCC1=NN=C([N-]C(=O)CN2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300020047933	1	50	-2.0	-97.91	411.63	3.49	-94.42
CC(C)CC1=NN=C([N-]C(=O)CN2CCC(CC3=N[N-]N=N3)CC2)S1	REAL300020047934	0	47	-2.0	-98.81	385.55	2.39	-96.42
CC(C)CC1=NN=C([N-]C(=O)CN2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300020047934	1	47	-2.0	-98.76	385.61	2.40	-96.36
CC(C)C1=NN=C([N-]C(=O)CN2CCC(CC3=N[N-]N=N3)CC2)S1	REAL300020047935	0	44	-2.0	-98.27	367.90	1.75	-96.52
CC(C)C1=NN=C([N-]C(=O)CN2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300020047935	1	44	-2.0	-98.26	367.96	1.76	-96.50
CC(C)(C)C1=NN=C([N-]C(=O)CN2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300020047936	0	47	-2.0	-99.64	386.18	2.25	-97.39
CC(C)(C)C1=NN=C([N-]C(=O)CN2CCC(CC3=N[N-]N=N3)CC2)S1	REAL300020047936	1	47	-2.0	-99.63	386.12	2.23	-97.40
O=C(CN1CCC(CC2=NN=N[N-]2)CC1)[N-]C1=NN=CS1	REAL300020048108	0	35	-2.0	-95.33	303.67	-0.31	-95.64
O=C(CN1CCC(CC2=N[N-]N=N2)CC1)[N-]C1=NN=CS1	REAL300020048108	1	35	-2.0	-95.28	303.60	-0.33	-95.61
O=S1(=O)[N-]C(CN2CCC(CC3=N[N-]N=N3)CC2)=NC2=CC=CC=C21	REAL300020048131	0	42	-2.0	-85.09	350.74	1.74	-83.35
O=S1(=O)[N-]C(CN2CCC(CC3=NN=N[N-]3)CC2)=NC2=CC=CC=C21	REAL300020048131	1	42	-2.0	-85.06	350.80	1.75	-83.31
CC1=C(C2=NN=C([N-]C(=O)CN3CCC(CC4=N[N-]N=N4)CC3)O2)SC=C1	REAL300020048252	0	45	-2.0	-102.30	383.20	-1.20	-103.50
CC1=C(C2=NN=C([N-]C(=O)CN3CCC(CC4=NN=N[N-]4)CC3)O2)SC=C1	REAL300020048252	1	45	-2.0	-102.29	383.26	-1.19	-103.48
O=C(CN1CCC(CC2=N[N-]N=N2)CC1)[N-]C1=NN=C(C2=CC=CO2)O1	REAL300020048253	0	42	-2.0	-101.63	356.83	-3.35	-104.98
O=C(CN1CCC(CC2=NN=N[N-]2)CC1)[N-]C1=NN=C(C2=CC=CO2)O1	REAL300020048253	1	42	-2.0	-101.66	356.90	-3.33	-104.99
O=C1C=C(CN2CCC(CC3=N[N-]N=N3)CC2)C2=CC(Cl)=C([O-])C=C2O1	REAL300020048561	1	42	-2.0	-92.28	353.12	4.35	-87.93
O=C1C=C(CN2CCC(CC3=NN=N[N-]3)CC2)C2=CC(Cl)=C([O-])C=C2O1	REAL300020048561	1	42	-2.0	-92.34	353.19	4.37	-87.97
O=[N+]([O-])C1=CC=C([O-])C=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL300020048607	0	39	-2.0	-87.31	320.63	3.55	-83.76
O=[N+]([O-])C1=CC=C([O-])C=C1CN1CCC(CC2=N[N-]N=N2)CC1	REAL300020048841	0	39	-2.0	-87.31	320.63	3.55	-83.76
NC1=NC2=NC(CN3CCC(CC4=NN=N[N-]4)CC3)=CC(=O)N2[N-]1	REAL300020048932	1	40	-2.0	-94.08	331.94	3.82	-90.26
O=C([N-]C1=NC2=CC=CC=C2S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020049559	1	33	-2.0	-116.39	297.05	2.55	-113.84
O=C([N-]C1=NC2=CC=CC=C2S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020049559	1	33	-2.0	-116.42	297.12	2.54	-113.88
CCOC(=O)CC1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020049566	1	39	-2.0	-112.00	345.67	2.12	-109.88
O=C([N-]C1=NC(CN2CCOCC2)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020049657	1	43	-2.0	-105.66	357.65	-1.28	-106.94
CCC(CC)C1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020049663	0	41	-2.0	-117.14	347.42	2.33	-114.81
CCC(CC)C1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020049663	1	41	-2.0	-117.16	347.49	2.33	-114.83
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020049690	0	40	-2.0	-115.30	371.41	3.99	-111.31
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020049690	1	40	-2.0	-115.30	371.48	3.98	-111.32
CCCC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020049704	0	35	-2.0	-114.81	309.61	1.19	-113.62
CCCC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020049704	1	35	-2.0	-114.80	309.67	1.19	-113.61
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020049709	0	36	-2.0	-118.97	324.70	2.67	-116.30
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020049709	1	36	-2.0	-118.97	324.77	2.67	-116.30
CC(C)C1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020049712	1	36	-2.0	-106.18	308.85	1.57	-104.61
CCCCC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020049715	0	38	-2.0	-114.89	331.11	1.97	-112.92
CCCCC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020049715	1	38	-2.0	-114.90	331.17	1.97	-112.93
CCCCCCCCC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020049721	0	50	-2.0	-114.72	417.10	5.10	-109.62
CCCCCCCCC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020049721	1	50	-2.0	-114.75	417.17	5.09	-109.66
COC(=O)CC1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020049744	1	36	-2.0	-111.81	323.81	1.19	-110.62
CCCCCC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020049745	0	41	-2.0	-114.93	352.60	2.76	-112.17
CCCCCC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020049745	1	41	-2.0	-114.91	352.67	2.75	-112.16
CC1CN(CC2=CSC([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)CC(C)O1	REAL300020049827	1	49	-2.0	-105.67	399.00	0.01	-105.66
O=C([N-]C1=NN=C(C(F)(F)F)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020049830	0	29	-2.0	-103.75	286.07	0.09	-103.66
O=C([N-]C1=NN=C(C(F)(F)F)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020049830	1	29	-2.0	-103.77	286.14	0.08	-103.69
COC1=CC=C2N=C([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)SC2=C1	REAL300020049843	1	37	-2.0	-113.95	326.58	1.83	-112.12
COC1=CC=C2N=C([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)SC2=C1	REAL300020049843	1	37	-2.0	-113.93	326.64	1.82	-112.11
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020049858	1	40	-2.0	-115.21	348.99	4.39	-110.82
O=C([N-]C1=NC(C2CC2)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020049860	1	34	-2.0	-106.51	298.47	1.77	-104.74
C=CCSC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020049878	0	34	-2.0	-113.72	324.32	1.53	-112.19
C=CCSC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020049878	1	34	-2.0	-113.71	324.39	1.52	-112.19
CC(C)CC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020049883	0	38	-2.0	-115.53	327.85	1.80	-113.73
CC(C)CC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020049883	1	38	-2.0	-115.48	327.92	1.80	-113.68
CCC(C1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1)C1=CC=CC=C1	REAL300020049936	0	45	-2.0	-118.49	384.36	4.68	-113.81
CCC(C1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1)C1=CC=CC=C1	REAL300020049936	1	45	-2.0	-118.48	384.43	4.67	-113.81
O=C([N-]C1=NN=C(C2=CC=CO2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050048	0	33	-2.0	-115.25	307.80	0.88	-114.37
O=C([N-]C1=NN=C(C2=CC=CO2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050048	1	33	-2.0	-115.26	307.87	0.88	-114.38
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050049	0	36	-2.0	-109.13	323.04	3.14	-105.99
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050049	1	36	-2.0	-109.11	323.10	3.14	-105.97
CC(C)(C)C1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020050078	0	38	-2.0	-117.19	327.16	1.51	-115.68
CC(C)(C)C1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020050078	1	38	-2.0	-117.20	327.23	1.51	-115.69
O=C([N-]C1=NN=C(C2=CSC=C2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050088	0	33	-2.0	-115.37	316.30	1.76	-113.61
O=C([N-]C1=NN=C(C2=CSC=C2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050088	1	33	-2.0	-115.35	316.37	1.75	-113.60
O=C([N-]C1=NN=C(C(F)F)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050112	0	29	-2.0	-107.10	279.77	-0.07	-107.17
O=C([N-]C1=NN=C(C(F)F)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050112	1	29	-2.0	-107.13	279.83	-0.08	-107.21
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051225	1	35	-2.0	-106.31	302.28	-0.10	-106.41
O=C([N-]C1=NC(C2CCC2)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051227	1	37	-2.0	-106.74	314.07	2.24	-104.50
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051228	1	44	-2.0	-108.73	344.49	3.50	-105.23
O=C([N-]C1=NC(C(F)(F)F)=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051254	0	29	-2.0	-94.02	284.06	0.26	-93.76
O=C([N-]C1=NC(C(F)(F)F)=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051254	1	29	-2.0	-94.03	284.12	0.25	-93.78
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020051255	1	36	-2.0	-101.67	310.11	0.38	-101.29
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020051255	1	36	-2.0	-101.71	310.17	0.38	-101.33
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020051282	1	41	-2.0	-115.42	368.59	2.38	-113.04
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020051282	1	41	-2.0	-115.41	368.66	2.38	-113.03
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020051308	0	39	-2.0	-113.97	346.46	3.63	-110.34
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020051308	1	39	-2.0	-113.96	346.53	3.63	-110.33
CC1=C(F)C=C2N=C([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)SC2=C1	REAL300020051320	1	36	-2.0	-113.34	323.76	3.25	-110.09
CC1=C(F)C=C2N=C([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)SC2=C1	REAL300020051320	1	36	-2.0	-113.35	323.83	3.24	-110.11
O=C([N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051352	0	36	-2.0	-113.32	345.56	3.29	-110.03
O=C([N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051352	1	36	-2.0	-113.33	345.62	3.28	-110.05
O=C([N-]C1=NC2=C(Br)C=CC=C2S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051379	1	33	-2.0	-106.29	316.07	2.76	-103.53
O=C([N-]C1=NC2=C(Br)C=CC=C2S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051379	1	33	-2.0	-106.29	316.14	2.76	-103.53
O=C([N-]C1=NC(C2CCOCC2)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051380	1	41	-2.0	-106.09	341.23	1.05	-105.04
COCC1=CN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020051399	1	34	-2.0	-112.21	305.27	-0.01	-112.22
COCC1=CN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020051399	1	34	-2.0	-112.21	305.33	-0.02	-112.23
O=C([N-]C1=C2C=CC=CC2=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051440	1	33	-2.0	-105.50	295.39	1.66	-103.84
O=C([N-]C1=C2C=CC=CC2=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051440	1	33	-2.0	-105.49	295.45	1.66	-103.83
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020051441	0	44	-2.0	-112.95	386.48	1.17	-111.78
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020051441	1	44	-2.0	-112.98	386.54	1.17	-111.81
CC(C)(C)C1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020051447	1	39	-2.0	-106.87	328.41	2.28	-104.59
COC1=CC=CC=C1C1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020051483	0	40	-2.0	-123.72	352.49	2.38	-121.34
COC1=CC=CC=C1C1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020051483	1	40	-2.0	-123.71	352.55	2.38	-121.33
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020051498	1	42	-2.0	-109.62	361.12	2.29	-107.33
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020051498	1	42	-2.0	-109.64	361.18	2.29	-107.35
O=C([N-]C1=NC(CC(F)(F)F)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051522	1	33	-2.0	-103.59	308.19	1.64	-101.95
O=C([N-]C1=NN=C(C2CCOCC2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051535	0	40	-2.0	-117.00	341.50	0.54	-116.46
O=C([N-]C1=NN=C(C2CCOCC2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051535	1	40	-2.0	-117.00	341.56	0.53	-116.47
COC(C)C1=NSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020051557	0	36	-2.0	-105.74	318.71	-0.51	-106.25
COC(C)C1=NSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020051557	1	36	-2.0	-105.75	318.77	-0.51	-106.26
COC1=CC=C(C2=NSC([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)C=C1	REAL300020051558	0	40	-2.0	-107.44	352.49	2.44	-105.00
COC1=CC=C(C2=NSC([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)=N2)C=C1	REAL300020051558	1	40	-2.0	-107.42	352.55	2.44	-104.98
CSC1=CC=C(C2=NSC([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)C=C1	REAL300020051559	0	40	-2.0	-106.82	363.19	4.17	-102.65
CSC1=CC=C(C2=NSC([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)=N2)C=C1	REAL300020051559	1	40	-2.0	-106.80	363.26	4.16	-102.64
CC1=CC=C(SC2=NSC([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)C=C1	REAL300020051560	0	40	-2.0	-106.93	368.08	4.14	-102.79
CC1=CC=C(SC2=NSC([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)=N2)C=C1	REAL300020051560	1	40	-2.0	-106.96	368.15	4.13	-102.83
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020051592	1	45	-2.0	-109.68	382.98	3.21	-106.47
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020051592	1	45	-2.0	-109.67	383.04	3.20	-106.47
N#CC1=C(Cl)N=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020051606	1	28	-2.0	-97.60	287.27	1.09	-96.51
N#CC1=C(Cl)N=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020051606	1	28	-2.0	-97.60	287.34	1.09	-96.51
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051623	1	37	-2.0	-115.92	332.68	-1.24	-117.16
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051623	1	37	-2.0	-115.90	332.74	-1.25	-117.15
CCOC(=O)CC1=CN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020051636	1	39	-2.0	-116.84	349.01	2.65	-114.19
CCOC(=O)CC1=CN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020051636	1	39	-2.0	-116.80	349.08	2.65	-114.15
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)NC1(C3=N[N-]N=N3)CCC1)S2	REAL300020051661	1	43	-2.0	-107.82	365.78	2.91	-104.91
O=C([N-]C1=NN=C(C2CC2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051701	0	33	-2.0	-116.54	298.00	1.28	-115.26
O=C([N-]C1=NN=C(C2CC2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051701	1	33	-2.0	-116.48	298.07	1.27	-115.21
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051731	1	32	-2.0	-105.00	306.64	0.66	-104.34
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051731	1	32	-2.0	-104.94	306.70	0.65	-104.29
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051755	0	39	-2.0	-116.10	348.02	3.44	-112.66
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051755	1	39	-2.0	-116.06	348.08	3.43	-112.63
O=C([N-]C1=NC(C2CC2)=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051762	0	33	-2.0	-105.62	295.70	1.51	-104.11
O=C([N-]C1=NC(C2CC2)=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051762	1	33	-2.0	-105.62	295.77	1.51	-104.11
CC(C)CCC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020051776	0	41	-2.0	-114.98	348.68	2.49	-112.49
CC(C)CCC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020051776	1	41	-2.0	-114.94	348.74	2.48	-112.46
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020051777	1	37	-2.0	-101.48	343.91	2.69	-98.79
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020051777	1	37	-2.0	-101.47	343.97	2.69	-98.78
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051849	0	39	-2.0	-113.93	354.43	3.50	-110.43
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051849	1	39	-2.0	-113.94	354.50	3.50	-110.44
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051869	1	41	-2.0	-106.46	357.76	2.98	-103.48
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051880	0	39	-2.0	-104.25	331.63	1.34	-102.91
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051880	1	39	-2.0	-104.24	331.70	1.34	-102.90
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051908	0	32	-2.0	-103.29	318.03	1.01	-102.28
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051908	1	32	-2.0	-103.30	318.09	1.00	-102.30
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051912	0	36	-2.0	-125.05	333.37	2.91	-122.14
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051912	1	36	-2.0	-125.09	333.44	2.90	-122.19
O=C([N-]C1=NC(C2CCCCCC2)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051921	1	46	-2.0	-107.56	361.58	3.82	-103.74
CC(C)(C1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1)C1=CC=CC=C1	REAL300020051922	1	46	-2.0	-107.90	381.12	5.00	-102.90
CC(C)(C1=CSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1)C1=CC=CC=C1	REAL300020051922	1	46	-2.0	-107.87	381.19	4.99	-102.88
O=C([N-]C1=NC(C2CCCCC2)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051924	1	43	-2.0	-107.15	350.45	3.45	-103.70
O=C([N-]C1=NN=C(C2CCCO2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051944	0	37	-2.0	-118.93	323.70	-0.07	-119.00
O=C([N-]C1=NN=C(C2CCCO2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051944	1	37	-2.0	-118.92	323.76	-0.07	-118.99
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020051954	1	43	-2.0	-117.50	370.94	0.35	-117.15
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020052000	1	37	-2.0	-115.92	332.68	-1.24	-117.16
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020052000	1	37	-2.0	-115.90	332.74	-1.25	-117.15
CC1=CC=C2N=C([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)SC2=N1	REAL300020052043	1	35	-2.0	-111.84	311.36	0.85	-110.99
CC1=CC=C2N=C([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)SC2=N1	REAL300020052043	1	35	-2.0	-111.83	311.43	0.84	-110.99
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)NC1(C2=N[N-]N=N2)CCC1	REAL300020052123	1	35	-2.0	-117.38	328.30	1.92	-115.46
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)NC1(C2=NN=N[N-]2)CCC1	REAL300020052123	1	35	-2.0	-117.35	328.37	1.92	-115.43
COC1=CC=C2SC([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)=NC2=C1	REAL300020052137	1	37	-2.0	-108.40	324.44	1.41	-106.99
COC1=CC=C2SC([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)=NC2=C1	REAL300020052137	1	37	-2.0	-108.41	324.50	1.40	-107.01
O=C([N-]C1=NC(C(F)F)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020052154	1	30	-2.0	-99.16	282.51	0.55	-98.61
O=C([N-]C1=NC(C(F)F)=CS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020052154	1	30	-2.0	-99.18	282.58	0.54	-98.64
CN1C=C(C2=NSC([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)C=N1	REAL300020052161	0	36	-2.0	-107.18	327.41	0.79	-106.39
CN1C=C(C2=NSC([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)=N2)C=N1	REAL300020052161	1	36	-2.0	-107.16	327.47	0.78	-106.38
O=C([N-]C1=NC2=NC=CN=C2S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020052184	1	31	-2.0	-108.90	284.41	-0.68	-109.58
O=C([N-]C1=NC2=NC=CN=C2S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020052184	1	31	-2.0	-108.89	284.47	-0.68	-109.57
O=C([N-]C1=NC(CC2CCOC2)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020052190	1	41	-2.0	-106.90	342.89	1.57	-105.33
CCS(=O)(=O)C1=CC=C2OC([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)=NC2=C1	REAL300020052237	1	42	-2.0	-117.85	369.35	-2.13	-119.98
CCS(=O)(=O)C1=CC=C2OC([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)=NC2=C1	REAL300020052237	1	42	-2.0	-117.87	369.42	-2.13	-120.00
NC(=O)C1=CN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020052238	1	31	-2.0	-108.73	287.06	-2.99	-111.72
NC(=O)C1=CN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020052238	1	31	-2.0	-108.73	287.13	-3.00	-111.73
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)=NC2=C1	REAL300020052239	1	38	-2.0	-114.92	341.37	-5.60	-120.52
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)=NC2=C1	REAL300020052239	1	38	-2.0	-114.92	341.43	-5.61	-120.53
NC(=O)C1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020052240	1	31	-2.0	-99.22	285.48	-3.46	-102.68
NC(=O)C1=CSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020052240	1	31	-2.0	-99.15	285.54	-3.47	-102.62
CC1=NC2=C(S1)C1=C(C=C2)N=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020052253	1	38	-2.0	-113.24	350.22	2.62	-110.62
CC1=NC2=C(S1)C1=C(C=C2)N=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020052253	1	38	-2.0	-113.25	350.28	2.62	-110.63
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)[C@H](C)O1	REAL300020052280	1	41	-2.0	-113.97	345.63	1.85	-112.12
CC1(C)CC2=C(SC([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)C(C)(C)O1	REAL300020052336	1	47	-2.0	-114.41	381.99	2.94	-111.47
CC1(C)CC2=C(SC([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)=N2)C(C)(C)O1	REAL300020052336	1	47	-2.0	-114.41	382.05	2.94	-111.47
CC(C)C1=NSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020052370	0	35	-2.0	-104.78	306.82	1.05	-103.73
CC(C)C1=NSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020052370	1	35	-2.0	-104.76	306.89	1.05	-103.71
CC(C)CC1=NSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020052373	0	38	-2.0	-104.75	325.79	1.91	-102.84
CC(C)CC1=NSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020052373	1	38	-2.0	-104.73	325.85	1.90	-102.83
CC1=CN=C2SC([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)=NC2=C1	REAL300020052403	1	35	-2.0	-110.96	311.18	0.88	-110.08
CC1=CN=C2SC([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)=NC2=C1	REAL300020052403	1	35	-2.0	-110.97	311.25	0.87	-110.10
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)NC1(C2=N[N-]N=N2)CCC1	REAL300020052418	1	36	-2.0	-103.86	321.10	0.74	-103.12
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)NC1(C2=NN=N[N-]2)CCC1	REAL300020052418	1	36	-2.0	-103.85	321.17	0.73	-103.12
O=C([N-]C1=NC=C(C2CCCCO2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020052435	1	41	-2.0	-113.98	346.45	2.04	-111.94
O=C([N-]C1=NC=C(C2CCCCO2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020052435	1	41	-2.0	-113.95	346.52	2.04	-111.91
O=C([N-]C1=NC2=CC=CN=C2S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020052439	1	32	-2.0	-110.64	289.75	0.23	-110.41
O=C([N-]C1=NC2=CC=CN=C2S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020052439	1	32	-2.0	-110.60	289.82	0.22	-110.38
CCC(C)C1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020052445	1	39	-2.0	-106.73	327.06	2.21	-104.52
N#CC1=CC=C(C2=NN=C([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)S2)C=C1	REAL300020052455	0	37	-2.0	-113.50	345.31	3.04	-110.46
N#CC1=CC=C(C2=NN=C([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)S2)C=C1	REAL300020052455	1	37	-2.0	-113.48	345.38	3.04	-110.44
COC1=CC=C2N=C([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)SC2=N1	REAL300020052463	1	36	-2.0	-107.57	322.00	-1.30	-108.87
COC1=CC=C2N=C([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)SC2=N1	REAL300020052463	1	36	-2.0	-107.52	322.06	-1.31	-108.83
COCC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020052467	0	33	-2.0	-114.99	300.29	-1.28	-116.27
COCC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020052467	1	33	-2.0	-114.98	300.35	-1.29	-116.27
COC(C)(C)C1=NSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020052479	0	39	-2.0	-107.85	331.78	-0.01	-107.86
COC(C)(C)C1=NSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020052479	1	39	-2.0	-107.82	331.84	-0.01	-107.83
CC1(C2=NSC([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)CC1	REAL300020052480	0	36	-2.0	-106.77	315.46	2.12	-104.65
CC1(C2=NSC([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)=N2)CC1	REAL300020052480	1	36	-2.0	-106.74	315.53	2.11	-104.63
O=C([N-]C1=NC(CC2CC2)=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020052481	0	36	-2.0	-104.90	318.03	2.07	-102.83
O=C([N-]C1=NC(CC2CC2)=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020052481	1	36	-2.0	-104.91	318.10	2.06	-102.85
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020052545	0	36	-2.0	-114.45	331.11	2.73	-111.72
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020052545	1	36	-2.0	-114.44	331.18	2.72	-111.72
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020052546	1	33	-2.0	-101.69	323.82	2.24	-99.45
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020052546	1	33	-2.0	-101.68	323.89	2.23	-99.45
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C3=N[N-]N=N3)CCC1)S2	REAL300020052551	1	43	-2.0	-108.95	369.24	3.22	-105.73
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C3=NN=N[N-]3)CCC1)S2	REAL300020052551	1	43	-2.0	-108.96	369.30	3.21	-105.75
CSC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020052558	0	30	-2.0	-112.87	290.05	0.07	-112.80
CSC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020052558	1	30	-2.0	-112.89	290.11	0.06	-112.83
O=C([N-]C1=NN=C(CC2CC2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020052559	0	36	-2.0	-115.19	319.72	1.98	-113.21
O=C([N-]C1=NN=C(CC2CC2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020052559	1	36	-2.0	-115.16	319.79	1.97	-113.19
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020052572	0	36	-2.0	-103.26	339.77	3.66	-99.60
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020052572	1	36	-2.0	-103.28	339.83	3.66	-99.62
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C3=N[N-]N=N3)CCC1)=N2	REAL300020052628	1	45	-2.0	-105.79	381.55	1.93	-103.86
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C3=NN=N[N-]3)CCC1)=N2	REAL300020052628	1	45	-2.0	-105.75	381.61	1.92	-103.83
COCCC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020052747	0	36	-2.0	-112.77	321.78	-0.50	-113.27
COCCC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020052747	1	36	-2.0	-112.70	321.85	-0.51	-113.21
O=C([N-]C1=NC(C2=CC=CC=C2)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020052951	0	32	-2.0	-88.96	309.22	0.28	-88.68
O=C([N-]C1=NC(C2=CC=CC=C2)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020052951	1	32	-2.0	-88.94	309.16	0.27	-88.67
CC(C)(C)C1=NN=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020053299	0	33	-2.0	-92.19	310.67	-1.50	-93.69
CC(C)(C)C1=NN=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020053299	1	33	-2.0	-92.21	310.61	-1.52	-93.73
O=C([N-]C1=NC(C2=CC=CC=C2F)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020053338	0	32	-2.0	-94.15	313.63	0.53	-93.62
O=C([N-]C1=NC(C2=CC=CC=C2F)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020053338	1	32	-2.0	-94.15	313.57	0.52	-93.63
O=C([N-]C1=NC(C2=CC=CC=C2OC(F)F)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020053572	0	36	-2.0	-90.61	346.16	0.30	-90.31
O=C([N-]C1=NC(C2=CC=CC=C2OC(F)F)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020053572	1	36	-2.0	-90.60	346.10	0.28	-90.32
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)C(=O)NCC1=NN=N[N-]1	REAL300020053591	0	31	-2.0	-77.63	317.65	-1.98	-79.61
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)C(=O)NCC1=N[N-]N=N1	REAL300020053591	1	31	-2.0	-77.65	317.59	-1.99	-79.64
COCC1=C2N=C([N-]C(=O)C(=O)NCC3=NN=N[N-]3)SC2=CC=C1	REAL300020053604	0	35	-2.0	-88.15	330.69	-1.14	-89.29
COCC1=C2N=C([N-]C(=O)C(=O)NCC3=N[N-]N=N3)SC2=CC=C1	REAL300020053604	1	35	-2.0	-88.14	330.63	-1.16	-89.30
O=C([N-]C1=NC2=C(OC(F)F)C=CC=C2S1)C(=O)NCC1=NN=N[N-]1	REAL300020053614	0	32	-2.0	-91.31	317.22	-1.50	-92.81
O=C([N-]C1=NC2=C(OC(F)F)C=CC=C2S1)C(=O)NCC1=N[N-]N=N1	REAL300020053614	1	32	-2.0	-91.25	317.16	-1.51	-92.76
CC1=CC=CC(C2=CSC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)=C1	REAL300020053686	0	35	-2.0	-89.54	330.67	0.95	-88.59
CC1=CC=CC(C2=CSC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)=C1	REAL300020053686	1	35	-2.0	-89.60	330.62	0.94	-88.66
CC1=CC=CC=C1C1=NOC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020053766	0	35	-2.0	-90.94	318.54	0.29	-90.65
CC1=CC=CC=C1C1=NOC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020053766	1	35	-2.0	-90.88	318.59	0.31	-90.57
CC(C)(C)C1=NSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020053837	0	33	-2.0	-84.03	308.72	-1.47	-85.50
CC(C)(C)C1=NSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020053837	1	33	-2.0	-84.02	308.67	-1.49	-85.51
CC1=CC=C(C2=CSC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)C=C1C	REAL300020053915	0	38	-2.0	-90.06	347.65	1.49	-88.57
CC1=CC=C(C2=CSC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)C=C1C	REAL300020053915	1	38	-2.0	-90.05	347.59	1.47	-88.58
O=C([N-]C1=NC(C2=CC=CS2)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020053916	0	29	-2.0	-86.91	302.02	-0.64	-87.55
O=C([N-]C1=NC(C2=CC=CS2)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020053916	1	29	-2.0	-86.98	301.96	-0.65	-87.63
CC1=NC(CC(C)C)=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020054078	0	37	-2.0	-85.69	335.13	-0.76	-86.45
CC1=NC(CC(C)C)=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020054078	1	37	-2.0	-85.72	335.18	-0.74	-86.46
CN1C=CN=C1C1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020054081	0	32	-2.0	-86.23	310.37	-0.86	-87.09
CN1C=CN=C1C1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020054081	1	32	-2.0	-86.25	310.43	-0.85	-87.10
O=C([N-]C1=CN=C(C2=CC=CC=C2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054094	0	32	-2.0	-87.23	311.20	-0.57	-87.80
O=C([N-]C1=CN=C(C2=CC=CC=C2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054094	1	32	-2.0	-87.23	311.14	-0.58	-87.81
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020055239	0	36	-2.0	-85.99	340.71	-0.20	-86.19
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020055239	1	36	-2.0	-85.98	340.77	-0.18	-86.16
O=C([N-]CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC(F)=C1)C(F)(F)F	REAL300020055252	0	36	-2.0	-72.15	353.53	-2.63	-74.78
O=C([N-]CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC(F)=C1)C(F)(F)F	REAL300020055252	1	36	-2.0	-72.16	353.59	-2.61	-74.77
O=C([N-]C1=NC(C2CCCCCC2)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020055281	0	41	-2.0	-87.07	346.58	0.71	-86.36
O=C([N-]C1=NC(C2CCCCCC2)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020055281	1	41	-2.0	-87.08	346.64	0.73	-86.35
CC(C)(C1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1)C1=CC=CC=C1	REAL300020055282	0	41	-2.0	-88.42	364.13	1.83	-86.59
CC(C)(C1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1)C1=CC=CC=C1	REAL300020055282	1	41	-2.0	-88.44	364.07	1.82	-86.62
O=C([N-]C1=NC(C2CCCCC2)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020055284	0	38	-2.0	-87.07	333.42	0.27	-86.80
O=C([N-]C1=NC(C2CCCCC2)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020055284	1	38	-2.0	-87.02	333.47	0.29	-86.73
CCCNC(=O)CC1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020055308	0	38	-2.0	-99.09	353.92	-2.84	-101.93
CCCNC(=O)CC1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020055308	1	38	-2.0	-99.10	353.98	-2.82	-101.92
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055351	0	32	-2.0	-94.63	315.63	-4.41	-99.04
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055351	1	32	-2.0	-94.57	315.69	-4.40	-98.97
COC1=CC=CC(CC2=CN=C([N-]C(=O)C(=O)NCC3=NN=N[N-]3)S2)=C1	REAL300020055363	0	39	-2.0	-93.63	365.52	0.88	-92.75
COC1=CC=CC(CC2=CN=C([N-]C(=O)C(=O)NCC3=N[N-]N=N3)S2)=C1	REAL300020055363	1	39	-2.0	-93.66	365.46	0.86	-92.80
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020055365	0	38	-2.0	-93.00	353.53	1.99	-91.01
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020055365	1	38	-2.0	-92.99	353.59	2.00	-90.99
O=C([N-]C1=NC(C2=CC=C(C(F)(F)F)C=C2)=NS1)C(=O)NCC1=NN=N[N-]1	REAL300020055393	0	34	-2.0	-80.71	344.76	0.97	-79.74
O=C([N-]C1=NC(C2=CC=C(C(F)(F)F)C=C2)=NS1)C(=O)NCC1=N[N-]N=N1	REAL300020055393	1	34	-2.0	-80.70	344.70	0.96	-79.74
CCC1CCCC2=C1N=C([N-]C(=O)C(=O)NCC1=N[N-]N=N1)S2	REAL300020055438	0	38	-2.0	-89.67	330.77	0.96	-88.71
CCC1CCCC2=C1N=C([N-]C(=O)C(=O)NCC1=NN=N[N-]1)S2	REAL300020055438	1	38	-2.0	-89.63	330.83	0.97	-88.66
O=C([N-]C1=NC(C(F)F)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020055466	0	25	-2.0	-80.34	265.46	-2.63	-82.97
O=C([N-]C1=NC(C(F)F)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020055466	1	25	-2.0	-80.33	265.52	-2.62	-82.95
CC(C)C1CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=N[N-]N=N1)=N2	REAL300020055470	0	41	-2.0	-93.12	352.51	1.27	-91.85
CC(C)C1CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=NN=N[N-]1)=N2	REAL300020055470	1	41	-2.0	-93.06	352.57	1.29	-91.77
CN1C=C(C2=NSC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)C=N1	REAL300020055471	0	31	-2.0	-86.33	310.43	-2.39	-88.72
CN1C=C(C2=NSC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)C=N1	REAL300020055471	1	31	-2.0	-86.27	310.37	-2.40	-88.67
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020055486	0	40	-2.0	-89.69	369.96	-0.32	-90.01
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020055486	1	40	-2.0	-89.71	370.02	-0.31	-90.02
O=C([N-]C1=NC(CC2CCOC2)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020055496	0	36	-2.0	-88.26	325.85	-1.61	-89.87
O=C([N-]C1=NC(CC2CCOC2)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020055496	1	36	-2.0	-88.29	325.91	-1.60	-89.89
COCCC1=CN=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020055497	0	32	-2.0	-88.82	309.77	-2.37	-91.19
COCCC1=CN=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020055497	1	32	-2.0	-88.84	309.72	-2.39	-91.23
O=C([N-]C1=NC=C(C2=CC=CC(F)=C2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055499	0	32	-2.0	-90.03	317.04	0.71	-89.32
O=C([N-]C1=NC=C(C2=CC=CC(F)=C2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055499	1	32	-2.0	-90.01	316.98	0.70	-89.31
CC1C(=O)NC2=CC=C(C3=CSC([N-]C(=O)C(=O)NCC4=NN=N[N-]4)=N3)C=C21	REAL300020055539	0	40	-2.0	-88.24	372.24	-0.68	-88.92
CC1C(=O)NC2=CC=C(C3=CSC([N-]C(=O)C(=O)NCC4=N[N-]N=N4)=N3)C=C21	REAL300020055539	1	40	-2.0	-88.23	372.18	-0.70	-88.93
O=C([N-]C1=NC=C(CC2CCCO2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055558	0	36	-2.0	-94.77	332.85	-1.13	-95.90
O=C([N-]C1=NC=C(CC2CCCO2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055558	1	36	-2.0	-94.80	332.79	-1.14	-95.94
C[C@@H]1CC2=C(SC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)[C@H](C)O1	REAL300020055559	0	36	-2.0	-91.72	328.76	-1.35	-93.07
C[C@@H]1CC2=C(SC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)[C@H](C)O1	REAL300020055559	1	36	-2.0	-91.70	328.82	-1.33	-93.03
CC1=CC=C(CC2=CN=C([N-]C(=O)C(=O)NCC3=NN=N[N-]3)S2)C=C1	REAL300020055570	0	38	-2.0	-91.69	357.42	2.25	-89.44
CC1=CC=C(CC2=CN=C([N-]C(=O)C(=O)NCC3=N[N-]N=N3)S2)C=C1	REAL300020055570	1	38	-2.0	-91.68	357.36	2.24	-89.44
O=C([N-]C1=NC2=C(CC3=CC=CC=C32)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055580	0	33	-2.0	-99.42	317.66	1.23	-98.19
O=C([N-]C1=NC2=C(CC3=CC=CC=C32)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055580	1	33	-2.0	-99.39	317.72	1.24	-98.15
O=C([N-]C1=NC=C(CC2CCCOC2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055581	0	39	-2.0	-93.33	347.62	-0.70	-94.03
O=C([N-]C1=NC=C(CC2CCCOC2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055581	1	39	-2.0	-93.43	347.57	-0.71	-94.14
O=C([N-]C1=NC=C(CC2CCOCC2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055582	0	39	-2.0	-90.81	347.69	-0.72	-91.53
O=C([N-]C1=NC=C(CC2CCOCC2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055582	1	39	-2.0	-90.88	347.64	-0.74	-91.62
O=C([N-]C1=NC=C(CC2CCOC2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055583	0	36	-2.0	-91.93	331.47	-1.39	-93.32
O=C([N-]C1=NC=C(CC2CCOC2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055583	1	36	-2.0	-92.00	331.41	-1.41	-93.41
CC1(C)CC2=C(SC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)C(C)(C)O1	REAL300020055607	0	42	-2.0	-92.03	363.96	-0.23	-92.26
CC1(C)CC2=C(SC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)C(C)(C)O1	REAL300020055607	1	42	-2.0	-92.04	364.02	-0.22	-92.26
CC1=CC=CC(CC2=CN=C([N-]C(=O)C(=O)NCC3=NN=N[N-]3)S2)=C1	REAL300020055610	0	38	-2.0	-91.66	357.42	2.24	-89.42
CC1=CC=CC(CC2=CN=C([N-]C(=O)C(=O)NCC3=N[N-]N=N3)S2)=C1	REAL300020055610	1	38	-2.0	-91.69	357.36	2.23	-89.46
CC1=CC=C(C2=CN=C([N-]C(=O)C(=O)NCC3=NN=N[N-]3)S2)C=C1	REAL300020055653	0	35	-2.0	-91.91	332.03	1.32	-90.59
CC1=CC=C(C2=CN=C([N-]C(=O)C(=O)NCC3=N[N-]N=N3)S2)C=C1	REAL300020055653	1	35	-2.0	-91.88	331.97	1.31	-90.57
O=C([N-]C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NS1)C(=O)NCC1=NN=N[N-]1	REAL300020055654	0	34	-2.0	-83.52	345.10	0.98	-82.54
O=C([N-]C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NS1)C(=O)NCC1=N[N-]N=N1	REAL300020055654	1	34	-2.0	-83.51	345.05	0.97	-82.54
O=C([N-]C1=NC=C(C2CCCCO2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055680	0	36	-2.0	-91.99	329.48	-1.11	-93.10
O=C([N-]C1=NC=C(C2CCCCO2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055680	1	36	-2.0	-92.00	329.42	-1.12	-93.12
CCC(C)C1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020055688	0	34	-2.0	-86.91	310.02	-0.97	-87.88
CCC(C)C1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020055688	1	34	-2.0	-86.90	310.08	-0.95	-87.85
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055762	0	28	-2.0	-80.89	306.83	-0.91	-81.80
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055762	1	28	-2.0	-80.86	306.77	-0.93	-81.79
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)C(=O)NCC1=N[N-]N=N1)S2	REAL300020055765	0	38	-2.0	-89.66	352.12	0.03	-89.63
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)C(=O)NCC1=NN=N[N-]1)S2	REAL300020055765	1	38	-2.0	-89.67	352.18	0.05	-89.62
O=C([N-]C1=NC=C(CC2=CC=C(Cl)C=C2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055776	0	35	-2.0	-90.31	352.74	2.10	-88.21
O=C([N-]C1=NC=C(CC2=CC=C(Cl)C=C2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055776	1	35	-2.0	-90.29	352.69	2.08	-88.21
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)C(=O)NCC3=NN=N[N-]3)S2)=C1	REAL300020055777	0	36	-2.0	-93.54	356.87	1.96	-91.58
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)C(=O)NCC3=N[N-]N=N3)S2)=C1	REAL300020055777	1	36	-2.0	-93.48	356.81	1.95	-91.53
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)C(=O)NCC1=NN=N[N-]1	REAL300020055780	0	31	-2.0	-81.73	322.79	0.49	-81.24
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)C(=O)NCC1=N[N-]N=N1	REAL300020055780	1	31	-2.0	-81.78	322.73	0.48	-81.30
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=N[N-]N=N1)=N2	REAL300020055816	0	40	-2.0	-87.46	364.48	-1.26	-88.72
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=NN=N[N-]1)=N2	REAL300020055816	1	40	-2.0	-87.36	364.54	-1.24	-88.60
O=C([N-]C1=NC2=C(S1)C(=O)NCCC2)C(=O)NCC1=N[N-]N=N1	REAL300020055877	0	33	-2.0	-90.98	308.07	-4.30	-95.28
O=C([N-]C1=NC2=C(S1)C(=O)NCCC2)C(=O)NCC1=NN=N[N-]1	REAL300020055877	1	33	-2.0	-91.01	308.12	-4.29	-95.30
CCC1=C(C2=CC=CC=C2)N=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020055880	0	38	-2.0	-96.07	351.63	1.98	-94.09
CCC1=C(C2=CC=CC=C2)N=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020055880	1	38	-2.0	-96.07	351.57	1.96	-94.11
N#CC1=CC=CC=C1CC1=CN=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020055881	0	36	-2.0	-96.24	353.23	1.70	-94.54
N#CC1=CC=CC=C1CC1=CN=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020055881	1	36	-2.0	-96.28	353.18	1.68	-94.60
CC1=C(C2=CC=C3OCOC3=C2)N=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020055882	0	38	-2.0	-91.62	353.44	-0.53	-92.15
CC1=C(C2=CC=C3OCOC3=C2)N=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020055882	1	38	-2.0	-91.65	353.38	-0.54	-92.19
O=C([O-])C1CC12CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020055916	0	38	-2.0	-90.37	320.57	5.67	-84.70
O=C([O-])C1CC12CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020055916	1	38	-2.0	-90.38	320.63	5.67	-84.71
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020055917	0	34	-2.0	-86.59	293.40	4.44	-82.15
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020055917	1	34	-2.0	-86.59	293.47	4.44	-82.15
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020055918	0	34	-2.0	-88.12	318.16	3.83	-84.29
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020055918	1	34	-2.0	-88.06	318.23	3.84	-84.22
O=C([O-])C(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020055919	0	37	-2.0	-105.72	326.98	5.39	-100.33
O=C([O-])C(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020055919	1	37	-2.0	-105.72	327.04	5.41	-100.31
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020055920	0	37	-2.0	-91.05	336.93	5.16	-85.89
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020055920	1	37	-2.0	-91.07	336.99	5.16	-85.91
COC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020055921	0	38	-2.0	-104.83	334.88	4.11	-100.72
COC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020055921	1	38	-2.0	-104.81	334.94	4.12	-100.69
COC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300020055922	0	38	-2.0	-97.03	345.47	3.89	-93.14
COC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300020055922	1	38	-2.0	-96.92	345.54	3.90	-93.02
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020055923	0	37	-2.0	-105.79	319.50	4.74	-101.05
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020055923	1	37	-2.0	-105.79	319.56	4.75	-101.04
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020055924	0	37	-2.0	-92.29	337.03	5.37	-86.92
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020055924	1	37	-2.0	-92.35	337.09	5.37	-86.98
O=C([O-])CC1=CSC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020055925	0	30	-2.0	-89.76	297.90	2.72	-87.04
O=C([O-])CC1=CSC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020055925	1	30	-2.0	-89.75	297.97	2.72	-87.03
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)C=C1OC	REAL300020055926	0	45	-2.0	-107.69	378.19	3.95	-103.74
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)C=C1OC	REAL300020055926	1	45	-2.0	-107.71	378.25	3.97	-103.74
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1OC	REAL300020055927	0	45	-2.0	-92.90	395.78	4.56	-88.34
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1OC	REAL300020055927	1	45	-2.0	-92.93	395.85	4.57	-88.36
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020055928	0	41	-2.0	-106.09	348.99	4.03	-102.06
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020055928	1	41	-2.0	-106.05	349.04	4.05	-102.00
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020055929	0	41	-2.0	-91.00	366.62	4.52	-86.48
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020055929	1	41	-2.0	-91.02	366.68	4.53	-86.49
CC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020055930	0	40	-2.0	-106.09	341.03	5.46	-100.63
CC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020055930	1	40	-2.0	-106.10	341.09	5.48	-100.62
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020055931	0	40	-2.0	-92.49	358.44	6.04	-86.45
CC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020055931	1	40	-2.0	-92.50	358.51	6.05	-86.45
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020055932	0	34	-2.0	-85.00	292.64	4.32	-80.68
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020055932	1	34	-2.0	-84.93	292.71	4.32	-80.61
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL300020055933	0	37	-2.0	-94.47	308.90	4.55	-89.92
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL300020055933	1	37	-2.0	-94.49	308.97	4.55	-89.94
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020055934	0	37	-2.0	-101.82	325.91	4.80	-97.02
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020055934	1	37	-2.0	-101.83	325.97	4.82	-97.01
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1	REAL300020055935	0	37	-2.0	-88.05	343.52	5.30	-82.75
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1	REAL300020055935	1	37	-2.0	-88.00	343.59	5.30	-82.70
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020055936	0	34	-2.0	-85.00	292.64	4.32	-80.68
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020055936	1	34	-2.0	-84.93	292.71	4.32	-80.61
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020055937	0	34	-2.0	-85.26	292.70	4.37	-80.89
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020055937	1	34	-2.0	-85.23	292.77	4.37	-80.86
O=C([O-])C1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020055938	0	37	-2.0	-103.95	329.07	4.82	-99.13
O=C([O-])C1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020055938	1	37	-2.0	-103.96	329.13	4.83	-99.13
O=C([O-])C1=CC=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020055939	0	37	-2.0	-89.49	339.66	4.62	-84.87
O=C([O-])C1=CC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020055939	1	37	-2.0	-89.45	339.73	4.62	-84.83
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL300020055940	0	34	-2.0	-102.59	311.53	3.85	-98.74
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL300020055940	1	34	-2.0	-102.64	311.59	3.87	-98.77
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CS1	REAL300020055941	0	34	-2.0	-90.91	328.03	4.28	-86.63
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CS1	REAL300020055941	1	34	-2.0	-90.90	328.10	4.28	-86.62
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020055942	0	34	-2.0	-86.59	293.40	4.44	-82.15
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020055942	1	34	-2.0	-86.59	293.47	4.44	-82.15
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300020055943	0	34	-2.0	-94.46	294.35	3.48	-90.98
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300020055943	1	34	-2.0	-94.45	294.42	3.49	-90.96
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL300020055944	0	37	-2.0	-94.47	308.90	4.55	-89.92
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL300020055944	1	37	-2.0	-94.49	308.97	4.55	-89.94
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020055945	0	34	-2.0	-98.37	287.72	5.24	-93.13
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020055945	1	34	-2.0	-98.33	287.79	5.25	-93.08
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020055946	0	32	-2.0	-90.65	294.95	5.47	-85.18
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020055946	1	32	-2.0	-90.67	294.99	5.46	-85.21
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020055947	0	36	-2.0	-99.67	326.04	5.74	-93.93
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020055947	1	36	-2.0	-99.65	326.08	5.74	-93.91
O=C([O-])C1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020055948	0	32	-2.0	-102.63	294.94	5.46	-97.17
O=C([O-])C1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020055948	1	32	-2.0	-102.60	294.99	5.46	-97.14
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300020055949	0	29	-2.0	-85.80	288.96	4.64	-81.16
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300020055949	1	29	-2.0	-85.76	289.00	4.63	-81.13
O=C([O-])C1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300020055950	0	31	-2.0	-90.36	293.11	3.74	-86.62
O=C([O-])C1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300020055950	1	31	-2.0	-90.37	293.07	3.74	-86.63
CC(SC1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL300020055951	0	39	-2.0	-108.59	347.72	7.21	-101.38
CC(SC1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL300020055951	1	39	-2.0	-108.62	347.76	7.21	-101.41
CCOC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1OCC(=O)[O-]	REAL300020055952	0	43	-2.0	-95.18	377.01	6.41	-88.77
CCOC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1OCC(=O)[O-]	REAL300020055952	1	43	-2.0	-95.26	377.06	6.41	-88.85
O=C([O-])C1=CC=C(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020055953	0	38	-2.0	-96.45	341.03	6.95	-89.50
O=C([O-])C1=CC=C(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020055953	1	38	-2.0	-96.44	341.07	6.94	-89.50
O=C([O-])C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=N1	REAL300020055954	0	31	-2.0	-103.10	291.09	3.69	-99.41
O=C([O-])C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=N1	REAL300020055954	1	31	-2.0	-103.10	291.05	3.69	-99.41
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020055955	0	36	-2.0	-94.75	329.45	6.65	-88.10
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020055955	1	36	-2.0	-94.69	329.49	6.66	-88.03
O=C([O-])C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1	REAL300020055956	0	34	-2.0	-90.13	323.12	6.12	-84.01
O=C([O-])C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1	REAL300020055956	1	34	-2.0	-90.08	323.16	6.12	-83.96
O=C([O-])C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC([N+](=O)[O-])=C1	REAL300020055957	0	34	-2.0	-90.13	323.12	6.12	-84.01
O=C([O-])C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC([N+](=O)[O-])=C1	REAL300020055957	1	34	-2.0	-90.08	323.16	6.12	-83.96
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020055958	0	42	-2.0	-94.04	369.94	7.01	-87.03
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020055958	1	42	-2.0	-94.00	369.97	7.02	-86.98
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020055959	0	39	-2.0	-94.71	353.95	6.50	-88.21
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020055959	1	39	-2.0	-94.73	353.84	6.50	-88.23
O=C([O-])C1=CC=CC=C1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020055960	0	38	-2.0	-99.66	331.80	6.69	-92.97
O=C([O-])C1=CC=CC=C1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020055960	1	38	-2.0	-99.67	331.84	6.69	-92.98
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C)=C1OCC(=O)[O-]	REAL300020055961	0	42	-2.0	-91.88	370.03	7.29	-84.59
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C)=C1OCC(=O)[O-]	REAL300020055961	1	42	-2.0	-91.86	370.08	7.29	-84.57
O=C([O-])C1=CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1	REAL300020055962	0	35	-2.0	-106.25	319.61	6.13	-100.12
O=C([O-])C1=CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1	REAL300020055962	1	35	-2.0	-107.08	319.38	6.13	-100.95
O=C([O-])C1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020055963	0	38	-2.0	-107.74	314.32	5.53	-102.21
O=C([O-])C1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020055963	1	38	-2.0	-107.78	314.36	5.53	-102.25
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020055964	0	31	-2.0	-91.11	290.88	3.68	-87.43
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020055964	1	31	-2.0	-91.11	290.83	3.69	-87.42
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL300020055965	0	31	-2.0	-83.77	292.38	3.73	-80.04
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL300020055965	1	31	-2.0	-83.81	292.33	3.74	-80.07
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020055966	0	37	-2.0	-95.38	304.11	4.89	-90.49
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020055966	1	37	-2.0	-95.36	304.15	4.88	-90.48
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(F)=C1	REAL300020055967	0	32	-2.0	-90.87	299.46	5.54	-85.33
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(F)=C1	REAL300020055967	1	32	-2.0	-90.88	299.50	5.53	-85.35
O=C([O-])C1=CN=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020055968	0	30	-2.0	-84.55	287.69	1.89	-82.66
O=C([O-])C1=CN=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020055968	1	30	-2.0	-84.58	287.64	1.89	-82.69
O=C([O-])[C@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020055969	0	38	-2.0	-92.84	321.36	5.69	-87.15
O=C([O-])[C@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020055969	1	38	-2.0	-92.81	321.40	5.70	-87.11
O=C([O-])C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020055970	0	38	-2.0	-92.69	320.85	5.69	-87.00
O=C([O-])C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020055970	1	38	-2.0	-92.69	320.63	5.70	-86.99
O=C([O-])C1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020055971	0	35	-2.0	-106.15	319.62	6.14	-100.01
O=C([O-])C1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020055971	1	35	-2.0	-106.10	319.67	6.14	-99.96
O=C([O-])C1=CN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020055972	0	31	-2.0	-109.45	296.82	2.12	-107.33
O=C([O-])C1=CN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020055972	1	31	-2.0	-109.47	296.77	2.13	-107.34
CC1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C(=O)[O-]	REAL300020055973	0	34	-2.0	-83.16	308.45	4.27	-78.89
CC1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C(=O)[O-]	REAL300020055973	1	34	-2.0	-83.11	308.49	4.27	-78.84
O=C([O-])C1=CC(Br)=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020055974	0	32	-2.0	-94.76	316.25	6.06	-88.70
O=C([O-])C1=CC(Br)=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020055974	1	32	-2.0	-94.75	316.29	6.07	-88.68
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020055975	0	32	-2.0	-90.65	294.95	5.47	-85.18
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020055975	1	32	-2.0	-90.67	294.99	5.46	-85.21
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020055976	0	35	-2.0	-102.91	302.58	5.05	-97.86
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020055976	1	35	-2.0	-102.90	302.62	5.04	-97.86
O=C([O-])CC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020055977	0	35	-2.0	-98.41	317.13	6.22	-92.19
O=C([O-])CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020055977	1	35	-2.0	-98.40	317.17	6.22	-92.18
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020055978	0	42	-2.0	-114.30	361.01	8.81	-105.49
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020055978	1	42	-2.0	-114.28	361.07	8.80	-105.48
O=C([O-])CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CO1	REAL300020055979	0	32	-2.0	-105.47	297.41	4.38	-101.09
O=C([O-])CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CO1	REAL300020055979	1	32	-2.0	-105.44	297.46	4.38	-101.06
CC1=COC(CC(=O)[O-])=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020055980	0	35	-2.0	-102.51	324.23	5.00	-97.51
CC1=COC(CC(=O)[O-])=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020055980	1	35	-2.0	-102.52	324.28	4.99	-97.53
O=C([O-])C1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020055981	0	31	-2.0	-93.11	292.59	3.74	-89.37
O=C([O-])C1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020055981	1	31	-2.0	-93.14	292.55	3.74	-89.40
O=C([O-])C1CCC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020055982	0	41	-2.0	-102.44	339.75	6.39	-96.05
O=C([O-])C1CCC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020055982	1	41	-2.0	-102.45	339.79	6.39	-96.06
O=C([O-])C12CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(CC1)C2	REAL300020055983	0	39	-2.0	-99.16	328.84	5.86	-93.30
O=C([O-])C12CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(CC1)C2	REAL300020055983	1	39	-2.0	-99.14	328.88	5.85	-93.29
O=C([O-])C12CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(CC1)CC2	REAL300020055984	0	42	-2.0	-92.03	338.55	6.35	-85.68
O=C([O-])C12CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(CC1)CC2	REAL300020055984	1	42	-2.0	-91.94	338.29	6.35	-85.59
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020055985	0	37	-2.0	-95.38	304.11	4.89	-90.49
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020055985	1	37	-2.0	-95.36	304.15	4.88	-90.48
O=C([O-])C1=C2N=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)N2N=C1	REAL300020055986	0	34	-2.0	-96.45	316.85	4.76	-91.69
O=C([O-])C1=C2N=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)N2N=C1	REAL300020055986	1	34	-2.0	-96.47	316.81	4.76	-91.71
O=C([O-])CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=CC=CC=C21	REAL300020055987	0	39	-2.0	-108.88	347.09	6.18	-102.70
O=C([O-])CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=CC=CC=C21	REAL300020055987	1	39	-2.0	-108.88	347.14	6.17	-102.71
O=C([O-])C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL300020055988	0	28	-2.0	-81.50	275.85	3.03	-78.47
O=C([O-])C1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL300020055988	1	28	-2.0	-81.53	275.80	3.03	-78.50
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300020055989	0	35	-2.0	-88.62	298.88	5.08	-83.54
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300020055989	1	35	-2.0	-88.64	298.92	5.07	-83.57
O=C([O-])C1=CC=C2CCCC(CC(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2=C1	REAL300020055990	0	45	-2.0	-96.51	373.61	8.36	-88.15
O=C([O-])C1=CC=C2CCCC(CC(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2=C1	REAL300020055990	1	45	-2.0	-96.52	373.65	8.35	-88.17
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C(=O)[O-])O1	REAL300020055991	0	32	-2.0	-88.02	297.82	4.63	-83.39
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C(=O)[O-])O1	REAL300020055991	1	32	-2.0	-87.98	297.86	4.61	-83.37
CC1=C(C(=O)[O-])OC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020055992	0	32	-2.0	-85.60	299.28	4.44	-81.16
CC1=C(C(=O)[O-])OC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020055992	1	32	-2.0	-85.56	299.32	4.43	-81.13
O=C([O-])C1=CN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL300020055993	0	32	-2.0	-105.40	301.46	3.61	-101.79
O=C([O-])C1=CN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL300020055993	1	32	-2.0	-105.40	301.41	3.62	-101.78
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020055994	0	33	-2.0	-89.40	314.50	5.06	-84.34
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020055994	1	33	-2.0	-89.35	314.54	5.05	-84.30
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2(CCC2)C1	REAL300020055995	0	39	-2.0	-87.22	330.50	6.16	-81.06
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2(CCC2)C1	REAL300020055995	1	39	-2.0	-87.20	330.54	6.16	-81.04
O=C([O-])COC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020055996	0	36	-2.0	-90.86	325.96	5.74	-85.12
O=C([O-])COC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020055996	1	36	-2.0	-90.87	326.01	5.74	-85.13
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020055997	0	41	-2.0	-103.30	363.06	6.02	-97.28
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020055997	1	41	-2.0	-102.05	362.82	6.03	-96.02
O=C([O-])CSCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020055998	0	32	-2.0	-91.79	304.50	4.66	-87.13
O=C([O-])CSCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020055998	1	32	-2.0	-91.79	304.54	4.66	-87.13
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL300020055999	0	31	-2.0	-83.77	292.38	3.73	-80.04
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL300020055999	1	31	-2.0	-83.81	292.33	3.74	-80.07
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056000	0	32	-2.0	-90.83	296.77	3.14	-87.69
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056000	1	32	-2.0	-90.88	296.73	3.15	-87.73
C[C@@H]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O[C@H]1C(=O)[O-]	REAL300020056001	0	36	-2.0	-101.07	317.25	4.90	-96.17
C[C@@H]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O[C@H]1C(=O)[O-]	REAL300020056001	1	36	-2.0	-101.09	317.30	4.89	-96.20
CC(C)(CCC(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056002	0	37	-2.0	-100.35	312.67	5.01	-95.34
CC(C)(CCC(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056002	1	37	-2.0	-100.35	312.71	5.00	-95.35
O=C([O-])CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020056003	0	35	-2.0	-91.20	317.15	6.24	-84.96
O=C([O-])CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020056003	1	35	-2.0	-91.19	317.19	6.24	-84.95
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020056004	0	36	-2.0	-92.06	327.04	6.76	-85.30
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020056004	1	36	-2.0	-92.00	327.08	6.77	-85.23
O=C([O-])C1=COC(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020056005	0	33	-2.0	-92.72	314.00	4.92	-87.80
O=C([O-])C1=COC(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020056005	1	33	-2.0	-92.71	314.05	4.92	-87.79
O=C([O-])CCC1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056006	0	38	-2.0	-113.35	329.34	6.96	-106.39
O=C([O-])CCC1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056006	1	38	-2.0	-113.35	329.38	6.96	-106.39
O=C([O-])C1=C(COCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC=N1	REAL300020056007	0	35	-2.0	-110.40	327.77	1.12	-109.28
O=C([O-])C1=C(COCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC=N1	REAL300020056007	1	35	-2.0	-110.41	327.72	1.13	-109.28
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020056008	0	33	-2.0	-90.89	315.52	5.28	-85.61
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020056008	1	33	-2.0	-90.91	315.56	5.28	-85.63
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020056009	0	35	-2.0	-102.91	302.58	5.05	-97.86
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020056009	1	35	-2.0	-102.90	302.62	5.04	-97.86
CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C(=O)[O-]	REAL300020056010	0	35	-2.0	-102.20	310.46	6.01	-96.19
CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C(=O)[O-]	REAL300020056010	1	35	-2.0	-102.17	310.50	6.00	-96.17
O=C([O-])C1=CN=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020056011	0	31	-2.0	-94.14	290.16	3.66	-90.48
O=C([O-])C1=CN=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020056011	1	31	-2.0	-94.12	290.12	3.67	-90.45
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056012	0	34	-2.0	-84.19	305.93	4.34	-79.85
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056012	1	34	-2.0	-84.18	305.97	4.33	-79.85
O=C([O-])C1=NN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020056013	0	32	-2.0	-120.37	300.78	3.63	-116.74
O=C([O-])C1=NN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020056013	1	32	-2.0	-121.44	301.02	3.63	-117.81
O=C([O-])C1=NN(CCCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020056014	0	38	-2.0	-117.61	344.68	4.99	-112.62
O=C([O-])C1=NN(CCCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020056014	1	38	-2.0	-117.60	344.64	5.00	-112.60
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020056015	0	39	-2.0	-105.23	338.80	5.33	-99.90
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020056015	1	39	-2.0	-105.24	338.84	5.32	-99.92
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020056016	0	39	-2.0	-96.90	337.74	4.27	-92.63
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020056016	1	39	-2.0	-96.79	337.78	4.26	-92.53
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC(C(=O)[O-])=C1	REAL300020056017	0	32	-2.0	-85.26	299.19	4.54	-80.72
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC(C(=O)[O-])=C1	REAL300020056017	1	32	-2.0	-85.22	299.23	4.53	-80.69
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056018	0	40	-2.0	-95.73	318.58	6.85	-88.88
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056018	1	40	-2.0	-95.71	318.62	6.84	-88.87
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056019	0	38	-2.0	-109.52	310.75	5.92	-103.60
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056019	1	38	-2.0	-109.49	310.78	5.93	-103.56
O=C([O-])C1CCCN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020056020	0	40	-2.0	-92.20	333.85	3.51	-88.69
O=C([O-])C1CCCN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020056020	1	40	-2.0	-92.22	333.88	3.50	-88.72
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1C1=CC=CC=C1	REAL300020056021	0	39	-2.0	-85.15	334.78	7.47	-77.68
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1C1=CC=CC=C1	REAL300020056021	1	39	-2.0	-85.15	334.82	7.46	-77.69
O=C([O-])CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)NC2=CC=CC=C21	REAL300020056022	0	39	-2.0	-108.88	347.09	6.18	-102.70
O=C([O-])CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)NC2=CC=CC=C21	REAL300020056022	1	39	-2.0	-108.88	347.14	6.17	-102.71
O=C([O-])C1=CN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CC=C12	REAL300020056023	0	39	-2.0	-113.82	352.98	7.59	-106.23
O=C([O-])C1=CN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C12	REAL300020056023	1	39	-2.0	-113.88	353.02	7.60	-106.28
O=C([O-])C1CC12CC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020056024	0	36	-2.0	-116.49	312.90	6.53	-109.96
O=C([O-])C1CC12CC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020056024	1	36	-2.0	-116.51	312.94	6.52	-109.99
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056025	0	38	-2.0	-104.88	328.71	5.69	-99.19
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056025	1	38	-2.0	-104.87	328.92	5.69	-99.18
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056026	0	35	-2.0	-88.91	310.51	6.16	-82.75
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056026	1	35	-2.0	-88.84	310.55	6.15	-82.69
CC1(C(=O)[O-])CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020056027	0	35	-2.0	-88.09	304.11	4.88	-83.21
CC1(C(=O)[O-])CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020056027	1	35	-2.0	-88.16	304.15	4.87	-83.29
O=C([O-])C1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=CS1	REAL300020056028	0	29	-2.0	-109.58	282.04	5.32	-104.26
O=C([O-])C1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CS1	REAL300020056028	1	29	-2.0	-109.58	282.09	5.32	-104.26
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056029	0	34	-2.0	-91.46	300.56	4.24	-87.22
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056029	1	34	-2.0	-91.46	300.61	4.23	-87.23
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056030	0	35	-2.0	-90.29	310.48	6.16	-84.13
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056030	1	35	-2.0	-90.26	310.54	6.15	-84.11
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(Cl)=C1	REAL300020056031	0	32	-2.0	-89.71	307.42	5.97	-83.74
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(Cl)=C1	REAL300020056031	1	32	-2.0	-89.71	307.46	5.96	-83.75
O=C([O-])C1CC2(C1)CC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020056032	0	39	-2.0	-95.28	335.91	6.33	-88.95
O=C([O-])C1CC2(C1)CC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020056032	1	39	-2.0	-95.26	335.95	6.32	-88.94
COC1=CC(C(=O)[O-])=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020056033	0	35	-2.0	-87.73	322.84	3.06	-84.67
COC1=CC(C(=O)[O-])=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020056033	1	35	-2.0	-87.77	322.80	3.05	-84.72
CN1C(C(=O)[O-])=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056034	0	33	-2.0	-85.86	294.97	4.85	-81.01
CN1C(C(=O)[O-])=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056034	1	33	-2.0	-85.85	295.02	4.84	-81.01
O=C([O-])CCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020056035	0	38	-2.0	-90.76	338.54	7.04	-83.72
O=C([O-])CCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020056035	1	38	-2.0	-90.79	338.59	7.04	-83.75
CC1=C(C(=O)[O-])C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL300020056036	0	32	-2.0	-107.01	292.85	3.32	-103.69
CC1=C(C(=O)[O-])C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL300020056036	1	32	-2.0	-106.99	292.89	3.31	-103.68
O=C([O-])CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020056037	0	35	-2.0	-96.89	306.02	5.22	-91.67
O=C([O-])CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020056037	1	35	-2.0	-96.85	306.07	5.23	-91.62
O=C([O-])C1C(F)(F)C12CC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020056038	0	36	-2.0	-110.58	324.54	6.57	-104.01
O=C([O-])C1C(F)(F)C12CC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020056038	1	36	-2.0	-110.57	324.59	6.56	-104.01
O=C([O-])C1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300020056039	0	28	-2.0	-85.71	284.66	2.60	-83.11
O=C([O-])C1=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300020056039	1	28	-2.0	-85.71	284.62	2.61	-83.10
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C(C(=O)[O-])S1	REAL300020056040	0	32	-2.0	-87.94	305.39	5.33	-82.61
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C(C(=O)[O-])S1	REAL300020056040	1	32	-2.0	-87.94	305.43	5.32	-82.62
O=C([O-])C1=CC2=C(S1)SC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)=C2	REAL300020056041	0	32	-2.0	-89.61	324.80	6.05	-83.56
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020056042	0	36	-2.0	-96.47	332.38	5.17	-91.30
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020056042	1	36	-2.0	-96.45	332.42	5.15	-91.30
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056043	0	35	-2.0	-88.98	322.92	5.87	-83.11
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056043	1	35	-2.0	-88.93	322.97	5.86	-83.07
O=C([O-])C1=C2C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)SC2=CC=C1	REAL300020056044	0	35	-2.0	-104.30	330.12	6.75	-97.55
O=C([O-])C1=C2C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)SC2=CC=C1	REAL300020056044	1	35	-2.0	-104.33	330.16	6.74	-97.59
O=C([O-])C1=NC=CC=C1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056045	0	37	-2.0	-102.74	327.71	4.94	-97.80
O=C([O-])C1=NC=CC=C1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056045	1	37	-2.0	-102.75	327.67	4.94	-97.81
O=C([O-])C12CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)OC2	REAL300020056046	0	34	-2.0	-87.26	304.90	3.05	-84.21
O=C([O-])C12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)OC2	REAL300020056046	1	34	-2.0	-87.24	304.95	3.04	-84.20
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056047	0	36	-2.0	-94.75	329.45	6.65	-88.10
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056047	1	36	-2.0	-94.69	329.49	6.66	-88.03
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2(CCC2)C1	REAL300020056048	0	39	-2.0	-87.22	330.50	6.16	-81.06
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2(CCC2)C1	REAL300020056048	1	39	-2.0	-87.20	330.54	6.16	-81.04
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056049	0	32	-2.0	-100.53	301.24	2.90	-97.63
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056049	1	32	-2.0	-100.51	301.20	2.91	-97.60
O=C([O-])C1=CSC2=C1NC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)=C2	REAL300020056050	0	33	-2.0	-89.57	320.13	4.48	-85.09
O=C([O-])C1=CSC2=C1NC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)=C2	REAL300020056050	1	33	-2.0	-89.53	320.17	4.49	-85.04
O=C([O-])C1=CC2=C(C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)N2)S1	REAL300020056051	0	33	-2.0	-89.92	320.30	4.63	-85.29
O=C([O-])C1=CC2=C(C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)N2)S1	REAL300020056051	1	33	-2.0	-89.87	320.34	4.62	-85.25
O=C([O-])C1=COC2=C1NC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)=C2	REAL300020056052	0	33	-2.0	-88.91	311.18	3.64	-85.27
O=C([O-])C1=COC2=C1NC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)=C2	REAL300020056052	1	33	-2.0	-89.06	311.51	3.63	-85.43
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056053	0	35	-2.0	-98.62	305.04	6.03	-92.59
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056053	1	35	-2.0	-98.63	305.09	6.02	-92.61
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020056054	0	35	-2.0	-96.61	324.96	4.90	-91.71
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020056054	1	35	-2.0	-96.57	325.00	4.89	-91.68
O=C([O-])C1=CSC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020056055	0	29	-2.0	-96.08	288.17	4.49	-91.59
O=C([O-])C1=CSC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020056055	1	29	-2.0	-96.07	288.21	4.48	-91.59
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056056	0	37	-2.0	-107.01	313.49	3.70	-103.31
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056056	1	37	-2.0	-107.00	313.52	3.69	-103.31
O=C([O-])C1=CC=CC2=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=CC=C12	REAL300020056057	0	38	-2.0	-94.64	330.72	7.55	-87.09
O=C([O-])C1=CC=CC2=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=CC=C12	REAL300020056057	1	38	-2.0	-94.64	330.76	7.55	-87.09
CC(C)[C@]1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C[C@H]1C(=O)[O-]	REAL300020056058	0	38	-2.0	-109.76	324.11	5.61	-104.15
CC(C)[C@]1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[C@H]1C(=O)[O-]	REAL300020056058	1	38	-2.0	-109.72	324.14	5.61	-104.11
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056059	0	38	-2.0	-106.69	336.32	6.61	-100.08
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056059	1	38	-2.0	-106.67	336.37	6.60	-100.07
O=C([O-])C1=CSC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020056060	0	32	-2.0	-105.88	311.17	5.28	-100.60
O=C([O-])C1=CSC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020056060	1	32	-2.0	-105.85	311.22	5.27	-100.58
O=C([O-])C1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1F	REAL300020056061	0	35	-2.0	-108.90	324.17	6.17	-102.73
O=C([O-])C1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1F	REAL300020056061	1	35	-2.0	-108.90	324.21	6.17	-102.73
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020056062	0	35	-2.0	-101.91	301.63	5.01	-96.90
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020056062	1	35	-2.0	-101.92	301.66	5.00	-96.92
O=C([O-])C1=C2CCCCC2=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300020056063	0	39	-2.0	-87.40	343.95	7.01	-80.39
O=C([O-])C1=C2CCCCC2=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300020056063	1	39	-2.0	-87.46	344.00	7.00	-80.46
O=C([O-])C12CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(CC1)CC2	REAL300020056064	0	42	-2.0	-92.03	338.55	6.35	-85.68
O=C([O-])C12CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(CC1)CC2	REAL300020056064	1	42	-2.0	-91.94	338.29	6.35	-85.59
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL300020056065	0	31	-2.0	-101.66	294.14	4.32	-97.34
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL300020056065	1	31	-2.0	-101.70	294.20	4.33	-97.37
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1Cl	REAL300020056066	0	31	-2.0	-83.48	304.74	4.12	-79.36
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1Cl	REAL300020056066	1	31	-2.0	-83.53	304.67	4.11	-79.42
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056067	0	31	-2.0	-85.89	292.21	3.70	-82.19
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056067	1	31	-2.0	-85.89	292.14	3.70	-82.19
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056068	0	31	-2.0	-88.27	299.33	3.48	-84.79
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056068	1	31	-2.0	-88.32	299.26	3.47	-84.85
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056069	0	31	-2.0	-85.89	292.21	3.70	-82.19
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056069	1	31	-2.0	-85.89	292.14	3.70	-82.19
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056070	0	34	-2.0	-98.37	287.72	5.24	-93.13
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056070	1	34	-2.0	-98.33	287.79	5.25	-93.08
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056071	0	34	-2.0	-98.37	287.72	5.24	-93.13
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056071	1	34	-2.0	-98.33	287.79	5.25	-93.08
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020056072	0	41	-2.0	-100.05	365.48	4.53	-95.52
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020056072	1	41	-2.0	-100.08	365.54	4.54	-95.54
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056073	0	41	-2.0	-110.74	348.94	4.04	-106.70
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056073	1	41	-2.0	-110.76	349.00	4.06	-106.70
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056074	0	41	-2.0	-92.64	359.54	3.84	-88.80
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056074	1	41	-2.0	-92.64	359.61	3.84	-88.80
CC(C)CN(CCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056075	0	39	-2.0	-85.26	325.35	6.09	-79.17
CC(C)CN(CCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056075	1	39	-2.0	-85.21	325.42	6.09	-79.12
CCCC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056076	0	36	-2.0	-91.77	305.03	3.47	-88.30
CCCC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056076	1	36	-2.0	-91.71	305.09	3.48	-88.23
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020056077	0	37	-2.0	-101.15	347.62	6.17	-94.98
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020056077	1	37	-2.0	-101.17	347.67	6.19	-94.98
O=C([O-])C(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020056078	0	37	-2.0	-105.72	326.98	5.39	-100.33
O=C([O-])C(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020056078	1	37	-2.0	-105.72	327.04	5.41	-100.31
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056079	0	37	-2.0	-91.05	336.93	5.16	-85.89
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056079	1	37	-2.0	-91.07	336.99	5.16	-85.91
O=C([O-])CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020056080	0	34	-2.0	-94.75	296.21	5.39	-89.36
O=C([O-])CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020056080	1	34	-2.0	-94.74	296.28	5.40	-89.34
O=C([O-])CCN(CC1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056081	0	37	-2.0	-94.89	324.40	6.44	-88.45
O=C([O-])CCN(CC1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056081	1	37	-2.0	-94.93	324.46	6.44	-88.49
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056082	0	36	-2.0	-95.40	309.15	5.67	-89.73
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056082	1	36	-2.0	-95.40	309.22	5.67	-89.73
O=C([O-])C1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056083	0	37	-2.0	-85.19	320.80	3.51	-81.68
O=C([O-])C1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056083	1	37	-2.0	-85.21	320.86	3.53	-81.68
O=C([O-])CN1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020056084	0	31	-2.0	-89.56	294.08	2.87	-86.69
O=C([O-])CN1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020056084	1	31	-2.0	-89.50	294.15	2.88	-86.62
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020056085	0	38	-2.0	-100.19	330.33	5.05	-95.14
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020056085	1	38	-2.0	-100.19	330.39	5.06	-95.13
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056086	0	38	-2.0	-84.33	340.94	4.84	-79.49
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056086	1	38	-2.0	-84.30	341.00	4.85	-79.45
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056087	0	34	-2.0	-88.12	318.16	3.83	-84.29
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056087	1	34	-2.0	-88.06	318.23	3.84	-84.22
CCOC1=CC=C(CC(CNC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300020056088	0	47	-2.0	-98.82	399.66	5.79	-93.03
CCOC1=CC=C(CC(CNC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300020056088	1	47	-2.0	-98.83	399.72	5.81	-93.02
CCOC1=CC=C(CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300020056089	0	47	-2.0	-92.56	410.30	5.58	-86.98
CCOC1=CC=C(CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300020056089	1	47	-2.0	-92.51	410.37	5.59	-86.92
O=C([O-])CN1C=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL300020056090	0	38	-2.0	-101.76	337.18	6.19	-95.57
O=C([O-])CN1C=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL300020056090	1	38	-2.0	-101.79	337.24	6.21	-95.58
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C21	REAL300020056091	0	38	-2.0	-87.87	347.76	5.99	-81.88
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C21	REAL300020056091	1	38	-2.0	-87.88	347.82	5.99	-81.89
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CCCC1=N[N-]N=N1	REAL300020056092	0	44	-2.0	-99.84	362.34	4.91	-94.93
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CCCC1=NN=N[N-]1	REAL300020056092	1	44	-2.0	-99.87	362.40	4.93	-94.94
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056093	0	44	-2.0	-89.26	370.04	5.32	-83.94
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056093	1	44	-2.0	-89.24	370.10	5.32	-83.92
O=C([O-])C1=C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020056094	0	37	-2.0	-103.63	333.22	4.68	-98.95
O=C([O-])C1=C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020056094	1	37	-2.0	-103.62	333.27	4.70	-98.92
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C2O1	REAL300020056095	0	37	-2.0	-94.52	343.80	4.46	-90.06
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C2O1	REAL300020056095	1	37	-2.0	-94.49	343.87	4.48	-90.01
O=C([O-])C1=C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2S1	REAL300020056096	0	37	-2.0	-104.19	338.81	5.29	-98.90
O=C([O-])C1=C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2S1	REAL300020056096	1	37	-2.0	-104.16	338.87	5.31	-98.85
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C2S1	REAL300020056097	0	37	-2.0	-94.45	349.40	5.08	-89.37
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C2S1	REAL300020056097	1	37	-2.0	-94.40	349.47	5.09	-89.31
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1C(=O)[O-]	REAL300020056098	0	34	-2.0	-85.48	308.26	4.26	-81.22
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1C(=O)[O-]	REAL300020056098	1	34	-2.0	-85.50	308.19	4.26	-81.24
O=C([O-])CSCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056099	0	38	-2.0	-94.26	348.34	6.06	-88.20
O=C([O-])CSCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056099	1	38	-2.0	-94.24	348.40	6.08	-88.16
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056100	0	38	-2.0	-88.09	358.63	5.86	-82.23
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056100	1	38	-2.0	-84.91	358.99	5.87	-79.04
O=C([O-])CCSCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056101	0	41	-2.0	-92.30	370.02	6.86	-85.44
O=C([O-])CCSCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056101	1	41	-2.0	-92.31	370.07	6.88	-85.43
O=C([O-])CCSCC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056102	0	41	-2.0	-82.42	380.67	6.67	-75.75
O=C([O-])CCSCC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056102	1	41	-2.0	-85.50	380.31	6.66	-78.84
O=C([O-])CSCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056103	0	31	-2.0	-83.01	303.43	2.30	-80.71
O=C([O-])CSCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056103	1	31	-2.0	-82.99	303.50	2.31	-80.68
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC(F)=C1	REAL300020056104	0	40	-2.0	-93.79	354.76	5.63	-88.16
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC(F)=C1	REAL300020056104	1	40	-2.0	-93.81	354.82	5.65	-88.16
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC(F)=C1	REAL300020056105	0	40	-2.0	-94.62	365.31	5.42	-89.20
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC(F)=C1	REAL300020056105	1	40	-2.0	-94.64	365.38	5.43	-89.21
CC1=CC=CC(CC(CNC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300020056106	0	43	-2.0	-99.19	369.72	6.23	-92.96
CC1=CC=CC(CC(CNC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300020056106	1	43	-2.0	-99.20	369.78	6.25	-92.95
CC1=CC=CC(CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])=C1	REAL300020056107	0	43	-2.0	-93.80	380.31	6.02	-87.78
CC1=CC=CC(CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])=C1	REAL300020056107	1	43	-2.0	-93.75	380.38	6.03	-87.72
CC1=CC=C(CC(CNC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300020056108	0	43	-2.0	-98.76	369.76	6.24	-92.52
CC1=CC=C(CC(CNC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300020056108	1	43	-2.0	-98.76	369.82	6.26	-92.50
CC1=CC=C(CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300020056109	0	43	-2.0	-93.33	380.31	6.03	-87.30
CC1=CC=C(CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300020056109	1	43	-2.0	-93.28	380.38	6.04	-87.24
O=C([O-])C1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056110	0	37	-2.0	-85.19	320.80	3.51	-81.68
O=C([O-])C1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056110	1	37	-2.0	-85.21	320.86	3.53	-81.68
CC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300020056111	0	40	-2.0	-98.18	345.67	5.38	-92.80
CC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300020056111	1	40	-2.0	-98.26	345.73	5.39	-92.87
CC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300020056112	0	40	-2.0	-91.44	355.38	5.53	-85.91
CC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300020056112	1	40	-2.0	-91.42	355.45	5.53	-85.89
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1	REAL300020056113	0	48	-2.0	-119.56	397.74	7.00	-112.56
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1	REAL300020056113	1	48	-2.0	-119.62	397.80	7.01	-112.61
O=C([O-])C1=CSC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020056114	0	30	-2.0	-92.10	304.34	0.88	-91.22
O=C([O-])C1=CSC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020056114	1	30	-2.0	-92.08	304.41	0.88	-91.20
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC2=CC=CC=C2C=C1	REAL300020056115	0	46	-2.0	-102.52	394.27	7.82	-94.70
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC2=CC=CC=C2C=C1	REAL300020056115	1	46	-2.0	-102.53	394.33	7.84	-94.69
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC2=CC=CC=C21	REAL300020056116	0	46	-2.0	-95.50	381.82	7.79	-87.71
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC2=CC=CC=C21	REAL300020056116	1	46	-2.0	-95.51	381.88	7.81	-87.70
O=C([O-])COC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056117	0	38	-2.0	-96.61	338.64	4.32	-92.29
O=C([O-])COC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056117	1	38	-2.0	-96.64	338.69	4.34	-92.30
O=C([O-])COC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056118	0	38	-2.0	-88.30	349.23	4.12	-84.18
O=C([O-])COC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056118	1	38	-2.0	-88.34	349.29	4.12	-84.22
O=C([O-])CCCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056119	0	44	-2.0	-93.71	381.08	5.22	-88.49
O=C([O-])CCCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056119	1	44	-2.0	-93.77	381.13	5.23	-88.54
O=C([O-])CCCOC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056120	0	44	-2.0	-85.24	391.67	5.00	-80.24
O=C([O-])CCCOC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056120	1	44	-2.0	-85.23	391.74	5.01	-80.22
O=C([O-])CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300020056121	0	35	-2.0	-86.93	304.76	3.41	-83.52
O=C([O-])CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300020056121	1	35	-2.0	-86.94	304.82	3.42	-83.52
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300020056122	0	34	-2.0	-89.61	300.60	3.09	-86.52
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300020056122	1	34	-2.0	-89.54	300.67	3.09	-86.45
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(Cl)=C1	REAL300020056123	0	31	-2.0	-93.19	298.48	4.43	-88.76
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(Cl)=C1	REAL300020056123	1	31	-2.0	-93.23	298.54	4.44	-88.79
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056124	0	31	-2.0	-89.33	309.14	4.22	-85.11
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056124	1	31	-2.0	-89.38	309.07	4.21	-85.17
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300020056125	0	37	-2.0	-90.44	318.86	3.77	-86.67
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300020056125	1	37	-2.0	-90.41	318.93	3.77	-86.64
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300020056126	0	48	-2.0	-104.49	396.73	5.83	-98.66
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300020056126	1	48	-2.0	-104.51	396.78	5.84	-98.67
CC(C)CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056127	0	39	-2.0	-87.17	331.70	3.84	-83.33
CC(C)CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056127	1	39	-2.0	-87.16	331.77	3.85	-83.31
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020056128	0	37	-2.0	-98.43	325.05	4.98	-93.45
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020056128	1	37	-2.0	-98.46	325.11	5.00	-93.46
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020056129	0	37	-2.0	-92.10	335.64	4.78	-87.32
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020056129	1	37	-2.0	-92.08	335.73	4.79	-87.29
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300020056130	0	34	-2.0	-95.93	308.49	4.25	-91.68
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300020056130	1	34	-2.0	-95.95	308.43	4.24	-91.71
O=C([O-])COC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056131	0	41	-2.0	-100.36	360.13	5.09	-95.27
O=C([O-])COC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056131	1	41	-2.0	-100.30	360.19	5.11	-95.19
O=C([O-])COC1=CC=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056132	0	41	-2.0	-86.44	370.72	4.90	-81.54
O=C([O-])COC1=CC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056132	1	41	-2.0	-86.43	370.79	4.90	-81.53
CS(=O)(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300020056133	0	37	-2.0	-120.43	342.14	1.46	-118.97
CS(=O)(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300020056133	1	37	-2.0	-120.43	342.20	1.47	-118.96
CS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(C(=O)[O-])=C1	REAL300020056134	0	37	-2.0	-100.46	353.06	1.24	-99.22
CS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(C(=O)[O-])=C1	REAL300020056134	1	37	-2.0	-100.54	352.98	1.23	-99.31
O=C([O-])C1(F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056135	0	31	-2.0	-82.58	283.75	3.67	-78.91
O=C([O-])C1(F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056135	1	31	-2.0	-82.55	283.82	3.68	-78.87
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056136	0	34	-2.0	-96.66	309.90	4.58	-92.08
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056136	1	34	-2.0	-96.69	309.84	4.57	-92.12
O=C([O-])C1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056137	0	31	-2.0	-95.95	292.42	3.71	-92.24
O=C([O-])C1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056137	1	31	-2.0	-95.93	292.35	3.71	-92.22
O=C([O-])CCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056138	0	36	-2.0	-84.83	323.40	3.29	-81.54
O=C([O-])CCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056138	1	36	-2.0	-84.75	323.47	3.30	-81.45
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCCC2=N[N-]N=N2)O1	REAL300020056139	0	37	-2.0	-101.79	326.72	5.14	-96.65
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCCC2=NN=N[N-]2)O1	REAL300020056139	1	37	-2.0	-101.86	326.78	5.15	-96.71
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300020056140	0	37	-2.0	-90.53	334.41	5.53	-85.00
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300020056140	1	37	-2.0	-90.52	334.48	5.54	-84.98
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL300020056141	0	38	-2.0	-89.60	316.23	2.50	-87.10
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOCC1	REAL300020056141	1	38	-2.0	-89.59	316.30	2.49	-87.10
CC(C)(C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056142	0	36	-2.0	-91.83	310.18	3.23	-88.60
CC(C)(C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056142	1	36	-2.0	-91.80	310.25	3.23	-88.57
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056143	0	36	-2.0	-80.44	299.84	2.91	-77.53
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056143	1	36	-2.0	-80.39	299.91	2.92	-77.47
O=C([O-])C1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056144	0	32	-2.0	-94.01	278.50	2.91	-91.10
O=C([O-])C1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056144	1	32	-2.0	-94.05	278.57	2.92	-91.13
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL300020056145	0	40	-2.0	-92.23	324.57	4.98	-87.25
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL300020056145	1	40	-2.0	-92.19	324.63	4.99	-87.20
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300020056146	0	34	-2.0	-91.59	300.96	3.23	-88.36
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300020056146	1	34	-2.0	-91.60	301.02	3.23	-88.37
O=C([O-])CC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056147	0	34	-2.0	-91.21	310.38	4.67	-86.54
O=C([O-])CC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056147	1	34	-2.0	-91.23	310.44	4.67	-86.56
CC(C(=O)[O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020056148	0	40	-2.0	-107.49	332.36	5.32	-102.17
CC(C(=O)[O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020056148	1	40	-2.0	-107.48	332.41	5.34	-102.14
CC(C(=O)[O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020056149	0	40	-2.0	-90.11	345.09	5.23	-84.88
CC(C(=O)[O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020056149	1	40	-2.0	-90.15	345.16	5.24	-84.91
O=C([O-])CN(CCC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL300020056150	0	33	-2.0	-92.95	306.61	4.99	-87.96
O=C([O-])CN(CCC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL300020056150	1	33	-2.0	-92.95	306.67	5.01	-87.94
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056151	0	33	-2.0	-92.47	312.34	5.54	-86.93
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056151	1	33	-2.0	-92.40	312.41	5.54	-86.86
O=C([O-])COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020056152	0	41	-2.0	-103.16	354.92	6.64	-96.52
O=C([O-])COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020056152	1	41	-2.0	-103.12	354.97	6.65	-96.47
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C12	REAL300020056153	0	41	-2.0	-85.84	365.50	6.42	-79.42
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C12	REAL300020056153	1	41	-2.0	-85.88	365.57	6.43	-79.45
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020056154	0	34	-2.0	-89.73	300.29	4.03	-85.70
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020056154	1	34	-2.0	-89.74	300.36	4.03	-85.71
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056155	0	41	-2.0	-99.69	360.27	3.16	-96.53
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056155	1	41	-2.0	-99.71	360.33	3.17	-96.54
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056156	0	41	-2.0	-85.93	370.92	2.95	-82.98
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056156	1	41	-2.0	-86.00	370.86	2.95	-83.05
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1F	REAL300020056157	0	31	-2.0	-97.19	296.98	3.75	-93.44
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1F	REAL300020056157	1	31	-2.0	-97.21	296.91	3.73	-93.48
O=C([O-])C1=CC(C#CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2)=CC=C1	REAL300020056158	0	43	-2.0	-106.25	390.62	9.10	-97.15
O=C([O-])C1=CC(C#CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2)=CC=C1	REAL300020056158	1	43	-2.0	-107.14	390.67	9.12	-98.02
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL300020056159	0	31	-2.0	-115.76	293.98	4.32	-111.44
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL300020056159	1	31	-2.0	-115.83	294.04	4.34	-111.49
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1Cl	REAL300020056160	0	31	-2.0	-93.59	304.93	4.11	-89.48
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1Cl	REAL300020056160	1	31	-2.0	-93.62	304.87	4.10	-89.52
O=C([O-])C1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056161	0	34	-2.0	-91.26	318.17	3.83	-87.43
O=C([O-])C1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056161	1	34	-2.0	-91.26	318.24	3.83	-87.43
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056162	0	41	-2.0	-95.51	362.59	3.19	-92.32
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056162	1	41	-2.0	-95.56	362.65	3.21	-92.35
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056163	0	41	-2.0	-82.53	373.24	2.99	-79.54
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056163	1	41	-2.0	-82.57	373.17	2.98	-79.59
O=C([O-])COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056164	0	35	-2.0	-111.67	312.81	4.19	-107.48
O=C([O-])COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056164	1	35	-2.0	-111.71	312.87	4.21	-107.50
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056165	0	35	-2.0	-91.32	323.12	3.99	-87.33
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056165	1	35	-2.0	-91.31	323.18	4.00	-87.31
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056166	0	37	-2.0	-105.82	324.72	6.16	-99.66
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056166	1	37	-2.0	-105.83	324.78	6.17	-99.66
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056167	0	37	-2.0	-91.79	332.59	6.54	-85.25
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056167	1	37	-2.0	-91.82	332.66	6.56	-85.26
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300020056168	0	34	-2.0	-87.92	319.22	2.79	-85.13
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300020056168	1	34	-2.0	-87.86	319.28	2.80	-85.06
O=C([O-])CCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056169	0	39	-2.0	-84.69	344.90	4.07	-80.62
O=C([O-])CCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056169	1	39	-2.0	-84.70	344.97	4.08	-80.62
O=C([O-])CCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056170	0	39	-2.0	-84.69	344.90	4.07	-80.62
O=C([O-])CCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056170	1	39	-2.0	-84.70	344.97	4.08	-80.62
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056171	0	40	-2.0	-103.38	334.85	5.55	-97.83
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056171	1	40	-2.0	-103.38	334.90	5.57	-97.81
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056172	0	40	-2.0	-86.78	345.16	5.35	-81.43
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056172	1	40	-2.0	-86.81	345.22	5.36	-81.45
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056173	0	34	-2.0	-93.12	296.18	4.06	-89.06
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056173	1	34	-2.0	-93.12	296.24	4.09	-89.03
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020056174	0	34	-2.0	-95.17	315.56	4.17	-91.00
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020056174	1	34	-2.0	-95.16	315.63	4.20	-90.96
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300020056175	0	32	-2.0	-85.35	284.81	2.81	-82.54
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300020056175	1	32	-2.0	-85.33	284.88	2.81	-82.52
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056176	0	36	-2.0	-90.93	308.97	3.09	-87.84
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056176	1	36	-2.0	-90.90	309.04	3.09	-87.81
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020056177	0	37	-2.0	-101.82	325.91	4.80	-97.02
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020056177	1	37	-2.0	-101.83	325.97	4.82	-97.01
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1	REAL300020056178	0	37	-2.0	-88.05	343.52	5.30	-82.75
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1	REAL300020056178	1	37	-2.0	-88.00	343.59	5.30	-82.70
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020056179	0	41	-2.0	-114.99	350.18	4.95	-110.04
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020056179	1	41	-2.0	-115.00	350.24	4.97	-110.03
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056180	0	41	-2.0	-94.67	360.03	4.70	-89.97
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056180	1	41	-2.0	-94.74	359.97	4.69	-90.05
O=C([O-])CN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056181	0	37	-2.0	-96.11	325.99	6.86	-89.25
O=C([O-])CN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056181	1	37	-2.0	-96.12	326.04	6.88	-89.24
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056182	0	37	-2.0	-96.60	332.00	7.41	-89.19
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056182	1	37	-2.0	-96.59	332.07	7.41	-89.18
COC1=CC(CN(CC(=O)[O-])C(=O)CCCC2=N[N-]N=N2)=CC(OC)=C1	REAL300020056183	0	45	-2.0	-99.74	384.97	5.47	-94.27
COC1=CC(CN(CC(=O)[O-])C(=O)CCCC2=NN=N[N-]2)=CC(OC)=C1	REAL300020056183	1	45	-2.0	-99.75	385.03	5.48	-94.27
COC1=CC(CN(CC(=O)[O-])C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(OC)=C1	REAL300020056184	0	45	-2.0	-100.12	390.99	6.01	-94.11
COC1=CC(CN(CC(=O)[O-])C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(OC)=C1	REAL300020056184	1	45	-2.0	-100.09	391.06	6.02	-94.07
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020056185	0	34	-2.0	-103.65	326.22	5.02	-98.63
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020056185	1	34	-2.0	-103.69	326.28	5.04	-98.65
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C2C1	REAL300020056186	0	38	-2.0	-113.36	322.92	5.81	-107.55
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C2C1	REAL300020056186	1	38	-2.0	-113.37	322.98	5.83	-107.54
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2=CC=CC=C2C1	REAL300020056187	0	38	-2.0	-96.83	334.89	5.70	-91.13
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2=CC=CC=C2C1	REAL300020056187	1	38	-2.0	-96.78	334.95	5.70	-91.08
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC(F)=CC=C1F	REAL300020056188	0	34	-2.0	-108.41	315.80	4.55	-103.86
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC(F)=CC=C1F	REAL300020056188	1	34	-2.0	-108.42	315.86	4.56	-103.86
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC(F)=CC=C1F	REAL300020056189	0	34	-2.0	-95.00	326.34	4.35	-90.65
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC(F)=CC=C1F	REAL300020056189	1	34	-2.0	-94.98	326.42	4.35	-90.63
CC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056190	0	37	-2.0	-111.52	312.76	5.37	-106.15
CC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056190	1	37	-2.0	-111.52	312.82	5.39	-106.13
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056191	0	37	-2.0	-95.70	323.35	5.18	-90.52
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056191	1	37	-2.0	-95.69	323.42	5.19	-90.50
O=C([O-])CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020056192	0	40	-2.0	-108.21	339.55	5.61	-102.60
O=C([O-])CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020056192	1	40	-2.0	-108.21	339.61	5.63	-102.58
O=C([O-])CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020056193	0	40	-2.0	-92.34	350.13	5.40	-86.94
O=C([O-])CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020056193	1	40	-2.0	-92.35	350.20	5.41	-86.94
CC(C(=O)[O-])N(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020056194	0	34	-2.0	-87.68	294.46	4.73	-82.95
CC(C(=O)[O-])N(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020056194	1	34	-2.0	-87.59	294.51	4.73	-82.86
CC(C)(CCC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056195	0	36	-2.0	-83.54	306.94	2.75	-80.79
CC(C)(CCC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056195	1	36	-2.0	-83.47	307.01	2.76	-80.71
COCCN(CCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056196	0	37	-2.0	-87.23	326.24	3.97	-83.26
COCCN(CCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056196	1	37	-2.0	-87.21	326.31	3.98	-83.23
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056197	0	36	-2.0	-95.45	305.10	5.23	-90.22
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056197	1	36	-2.0	-95.42	305.17	5.23	-90.19
COCCN(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056198	0	34	-2.0	-96.91	304.38	3.55	-93.36
COCCN(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056198	1	34	-2.0	-96.88	304.45	3.56	-93.32
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CCC2=CC=CC=C21	REAL300020056199	0	38	-2.0	-119.15	320.00	5.71	-113.44
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CCC2=CC=CC=C21	REAL300020056199	1	38	-2.0	-119.10	320.05	5.72	-113.38
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC2=CC=CC=C21	REAL300020056200	0	38	-2.0	-100.66	330.24	5.49	-95.17
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC2=CC=CC=C21	REAL300020056200	1	38	-2.0	-100.65	330.31	5.49	-95.16
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL300020056201	0	46	-2.0	-92.97	378.68	5.52	-87.45
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL300020056201	1	46	-2.0	-92.93	378.74	5.54	-87.39
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056202	0	46	-2.0	-94.22	380.14	6.13	-88.09
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056202	1	46	-2.0	-94.17	380.20	6.13	-88.04
O=C([O-])CCN(CC1CCCO1)C(=O)CCCC1=N[N-]N=N1	REAL300020056203	0	41	-2.0	-94.42	341.33	4.92	-89.50
O=C([O-])CCN(CC1CCCO1)C(=O)CCCC1=NN=N[N-]1	REAL300020056203	1	41	-2.0	-94.40	341.39	4.93	-89.47
O=C([O-])CCN(CC1CCCO1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056204	0	41	-2.0	-98.55	347.51	5.41	-93.14
O=C([O-])CCN(CC1CCCO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056204	1	41	-2.0	-98.50	347.58	5.43	-93.07
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056205	0	49	-2.0	-106.10	395.64	7.07	-99.03
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056205	1	49	-2.0	-106.11	395.70	7.08	-99.03
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056206	0	49	-2.0	-91.69	413.32	7.55	-84.14
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056206	1	49	-2.0	-91.65	413.39	7.55	-84.10
O=C([O-])CC1CSCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056207	0	35	-2.0	-92.96	303.77	5.78	-87.18
O=C([O-])CC1CSCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056207	1	35	-2.0	-92.95	303.84	5.80	-87.15
O=C([O-])CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300020056208	0	38	-2.0	-96.46	318.79	4.43	-92.03
O=C([O-])CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300020056208	1	38	-2.0	-96.46	318.85	4.43	-92.03
O=C([O-])CCN(C(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL300020056209	0	41	-2.0	-91.59	332.54	4.20	-87.39
O=C([O-])CCN(C(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL300020056209	1	41	-2.0	-91.60	332.60	4.22	-87.38
O=C([O-])CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300020056210	0	41	-2.0	-95.72	338.74	4.90	-90.82
O=C([O-])CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300020056210	1	41	-2.0	-95.67	338.81	4.90	-90.77
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020056211	0	38	-2.0	-110.39	320.49	6.57	-103.82
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020056211	1	38	-2.0	-110.37	320.55	6.58	-103.79
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056212	0	38	-2.0	-100.45	328.41	6.71	-93.74
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056212	1	38	-2.0	-100.40	328.48	6.73	-93.67
COC1=CC(C(=O)[O-])=CC(NC(=O)CCCC2=N[N-]N=N2)=C1OC	REAL300020056213	0	39	-2.0	-110.36	343.34	3.34	-107.02
COC1=CC(C(=O)[O-])=CC(NC(=O)CCCC2=NN=N[N-]2)=C1OC	REAL300020056213	1	39	-2.0	-110.42	343.40	3.36	-107.06
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1OC	REAL300020056214	0	39	-2.0	-90.33	354.01	3.14	-87.19
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1OC	REAL300020056214	1	39	-2.0	-90.36	353.94	3.13	-87.23
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2S1	REAL300020056215	0	34	-2.0	-96.38	319.88	5.41	-90.97
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2S1	REAL300020056215	1	34	-2.0	-96.35	319.94	5.43	-90.92
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C2S1	REAL300020056216	0	34	-2.0	-84.23	330.14	5.22	-79.01
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C2S1	REAL300020056216	1	34	-2.0	-84.28	330.07	5.21	-79.07
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056217	0	36	-2.0	-96.05	305.86	5.84	-90.21
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056217	1	36	-2.0	-96.02	305.92	5.85	-90.17
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056218	0	34	-2.0	-86.62	309.66	4.56	-82.06
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056218	1	34	-2.0	-86.61	309.59	4.56	-82.05
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020056219	0	34	-2.0	-103.75	321.66	4.92	-98.83
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020056219	1	34	-2.0	-103.81	321.72	4.93	-98.88
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300020056220	0	34	-2.0	-90.21	332.30	4.70	-85.51
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300020056220	1	34	-2.0	-90.19	332.36	4.72	-85.47
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056221	0	34	-2.0	-90.15	314.21	4.49	-85.66
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056221	1	34	-2.0	-84.77	314.57	4.50	-80.27
O=C([O-])CCCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056222	0	41	-2.0	-98.20	355.01	5.10	-93.10
O=C([O-])CCCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056222	1	41	-2.0	-98.24	355.06	5.11	-93.13
O=C([O-])CCCOC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056223	0	41	-2.0	-83.97	365.65	4.89	-79.08
O=C([O-])CCCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056223	1	41	-2.0	-83.95	365.58	4.88	-79.07
CCCCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056224	0	39	-2.0	-90.10	343.64	4.50	-85.60
CCCCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056224	1	39	-2.0	-90.05	343.71	4.51	-85.54
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020056225	0	34	-2.0	-110.30	316.92	4.82	-105.48
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020056225	1	34	-2.0	-110.27	316.97	4.83	-105.44
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1Cl	REAL300020056226	0	34	-2.0	-95.37	328.26	4.65	-90.72
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1Cl	REAL300020056226	1	34	-2.0	-95.33	328.32	4.67	-90.66
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL300020056227	0	34	-2.0	-113.77	309.12	4.54	-109.23
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL300020056227	1	34	-2.0	-113.81	309.18	4.56	-109.25
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1F	REAL300020056228	0	34	-2.0	-97.90	319.74	4.36	-93.54
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1F	REAL300020056228	1	34	-2.0	-97.86	319.81	4.36	-93.50
O=C([O-])C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020056229	0	37	-2.0	-101.65	340.92	5.41	-96.24
O=C([O-])C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020056229	1	37	-2.0	-101.63	340.98	5.42	-96.21
O=C([O-])C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020056230	0	37	-2.0	-101.81	336.35	5.31	-96.50
O=C([O-])C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020056230	1	37	-2.0	-101.79	336.41	5.32	-96.47
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300020056231	0	37	-2.0	-84.56	346.77	5.06	-79.50
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300020056231	1	37	-2.0	-84.58	346.83	5.06	-79.52
CC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300020056232	0	37	-2.0	-108.93	326.39	5.08	-103.85
CC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300020056232	1	37	-2.0	-108.90	326.44	5.09	-103.81
CC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300020056233	0	37	-2.0	-95.06	336.33	4.91	-90.15
CC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300020056233	1	37	-2.0	-95.04	336.40	4.92	-90.12
COCC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056234	0	34	-2.0	-94.53	301.77	2.01	-92.52
COCC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056234	1	34	-2.0	-94.53	301.84	2.01	-92.52
O=C([O-])COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL300020056235	0	35	-2.0	-97.79	328.57	4.74	-93.05
O=C([O-])COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL300020056235	1	35	-2.0	-97.85	328.63	4.75	-93.10
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1Cl	REAL300020056236	0	35	-2.0	-85.09	339.43	4.51	-80.58
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1Cl	REAL300020056236	1	35	-2.0	-84.90	339.22	4.53	-80.37
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)C(OC)=C1	REAL300020056237	0	45	-2.0	-105.25	383.77	4.26	-100.99
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)C(OC)=C1	REAL300020056237	1	45	-2.0	-105.19	383.82	4.27	-100.92
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(OC)=C1	REAL300020056238	0	45	-2.0	-96.16	394.15	4.22	-91.94
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(OC)=C1	REAL300020056238	1	45	-2.0	-96.18	394.22	4.22	-91.96
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL300020056239	0	40	-2.0	-100.81	342.96	6.14	-94.67
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL300020056239	1	40	-2.0	-100.80	343.02	6.16	-94.64
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056240	0	40	-2.0	-92.09	353.08	6.02	-86.07
CC1=CC=CC=C1C(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056240	1	40	-2.0	-92.09	353.15	6.04	-86.05
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL300020056241	0	40	-2.0	-100.51	341.88	6.07	-94.44
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL300020056241	1	40	-2.0	-100.51	341.94	6.09	-94.42
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056242	0	40	-2.0	-92.15	352.68	6.04	-86.11
CC1=CC=CC=C1[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056242	1	40	-2.0	-92.12	352.73	6.05	-86.07
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056243	0	37	-2.0	-90.62	318.21	1.91	-88.71
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056243	1	37	-2.0	-90.62	318.29	1.92	-88.70
CCC(CC)(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056244	0	39	-2.0	-80.64	316.51	3.79	-76.85
CCC(CC)(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056244	1	39	-2.0	-80.56	316.58	3.81	-76.75
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1	REAL300020056245	0	32	-2.0	-90.31	285.09	0.83	-89.48
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1	REAL300020056245	1	32	-2.0	-90.30	285.16	0.83	-89.47
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020056246	0	37	-2.0	-101.43	359.80	6.38	-95.05
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020056246	1	37	-2.0	-101.44	359.85	6.40	-95.04
COC1=CC=CC=C1CC(CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020056247	0	44	-2.0	-100.06	371.19	5.67	-94.39
COC1=CC=CC=C1CC(CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020056247	1	44	-2.0	-100.06	371.25	5.69	-94.37
COC1=CC=CC=C1CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056248	0	44	-2.0	-90.96	381.61	4.78	-86.18
COC1=CC=CC=C1CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056248	1	44	-2.0	-90.91	381.68	4.78	-86.13
CCC(CC)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056249	0	39	-2.0	-90.77	326.00	3.40	-87.37
CCC(CC)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056249	1	39	-2.0	-90.75	326.06	3.41	-87.34
C=CC(C)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056250	0	34	-2.0	-89.33	309.41	3.27	-86.06
C=CC(C)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056250	1	34	-2.0	-89.27	309.48	3.29	-85.98
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)OC1=CC=C(F)C=C1	REAL300020056251	0	38	-2.0	-96.38	342.56	4.35	-92.03
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)OC1=CC=C(F)C=C1	REAL300020056251	1	38	-2.0	-96.41	342.61	4.37	-92.04
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC1=CC=C(F)C=C1	REAL300020056252	0	38	-2.0	-83.44	352.94	4.21	-79.23
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC1=CC=C(F)C=C1	REAL300020056252	1	38	-2.0	-83.43	353.01	4.21	-79.22
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300020056253	0	34	-2.0	-100.83	317.63	4.52	-96.31
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300020056253	1	34	-2.0	-100.88	317.69	4.54	-96.34
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C(F)=C1	REAL300020056254	0	34	-2.0	-88.86	328.03	4.39	-84.47
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C(F)=C1	REAL300020056254	1	34	-2.0	-88.82	328.10	4.39	-84.43
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300020056255	0	34	-2.0	-100.80	326.92	5.02	-95.78
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300020056255	1	34	-2.0	-100.75	326.97	5.04	-95.71
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C(F)=C1	REAL300020056256	0	34	-2.0	-89.24	338.16	4.77	-84.47
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C(F)=C1	REAL300020056256	1	34	-2.0	-89.20	338.23	4.77	-84.43
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056257	0	31	-2.0	-88.40	298.03	3.85	-84.55
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056257	1	31	-2.0	-88.47	297.96	3.84	-84.63
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1CC1	REAL300020056258	0	34	-2.0	-92.96	293.04	3.47	-89.49
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1CC1	REAL300020056258	1	34	-2.0	-92.94	293.10	3.47	-89.47
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020056259	0	37	-2.0	-101.83	340.79	5.36	-96.47
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020056259	1	37	-2.0	-101.83	340.85	5.38	-96.45
CSC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056260	0	41	-2.0	-105.81	359.69	5.76	-100.05
CSC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056260	1	41	-2.0	-105.81	359.75	5.77	-100.04
CSC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056261	0	41	-2.0	-90.47	377.32	6.25	-84.22
CSC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056261	1	41	-2.0	-90.42	377.39	6.25	-84.17
O=C([O-])CCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056262	0	37	-2.0	-97.91	325.03	5.51	-92.40
O=C([O-])CCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056262	1	37	-2.0	-97.92	325.08	5.52	-92.40
O=C([O-])CCC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056263	0	37	-2.0	-83.16	335.60	5.30	-77.86
O=C([O-])CCC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056263	1	37	-2.0	-83.21	335.67	5.30	-77.91
CCC1CCC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])CC1	REAL300020056264	0	43	-2.0	-112.09	337.39	5.97	-106.12
CCC1CCC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])CC1	REAL300020056264	1	43	-2.0	-112.15	337.45	5.99	-106.16
CCC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])CC1	REAL300020056265	0	43	-2.0	-92.78	341.63	5.09	-87.69
CCC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])CC1	REAL300020056265	1	43	-2.0	-92.74	341.70	5.09	-87.65
O=C([O-])C1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL300020056266	0	38	-2.0	-97.20	323.99	6.32	-90.88
O=C([O-])C1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL300020056266	1	38	-2.0	-97.18	324.05	6.34	-90.84
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2=C1	REAL300020056267	0	38	-2.0	-96.21	331.32	6.57	-89.64
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2=C1	REAL300020056267	1	38	-2.0	-96.25	331.39	6.58	-89.67
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056268	0	37	-2.0	-87.01	305.50	4.66	-82.35
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056268	1	37	-2.0	-87.01	305.57	4.67	-82.34
O=C([O-])C1=CC(CCNC(=O)CCCC2=N[N-]N=N2)=CC=C1	REAL300020056269	0	37	-2.0	-106.04	329.08	4.81	-101.23
O=C([O-])C1=CC(CCNC(=O)CCCC2=NN=N[N-]2)=CC=C1	REAL300020056269	1	37	-2.0	-106.06	329.13	4.82	-101.24
O=C([O-])C1=CC=CC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056270	0	37	-2.0	-91.98	339.67	4.60	-87.38
O=C([O-])C1=CC=CC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056270	1	37	-2.0	-91.99	339.74	4.61	-87.38
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056271	0	42	-2.0	-84.75	366.40	4.85	-79.90
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056271	1	42	-2.0	-84.70	366.47	4.86	-79.84
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056272	0	42	-2.0	-84.75	366.40	4.85	-79.90
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056272	1	42	-2.0	-84.70	366.47	4.86	-79.84
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056273	0	43	-2.0	-98.35	366.88	7.97	-90.38
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056273	1	43	-2.0	-98.35	366.94	7.98	-90.37
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056274	0	43	-2.0	-97.09	373.45	8.68	-88.41
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056274	1	43	-2.0	-97.07	373.52	8.69	-88.38
O=C([O-])CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056275	0	40	-2.0	-85.39	333.06	5.80	-79.59
O=C([O-])CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056275	1	40	-2.0	-85.42	333.13	5.81	-79.61
CC(C)(C(=O)[O-])C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020056276	0	43	-2.0	-116.79	334.73	5.59	-111.20
CC(C)(C(=O)[O-])C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020056276	1	43	-2.0	-116.85	334.79	5.61	-111.24
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056277	0	43	-2.0	-87.01	341.59	5.77	-81.24
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056277	1	43	-2.0	-86.98	341.65	5.79	-81.19
O=C([O-])COC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056278	0	35	-2.0	-111.67	312.81	4.19	-107.48
O=C([O-])COC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056278	1	35	-2.0	-111.71	312.87	4.21	-107.50
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056279	0	35	-2.0	-91.32	323.12	3.99	-87.33
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056279	1	35	-2.0	-91.31	323.18	4.00	-87.31
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056280	0	44	-2.0	-109.32	362.69	4.91	-104.41
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056280	1	44	-2.0	-109.37	362.74	4.93	-104.44
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056281	0	44	-2.0	-97.12	370.37	5.32	-91.80
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056281	1	44	-2.0	-97.11	370.44	5.32	-91.79
CCCCCCC(C)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020056282	0	45	-2.0	-109.20	358.93	5.99	-103.21
CCCCCCC(C)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020056282	1	45	-2.0	-109.20	358.99	6.00	-103.20
CCCCCCC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056283	0	45	-2.0	-92.15	369.52	5.80	-86.35
CCCCCCC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056283	1	45	-2.0	-92.18	369.59	5.82	-86.36
O=C([O-])C1=CC=C(OCCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056284	0	38	-2.0	-97.54	337.37	3.67	-93.87
O=C([O-])C1=CC=C(OCCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056284	1	38	-2.0	-97.57	337.43	3.68	-93.89
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056285	0	38	-2.0	-90.36	347.96	3.46	-86.90
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056285	1	38	-2.0	-90.34	348.03	3.47	-86.87
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300020056286	0	31	-2.0	-88.17	300.97	2.33	-85.84
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300020056286	1	31	-2.0	-88.13	301.04	2.33	-85.80
O=C([O-])CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056287	0	40	-2.0	-86.33	332.71	5.82	-80.51
O=C([O-])CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056287	1	40	-2.0	-86.37	332.78	5.83	-80.54
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCCC1=N[N-]N=N1	REAL300020056288	0	41	-2.0	-112.87	360.88	5.33	-107.54
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCCC1=NN=N[N-]1	REAL300020056288	1	41	-2.0	-112.85	360.94	5.35	-107.50
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056289	0	41	-2.0	-95.46	366.85	5.21	-90.25
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056289	1	41	-2.0	-95.42	366.92	5.21	-90.21
COC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300020056290	0	38	-2.0	-100.28	334.88	4.10	-96.18
COC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300020056290	1	38	-2.0	-100.28	334.93	4.11	-96.17
COC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1C(=O)[O-]	REAL300020056291	0	38	-2.0	-93.23	345.47	3.88	-89.35
COC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1C(=O)[O-]	REAL300020056291	1	38	-2.0	-93.24	345.54	3.89	-89.35
CCCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056292	0	36	-2.0	-90.33	322.38	3.67	-86.66
CCCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056292	1	36	-2.0	-90.24	322.45	3.67	-86.57
CC1=C(C(=O)[O-])SC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL300020056293	0	33	-2.0	-90.58	311.26	1.84	-88.74
CC1=C(C(=O)[O-])SC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL300020056293	1	33	-2.0	-90.61	311.32	1.85	-88.76
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020056294	0	33	-2.0	-83.57	321.85	1.62	-81.95
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020056294	1	33	-2.0	-83.52	321.92	1.63	-81.89
O=C([O-])COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056295	0	35	-2.0	-99.24	312.56	4.20	-95.04
O=C([O-])COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056295	1	35	-2.0	-99.26	312.61	4.21	-95.05
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056296	0	35	-2.0	-83.95	323.14	3.98	-79.97
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056296	1	35	-2.0	-83.92	323.20	3.99	-79.93
CC(CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1)C(=O)[O-]	REAL300020056297	0	37	-2.0	-97.30	311.75	6.08	-91.22
CC(CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1)C(=O)[O-]	REAL300020056297	1	37	-2.0	-97.23	311.83	6.08	-91.15
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056298	0	34	-2.0	-98.34	287.72	5.24	-93.10
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056298	1	34	-2.0	-98.29	287.79	5.25	-93.04
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCCC1=N[N-]N=N1	REAL300020056299	0	41	-2.0	-112.87	360.88	5.33	-107.54
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCCC1=NN=N[N-]1	REAL300020056299	1	41	-2.0	-112.85	360.94	5.35	-107.50
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056300	0	41	-2.0	-95.46	366.85	5.21	-90.25
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056300	1	41	-2.0	-95.42	366.92	5.21	-90.21
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300020056301	0	49	-2.0	-118.56	387.28	6.68	-111.88
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300020056301	1	49	-2.0	-118.59	387.34	6.69	-111.90
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCCC1	REAL300020056302	0	40	-2.0	-94.88	314.55	5.47	-89.41
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCCC1	REAL300020056302	1	40	-2.0	-94.89	314.61	5.47	-89.42
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056303	0	40	-2.0	-96.78	348.39	7.64	-89.14
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056303	1	40	-2.0	-96.78	348.44	7.65	-89.13
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056304	0	40	-2.0	-96.48	354.12	8.16	-88.32
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056304	1	40	-2.0	-96.51	354.18	8.17	-88.34
O=C([O-])C1=CSC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056305	0	28	-2.0	-85.50	283.48	2.83	-82.67
O=C([O-])C1=CSC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056305	1	28	-2.0	-85.51	283.42	2.82	-82.69
CC(CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL300020056306	0	40	-2.0	-99.60	342.25	5.99	-93.61
CC(CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL300020056306	1	40	-2.0	-99.57	342.31	6.01	-93.56
CC(CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1)C(=O)[O-]	REAL300020056307	0	40	-2.0	-84.38	352.83	5.79	-78.59
CC(CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1)C(=O)[O-]	REAL300020056307	1	40	-2.0	-84.34	352.90	5.79	-78.55
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL300020056308	0	38	-2.0	-88.19	318.86	1.93	-86.26
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOCC1	REAL300020056308	1	38	-2.0	-88.17	318.93	1.93	-86.24
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020056309	0	40	-2.0	-111.29	350.91	6.66	-104.63
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020056309	1	40	-2.0	-111.27	350.96	6.67	-104.60
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC2=CC=CC=C2C=C1	REAL300020056310	0	40	-2.0	-97.18	360.89	6.51	-90.67
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC2=CC=CC=C2C=C1	REAL300020056310	1	40	-2.0	-97.18	360.97	6.51	-90.67
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL300020056311	0	40	-2.0	-90.59	329.16	4.24	-86.35
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL300020056311	1	40	-2.0	-90.58	329.23	4.25	-86.33
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1C(=O)[O-]	REAL300020056312	0	40	-2.0	-89.47	319.24	4.05	-85.42
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1C(=O)[O-]	REAL300020056312	1	40	-2.0	-89.48	319.31	4.06	-85.42
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020056313	0	43	-2.0	-108.09	361.78	6.54	-101.55
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020056313	1	43	-2.0	-108.06	361.84	6.55	-101.51
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056314	0	43	-2.0	-91.55	372.36	6.34	-85.21
O=C([O-])CCC(CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056314	1	43	-2.0	-91.56	372.43	6.34	-85.22
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCOC1	REAL300020056315	0	38	-2.0	-89.99	326.42	2.16	-87.83
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCOC1	REAL300020056315	1	38	-2.0	-90.00	326.49	2.17	-87.83
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020056316	0	37	-2.0	-120.75	318.71	5.41	-115.34
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020056316	1	37	-2.0	-120.76	318.76	5.42	-115.34
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056317	0	37	-2.0	-96.35	325.64	5.10	-91.25
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056317	1	37	-2.0	-96.44	325.57	5.09	-91.35
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056318	0	41	-2.0	-102.50	355.81	6.43	-96.07
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056318	1	41	-2.0	-102.53	355.87	6.45	-96.08
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056319	0	41	-2.0	-88.86	363.68	6.83	-82.03
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056319	1	41	-2.0	-88.87	363.76	6.85	-82.02
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056320	0	31	-2.0	-85.89	292.21	3.70	-82.19
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056320	1	31	-2.0	-85.89	292.14	3.70	-82.19
CCC(C)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056321	0	36	-2.0	-90.93	308.97	3.08	-87.85
CCC(C)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056321	1	36	-2.0	-90.91	309.04	3.09	-87.82
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL300020056322	0	38	-2.0	-121.54	318.18	7.47	-114.07
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL300020056322	1	38	-2.0	-121.60	318.24	7.48	-114.12
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056323	0	38	-2.0	-98.85	324.99	7.54	-91.31
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056323	1	38	-2.0	-98.86	325.06	7.54	-91.32
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2O1	REAL300020056324	0	34	-2.0	-105.82	311.16	4.66	-101.16
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2O1	REAL300020056324	1	34	-2.0	-105.82	311.22	4.68	-101.14
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C2O1	REAL300020056325	0	34	-2.0	-83.77	321.80	4.47	-79.30
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C2O1	REAL300020056325	1	34	-2.0	-83.79	321.73	4.47	-79.32
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL300020056326	0	31	-2.0	-115.76	293.98	4.32	-111.44
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL300020056326	1	31	-2.0	-115.83	294.04	4.34	-111.49
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1Cl	REAL300020056327	0	31	-2.0	-93.59	304.93	4.11	-89.48
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1Cl	REAL300020056327	1	31	-2.0	-93.62	304.87	4.10	-89.52
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020056328	0	37	-2.0	-105.79	319.50	4.74	-101.05
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020056328	1	37	-2.0	-105.79	319.56	4.75	-101.04
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020056329	0	37	-2.0	-92.29	337.03	5.37	-86.92
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020056329	1	37	-2.0	-92.35	337.09	5.37	-86.98
CC(C)C[C@H](NC(=O)CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020056330	0	43	-2.0	-97.77	366.21	2.21	-95.56
CC(C)C[C@H](NC(=O)CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020056330	1	43	-2.0	-97.80	366.27	2.23	-95.57
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056331	0	43	-2.0	-92.79	376.23	1.96	-90.83
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056331	1	43	-2.0	-92.81	376.29	1.96	-90.85
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCSCC1	REAL300020056332	0	35	-2.0	-90.13	306.60	4.34	-85.79
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCSCC1	REAL300020056332	1	35	-2.0	-90.09	306.67	4.34	-85.75
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020056333	0	35	-2.0	-98.65	301.10	5.80	-92.85
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020056333	1	35	-2.0	-98.65	301.16	5.81	-92.84
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C21	REAL300020056334	0	35	-2.0	-93.01	312.61	6.23	-86.78
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C21	REAL300020056334	1	35	-2.0	-93.03	312.68	6.24	-86.79
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL300020056335	0	37	-2.0	-92.45	323.02	3.08	-89.37
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL300020056335	1	37	-2.0	-92.44	322.97	3.06	-89.38
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300020056336	0	37	-2.0	-81.22	331.97	2.78	-78.44
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300020056336	1	37	-2.0	-81.26	332.04	2.79	-78.47
CC(CNC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056337	0	40	-2.0	-96.78	338.68	5.25	-91.53
CC(CNC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056337	1	40	-2.0	-96.78	338.74	5.26	-91.52
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056338	0	40	-2.0	-90.73	345.37	5.24	-85.49
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056338	1	40	-2.0	-90.73	345.43	5.23	-85.50
O=C([O-])C1=NN(C2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=C2)C=C1	REAL300020056339	0	41	-2.0	-112.27	367.10	5.31	-106.96
O=C([O-])C1=NN(C2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=C2)C=C1	REAL300020056339	1	41	-2.0	-112.26	367.04	5.30	-106.96
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)C=C1	REAL300020056340	0	41	-2.0	-102.86	377.64	5.08	-97.78
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)C=C1	REAL300020056340	1	41	-2.0	-102.89	377.57	5.09	-97.80
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300020056341	0	31	-2.0	-88.17	300.97	2.33	-85.84
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300020056341	1	31	-2.0	-88.13	301.04	2.33	-85.80
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056342	0	34	-2.0	-85.00	292.64	4.32	-80.68
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056342	1	34	-2.0	-84.93	292.71	4.32	-80.61
CCC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300020056343	0	40	-2.0	-108.35	346.47	6.80	-101.55
CCC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300020056343	1	40	-2.0	-108.37	346.52	6.82	-101.55
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300020056344	0	40	-2.0	-92.23	356.98	6.58	-85.65
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300020056344	1	40	-2.0	-92.22	357.05	6.59	-85.63
COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C(=O)[O-])=C1	REAL300020056345	0	35	-2.0	-93.94	306.46	3.58	-90.36
COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C(=O)[O-])=C1	REAL300020056345	1	35	-2.0	-93.98	306.52	3.59	-90.39
COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C(=O)[O-])=C1	REAL300020056346	0	35	-2.0	-93.31	317.14	3.39	-89.92
COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C(=O)[O-])=C1	REAL300020056346	1	35	-2.0	-93.36	317.07	3.37	-89.99
CCC(CC)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056347	0	36	-2.0	-92.46	300.20	3.60	-88.86
CCC(CC)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056347	1	36	-2.0	-92.40	300.27	3.61	-88.79
CC(CNC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056348	0	40	-2.0	-96.78	338.68	5.25	-91.53
CC(CNC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056348	1	40	-2.0	-96.78	338.74	5.26	-91.52
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056349	0	40	-2.0	-90.73	345.37	5.24	-85.49
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056349	1	40	-2.0	-90.73	345.43	5.23	-85.50
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056350	0	34	-2.0	-85.00	292.64	4.32	-80.68
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056350	1	34	-2.0	-84.93	292.71	4.32	-80.61
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056351	0	34	-2.0	-85.07	292.20	4.35	-80.72
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056351	1	34	-2.0	-85.04	292.26	4.37	-80.67
C=CCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056352	0	34	-2.0	-90.08	313.70	3.43	-86.65
C=CCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056352	1	34	-2.0	-90.06	313.77	3.45	-86.61
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CS1	REAL300020056353	0	31	-2.0	-93.31	306.94	3.35	-89.96
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CS1	REAL300020056353	1	31	-2.0	-93.28	307.01	3.35	-89.93
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056354	0	40	-2.0	-81.86	323.37	4.93	-76.93
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056354	1	40	-2.0	-81.82	323.43	4.93	-76.89
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020056355	0	37	-2.0	-94.00	331.47	5.05	-88.95
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020056355	1	37	-2.0	-93.99	331.53	5.06	-88.93
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1	REAL300020056356	0	37	-2.0	-87.11	341.25	4.56	-82.55
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1	REAL300020056356	1	37	-2.0	-87.14	341.32	4.56	-82.58
COCC1(C(=O)[O-])CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020056357	0	41	-2.0	-104.74	331.09	4.62	-100.12
COCC1(C(=O)[O-])CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020056357	1	41	-2.0	-104.72	331.14	4.64	-100.08
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056358	0	41	-2.0	-88.83	339.68	4.26	-84.57
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056358	1	41	-2.0	-88.81	339.74	4.26	-84.55
O=C([O-])C1=CN(C2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2)N=N1	REAL300020056359	0	37	-2.0	-115.81	336.98	3.72	-112.09
O=C([O-])C1=CN(C2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2)N=N1	REAL300020056359	1	37	-2.0	-115.82	336.93	3.70	-112.12
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)N=N1	REAL300020056360	0	37	-2.0	-95.61	347.93	3.51	-92.10
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)N=N1	REAL300020056360	1	37	-2.0	-95.68	347.86	3.50	-92.18
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056361	0	41	-2.0	-113.79	356.84	5.47	-108.32
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056361	1	41	-2.0	-113.77	356.90	5.48	-108.29
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056362	0	41	-2.0	-93.70	367.17	5.27	-88.43
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056362	1	41	-2.0	-93.69	367.11	5.27	-88.42
CN(C(=O)CCCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020056363	0	40	-2.0	-99.06	336.77	7.10	-91.96
CN(C(=O)CCCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020056363	1	40	-2.0	-99.07	336.82	7.12	-91.95
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020056364	0	40	-2.0	-88.58	346.29	7.60	-80.98
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020056364	1	40	-2.0	-88.57	346.37	7.61	-80.96
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056365	0	34	-2.0	-95.82	292.61	5.06	-90.76
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056365	1	34	-2.0	-95.79	292.67	5.06	-90.73
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056366	0	34	-2.0	-90.15	314.21	4.49	-85.66
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056366	1	34	-2.0	-84.77	314.57	4.50	-80.27
O=C(CCCC1=N[N-]N=N1)NC(CC1CCCCC1)C(=O)[O-]	REAL300020056367	0	43	-2.0	-106.05	349.17	5.53	-100.52
O=C(CCCC1=NN=N[N-]1)NC(CC1CCCCC1)C(=O)[O-]	REAL300020056367	1	43	-2.0	-106.02	349.23	5.54	-100.48
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056368	0	43	-2.0	-91.64	359.72	5.33	-86.31
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056368	1	43	-2.0	-91.62	359.79	5.33	-86.29
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056369	0	30	-2.0	-85.88	295.32	2.79	-83.09
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056369	1	30	-2.0	-85.85	295.39	2.80	-83.05
O=C([O-])C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C(Br)=C1	REAL300020056370	0	34	-2.0	-92.30	325.98	4.52	-87.78
O=C([O-])C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C(Br)=C1	REAL300020056370	1	34	-2.0	-92.30	326.04	4.54	-87.76
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300020056371	0	40	-2.0	-96.08	349.87	3.18	-92.90
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300020056371	1	40	-2.0	-96.11	349.93	3.19	-92.92
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056372	0	40	-2.0	-86.32	360.46	2.97	-83.35
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056372	1	40	-2.0	-86.30	360.53	2.97	-83.33
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056373	0	39	-2.0	-80.63	310.43	3.44	-77.19
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056373	1	39	-2.0	-80.59	310.50	3.45	-77.14
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1	REAL300020056374	0	35	-2.0	-89.47	303.55	1.32	-88.15
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1	REAL300020056374	1	35	-2.0	-89.44	303.61	1.34	-88.10
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCOC1	REAL300020056375	0	38	-2.0	-91.79	318.20	2.46	-89.33
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCOC1	REAL300020056375	1	38	-2.0	-91.83	318.27	2.48	-89.35
CC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1C	REAL300020056376	0	40	-2.0	-109.73	342.75	5.65	-104.08
CC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1C	REAL300020056376	1	40	-2.0	-109.72	342.80	5.66	-104.06
CC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1C	REAL300020056377	0	40	-2.0	-96.41	353.75	5.46	-90.95
CC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1C	REAL300020056377	1	40	-2.0	-96.37	353.81	5.47	-90.90
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020056378	0	43	-2.0	-103.92	372.34	7.85	-96.07
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020056378	1	43	-2.0	-103.93	372.40	7.86	-96.07
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC2=CC=CC=C2C=C1	REAL300020056379	0	43	-2.0	-92.08	375.98	6.80	-85.28
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC2=CC=CC=C2C=C1	REAL300020056379	1	43	-2.0	-92.06	376.05	6.81	-85.25
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300020056380	0	41	-2.0	-89.84	363.95	7.31	-82.53
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300020056380	1	41	-2.0	-89.85	364.00	7.33	-82.52
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300020056381	0	41	-2.0	-94.86	371.44	7.60	-87.26
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300020056381	1	41	-2.0	-94.82	371.50	7.62	-87.20
COCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300020056382	0	38	-2.0	-118.05	336.54	3.65	-114.40
COCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300020056382	1	38	-2.0	-118.12	336.60	3.67	-114.45
COCC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(C(=O)[O-])=C1	REAL300020056383	0	38	-2.0	-96.21	347.49	3.43	-92.78
COCC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(C(=O)[O-])=C1	REAL300020056383	1	38	-2.0	-96.20	347.42	3.42	-92.78
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL300020056384	0	41	-2.0	-102.99	357.34	4.15	-98.84
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL300020056384	1	41	-2.0	-103.01	357.39	4.17	-98.84
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056385	0	41	-2.0	-88.50	367.93	3.95	-84.55
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056385	1	41	-2.0	-88.47	368.00	3.96	-84.51
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056386	0	40	-2.0	-88.51	358.08	7.29	-81.22
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056386	1	40	-2.0	-88.52	358.14	7.30	-81.22
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056387	0	40	-2.0	-95.39	364.65	8.01	-87.38
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056387	1	40	-2.0	-95.41	364.72	8.01	-87.40
O=C([O-])CNC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056388	0	38	-2.0	-97.70	338.14	2.51	-95.19
O=C([O-])CNC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056388	1	38	-2.0	-97.74	338.19	2.52	-95.22
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056389	0	38	-2.0	-81.43	348.79	2.30	-79.13
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056389	1	38	-2.0	-81.47	348.72	2.30	-79.17
O=C([O-])C1=NN(C2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2)C=C1	REAL300020056390	0	38	-2.0	-133.25	341.21	5.18	-128.07
O=C([O-])C1=NN(C2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2)C=C1	REAL300020056390	1	38	-2.0	-133.19	341.15	5.17	-128.02
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)C=C1	REAL300020056391	0	38	-2.0	-108.63	351.53	4.98	-103.65
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)C=C1	REAL300020056391	1	38	-2.0	-108.64	351.46	4.98	-103.66
O=C([O-])CC1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056392	0	35	-2.0	-96.80	294.40	3.53	-93.27
O=C([O-])CC1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056392	1	35	-2.0	-96.78	294.47	3.53	-93.25
COCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056393	0	34	-2.0	-89.69	313.06	1.17	-88.52
COCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056393	1	34	-2.0	-89.70	313.13	1.19	-88.51
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056394	0	34	-2.0	-91.03	296.43	3.44	-87.59
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056394	1	34	-2.0	-91.00	296.50	3.44	-87.56
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056395	0	34	-2.0	-90.22	311.27	3.62	-86.60
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056395	1	34	-2.0	-90.22	311.33	3.62	-86.60
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056396	0	37	-2.0	-86.55	310.40	5.05	-81.50
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056396	1	37	-2.0	-86.46	310.47	5.05	-81.41
CC(C(=O)[O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056397	0	37	-2.0	-99.60	319.74	5.19	-94.41
CC(C(=O)[O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056397	1	37	-2.0	-99.61	319.80	5.20	-94.41
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056398	0	37	-2.0	-84.80	331.16	4.99	-79.81
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056398	1	37	-2.0	-84.79	331.23	4.98	-79.81
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C1=CC=CC=C1	REAL300020056399	0	41	-2.0	-91.00	340.32	6.61	-84.39
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C1=CC=CC=C1	REAL300020056399	1	41	-2.0	-91.03	340.38	6.63	-84.40
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1C1=CC=CC=C1	REAL300020056400	0	41	-2.0	-84.74	346.70	6.83	-77.91
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1C1=CC=CC=C1	REAL300020056400	1	41	-2.0	-84.67	346.76	6.84	-77.83
CC(C(=O)[O-])C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056401	0	37	-2.0	-110.39	320.02	5.19	-105.20
CC(C(=O)[O-])C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056401	1	37	-2.0	-110.41	320.08	5.20	-105.21
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056402	0	37	-2.0	-87.33	331.17	4.98	-82.35
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056402	1	37	-2.0	-87.31	331.24	4.99	-82.32
CCC(CNC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056403	0	43	-2.0	-97.20	354.62	5.72	-91.48
CCC(CNC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056403	1	43	-2.0	-97.21	354.68	5.74	-91.47
CCC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056404	0	43	-2.0	-93.23	360.63	5.72	-87.51
CCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056404	1	43	-2.0	-93.25	360.70	5.73	-87.52
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020056405	0	34	-2.0	-95.17	315.56	4.17	-91.00
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020056405	1	34	-2.0	-95.16	315.63	4.20	-90.96
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300020056406	0	35	-2.0	-108.31	308.56	4.01	-104.30
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300020056406	1	35	-2.0	-108.34	308.61	4.02	-104.32
COC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1C(=O)[O-]	REAL300020056407	0	35	-2.0	-91.18	319.55	3.80	-87.38
COC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1C(=O)[O-]	REAL300020056407	1	35	-2.0	-91.23	319.47	3.80	-87.43
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056408	0	37	-2.0	-92.85	342.72	7.38	-85.47
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056408	1	37	-2.0	-92.87	342.78	7.40	-85.47
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056409	0	37	-2.0	-93.64	348.73	7.93	-85.71
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056409	1	37	-2.0	-93.60	348.80	7.93	-85.67
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056410	0	34	-2.0	-85.00	292.64	4.32	-80.68
O=C([O-])C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056410	1	34	-2.0	-84.93	292.71	4.32	-80.61
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056411	0	37	-2.0	-92.81	332.40	6.93	-85.88
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056411	1	37	-2.0	-92.84	332.45	6.94	-85.90
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056412	0	37	-2.0	-93.59	338.41	7.48	-86.11
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056412	1	37	-2.0	-93.61	338.48	7.48	-86.13
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020056413	0	35	-2.0	-99.67	309.29	3.33	-96.34
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020056413	1	35	-2.0	-99.63	309.34	3.35	-96.28
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056414	0	35	-2.0	-84.88	320.78	3.12	-81.76
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056414	1	35	-2.0	-84.90	320.72	3.12	-81.78
O=C(CCCC1=N[N-]N=N1)NCC(C(=O)[O-])C1CCOCC1	REAL300020056415	0	41	-2.0	-93.49	330.28	2.66	-90.83
O=C(CCCC1=NN=N[N-]1)NCC(C(=O)[O-])C1CCOCC1	REAL300020056415	1	41	-2.0	-93.50	330.34	2.68	-90.82
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300020056416	0	41	-2.0	-88.47	342.05	2.47	-86.00
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300020056416	1	41	-2.0	-88.50	342.11	2.47	-86.03
CN(C(=O)CCCC1=N[N-]N=N1)C(C(=O)[O-])C1=CC=CC=C1	REAL300020056417	0	37	-2.0	-104.91	315.42	6.35	-98.56
CN(C(=O)CCCC1=NN=N[N-]1)C(C(=O)[O-])C1=CC=CC=C1	REAL300020056417	1	37	-2.0	-104.87	315.48	6.37	-98.50
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C(=O)[O-])C1=CC=CC=C1	REAL300020056418	0	37	-2.0	-92.37	324.04	6.76	-85.61
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C(=O)[O-])C1=CC=CC=C1	REAL300020056418	1	37	-2.0	-92.38	324.11	6.77	-85.61
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL300020056419	0	35	-2.0	-92.29	300.33	2.07	-90.22
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOCC1	REAL300020056419	1	35	-2.0	-92.23	300.40	2.07	-90.16
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056420	0	34	-2.0	-87.29	295.34	4.36	-82.93
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056420	1	34	-2.0	-87.31	295.41	4.38	-82.93
CC(NC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL300020056421	0	41	-2.0	-97.77	358.92	3.33	-94.44
CC(NC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL300020056421	1	41	-2.0	-97.79	358.98	3.34	-94.45
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1)C(=O)[O-]	REAL300020056422	0	41	-2.0	-82.34	369.41	3.16	-79.18
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1)C(=O)[O-]	REAL300020056422	1	41	-2.0	-82.31	369.35	3.16	-79.15
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056423	0	40	-2.0	-94.62	331.08	6.76	-87.86
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056423	1	40	-2.0	-94.62	331.14	6.78	-87.84
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056424	0	40	-2.0	-98.52	338.45	7.46	-91.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056424	1	40	-2.0	-98.52	338.52	7.50	-91.02
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056425	0	40	-2.0	-96.78	348.39	7.64	-89.14
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056425	1	40	-2.0	-96.78	348.44	7.65	-89.13
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056426	0	40	-2.0	-96.48	354.12	8.16	-88.32
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056426	1	40	-2.0	-96.51	354.18	8.17	-88.34
CC(C)(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056427	0	36	-2.0	-84.72	313.11	2.59	-82.13
CC(C)(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056427	1	36	-2.0	-84.74	313.17	2.61	-82.13
CC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300020056428	0	37	-2.0	-105.93	344.68	6.34	-99.59
CC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300020056428	1	37	-2.0	-105.92	344.74	6.36	-99.56
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020056429	0	47	-2.0	-99.73	375.91	8.16	-91.57
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020056429	1	47	-2.0	-99.77	375.97	8.17	-91.60
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056430	0	47	-2.0	-88.17	383.90	8.40	-79.77
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056430	1	47	-2.0	-88.14	383.97	8.40	-79.74
COC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300020056431	0	38	-2.0	-107.21	333.82	3.75	-103.46
COC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300020056431	1	38	-2.0	-107.23	333.88	3.77	-103.46
COC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300020056432	0	38	-2.0	-93.69	345.06	3.48	-90.21
COC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300020056432	1	38	-2.0	-93.71	345.13	3.49	-90.22
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020056433	0	34	-2.0	-93.18	304.99	4.11	-89.07
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020056433	1	34	-2.0	-93.19	305.05	4.12	-89.07
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056434	0	34	-2.0	-82.09	311.69	4.35	-77.74
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056434	1	34	-2.0	-82.05	311.76	4.35	-77.70
C=CCOCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056435	0	35	-2.0	-93.77	326.00	1.90	-91.87
C=CCOCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056435	1	35	-2.0	-93.78	326.07	1.91	-91.87
O=C([O-])C(CC(F)F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056436	0	30	-2.0	-87.84	290.00	2.64	-85.20
O=C([O-])C(CC(F)F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056436	1	30	-2.0	-87.78	290.07	2.64	-85.14
COC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1Br	REAL300020056437	0	38	-2.0	-105.20	354.24	4.42	-100.78
COC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1Br	REAL300020056437	1	38	-2.0	-105.23	354.30	4.44	-100.79
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C(=O)[O-])C1	REAL300020056438	0	37	-2.0	-98.54	308.64	5.86	-92.68
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C(=O)[O-])C1	REAL300020056438	1	37	-2.0	-98.51	308.71	5.86	-92.65
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300020056439	0	38	-2.0	-99.25	334.66	5.93	-93.32
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300020056439	1	38	-2.0	-99.26	334.72	5.95	-93.31
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300020056440	0	38	-2.0	-84.64	332.32	5.95	-78.69
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300020056440	1	38	-2.0	-84.58	332.38	5.96	-78.62
O=C([O-])C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL300020056441	0	43	-2.0	-106.62	368.29	7.87	-98.75
O=C([O-])C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL300020056441	1	43	-2.0	-106.65	368.35	7.88	-98.77
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC2=CC=CC=C21	REAL300020056442	0	43	-2.0	-96.69	379.18	7.54	-89.15
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC2=CC=CC=C21	REAL300020056442	1	43	-2.0	-96.70	379.25	7.57	-89.13
O=C([O-])C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020056443	0	43	-2.0	-103.69	372.52	7.70	-95.99
O=C([O-])C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020056443	1	43	-2.0	-103.70	372.57	7.72	-95.98
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC2=CC=CC=C2C=C1	REAL300020056444	0	43	-2.0	-92.05	375.98	6.82	-85.23
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC2=CC=CC=C2C=C1	REAL300020056444	1	43	-2.0	-92.02	376.04	6.82	-85.20
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300020056445	0	41	-2.0	-94.71	356.10	5.17	-89.54
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300020056445	1	41	-2.0	-94.72	356.16	5.18	-89.54
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300020056446	0	41	-2.0	-86.11	366.70	4.95	-81.16
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300020056446	1	41	-2.0	-86.07	366.76	4.97	-81.10
CC1=CC(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])=CC=C1F	REAL300020056447	0	37	-2.0	-103.72	331.43	5.17	-98.55
CC1=CC(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])=CC=C1F	REAL300020056447	1	37	-2.0	-103.72	331.49	5.18	-98.54
CC1=CC(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])=CC=C1F	REAL300020056448	0	37	-2.0	-90.28	342.02	4.97	-85.31
CC1=CC(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])=CC=C1F	REAL300020056448	1	37	-2.0	-90.26	342.09	4.97	-85.29
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C2OCCC2=C1	REAL300020056449	0	39	-2.0	-107.60	340.63	4.31	-103.29
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C2OCCC2=C1	REAL300020056449	1	39	-2.0	-107.63	340.69	4.33	-103.30
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C2OCCC2=C1	REAL300020056450	0	39	-2.0	-94.65	350.85	4.09	-90.56
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C2OCCC2=C1	REAL300020056450	1	39	-2.0	-94.61	350.92	4.09	-90.52
CC1=CC(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])=CC(C)=C1	REAL300020056451	0	40	-2.0	-109.96	347.80	5.72	-104.24
CC1=CC(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])=CC(C)=C1	REAL300020056451	1	40	-2.0	-109.94	347.86	5.74	-104.20
CC1=CC(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])=CC(C)=C1	REAL300020056452	0	40	-2.0	-96.34	358.15	5.58	-90.76
CC1=CC(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])=CC(C)=C1	REAL300020056452	1	40	-2.0	-96.29	358.21	5.59	-90.70
COC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1Cl	REAL300020056453	0	38	-2.0	-105.12	349.85	4.31	-100.81
COC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1Cl	REAL300020056453	1	38	-2.0	-105.14	349.91	4.33	-100.81
COC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1Cl	REAL300020056454	0	38	-2.0	-93.50	360.85	4.13	-89.37
COC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1Cl	REAL300020056454	1	38	-2.0	-93.45	360.92	4.13	-89.32
CC1=CC=CC(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])=C1C	REAL300020056455	0	40	-2.0	-108.74	334.38	5.46	-103.28
CC1=CC=CC(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])=C1C	REAL300020056455	1	40	-2.0	-108.77	334.44	5.47	-103.30
CC1=CC=CC(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])=C1C	REAL300020056456	0	40	-2.0	-95.28	345.01	5.27	-90.01
CC1=CC=CC(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])=C1C	REAL300020056456	1	40	-2.0	-95.29	345.07	5.27	-90.02
COC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1F	REAL300020056457	0	38	-2.0	-105.61	340.65	3.77	-101.84
COC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1F	REAL300020056457	1	38	-2.0	-105.63	340.71	3.78	-101.85
COC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1F	REAL300020056458	0	38	-2.0	-94.23	351.29	3.58	-90.65
COC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1F	REAL300020056458	1	38	-2.0	-94.22	351.35	3.57	-90.65
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056459	0	40	-2.0	-92.37	364.72	7.86	-84.51
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056459	1	40	-2.0	-92.34	364.78	7.88	-84.46
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056460	0	34	-2.0	-84.76	295.36	4.30	-80.46
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056460	1	34	-2.0	-84.71	295.42	4.32	-80.39
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056461	0	37	-2.0	-92.99	347.28	7.48	-85.51
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056461	1	37	-2.0	-93.05	347.34	7.49	-85.56
O=C([O-])CCN(CC1=CC=CC(Br)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056462	0	40	-2.0	-89.45	366.68	7.78	-81.67
O=C([O-])CCN(CC1=CC=CC(Br)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056462	1	40	-2.0	-89.44	366.74	7.79	-81.65
O=C([O-])C1=CSC(C2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=C2)=N1	REAL300020056463	0	40	-2.0	-100.62	373.30	4.87	-95.75
O=C([O-])C1=CSC(C2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=C2)=N1	REAL300020056463	1	40	-2.0	-100.61	373.24	4.85	-95.76
CCCC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056464	0	36	-2.0	-87.72	315.90	3.36	-84.36
CCCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056464	1	36	-2.0	-87.68	315.97	3.37	-84.31
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL300020056465	0	33	-2.0	-90.40	317.66	0.42	-89.98
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL300020056465	1	33	-2.0	-90.41	317.59	0.41	-90.00
CC(NC(=O)CCCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020056466	0	43	-2.0	-92.81	359.88	6.08	-86.73
CC(NC(=O)CCCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020056466	1	43	-2.0	-92.81	359.94	6.10	-86.71
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020056467	0	43	-2.0	-86.78	363.38	5.88	-80.90
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020056467	1	43	-2.0	-86.75	363.45	5.90	-80.85
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056468	0	40	-2.0	-94.62	331.08	6.76	-87.86
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056468	1	40	-2.0	-94.62	331.14	6.78	-87.84
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056469	0	40	-2.0	-98.52	338.45	7.46	-91.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056469	1	40	-2.0	-98.52	338.52	7.50	-91.02
CCC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056470	0	40	-2.0	-112.86	329.74	6.28	-106.58
CCC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056470	1	40	-2.0	-112.83	329.79	6.30	-106.53
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056471	0	40	-2.0	-96.90	340.32	6.11	-90.79
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056471	1	40	-2.0	-96.86	340.39	6.12	-90.74
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056472	0	44	-2.0	-101.93	359.40	5.01	-96.92
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056472	1	44	-2.0	-101.92	359.46	5.03	-96.89
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056473	0	44	-2.0	-94.90	370.18	4.97	-89.93
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056473	1	44	-2.0	-94.92	370.25	4.97	-89.95
CS(=O)C1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020056474	0	39	-2.0	-89.64	318.73	2.88	-86.76
CS(=O)C1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020056474	1	39	-2.0	-89.70	318.79	2.90	-86.80
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056475	0	39	-2.0	-82.63	326.41	3.13	-79.50
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056475	1	39	-2.0	-82.64	326.48	3.14	-79.50
O=C([O-])C1=CN(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)N=C1	REAL300020056476	0	41	-2.0	-100.77	346.93	4.91	-95.86
O=C([O-])C1=CN(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)N=C1	REAL300020056476	1	41	-2.0	-100.77	346.87	4.90	-95.87
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)N=C1	REAL300020056477	0	41	-2.0	-88.76	354.67	5.14	-83.62
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)N=C1	REAL300020056477	1	41	-2.0	-88.81	354.60	5.13	-83.68
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056478	0	37	-2.0	-85.09	307.53	5.12	-79.97
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056478	1	37	-2.0	-85.08	307.59	5.12	-79.96
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020056479	0	31	-2.0	-87.20	308.91	3.03	-84.17
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020056479	1	31	-2.0	-87.11	308.97	3.04	-84.07
O=C([O-])CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL300020056480	0	34	-2.0	-103.09	309.34	4.73	-98.36
O=C([O-])CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL300020056480	1	34	-2.0	-103.11	309.40	4.74	-98.37
O=C([O-])CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1F	REAL300020056481	0	34	-2.0	-86.83	319.65	4.52	-82.31
O=C([O-])CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1F	REAL300020056481	1	34	-2.0	-86.81	319.72	4.53	-82.28
O=C([O-])CCC(CC1CCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300020056482	0	49	-2.0	-107.65	383.74	6.73	-100.92
O=C([O-])CCC(CC1CCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300020056482	1	49	-2.0	-107.62	383.80	6.74	-100.88
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056483	0	49	-2.0	-91.10	394.32	6.54	-84.56
O=C([O-])CCC(CC1CCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056483	1	49	-2.0	-91.09	394.39	6.54	-84.55
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1N1CCCCC1	REAL300020056484	0	46	-2.0	-123.99	376.44	6.48	-117.51
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1N1CCCCC1	REAL300020056484	1	46	-2.0	-123.96	376.49	6.50	-117.46
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1N1CCCCC1	REAL300020056485	0	46	-2.0	-90.79	387.09	6.29	-84.50
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1N1CCCCC1	REAL300020056485	1	46	-2.0	-90.84	387.02	6.28	-84.56
CCC(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056486	0	39	-2.0	-91.10	336.20	4.14	-86.96
CCC(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056486	1	39	-2.0	-91.16	336.27	4.14	-87.02
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020056487	0	41	-2.0	-114.36	341.55	6.57	-107.79
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020056487	1	41	-2.0	-114.34	341.61	6.58	-107.76
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056488	0	41	-2.0	-87.58	349.32	7.35	-80.23
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056488	1	41	-2.0	-87.56	349.39	7.36	-80.20
O=C([O-])C1=CN(C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)N=N1	REAL300020056489	0	40	-2.0	-105.36	342.09	3.50	-101.86
O=C([O-])C1=CN(C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)N=N1	REAL300020056489	1	40	-2.0	-105.30	342.04	3.48	-101.82
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)N=N1	REAL300020056490	0	40	-2.0	-96.21	349.44	3.70	-92.51
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)N=N1	REAL300020056490	1	40	-2.0	-96.20	349.38	3.70	-92.50
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)OC1=CC=C(Br)C=C1	REAL300020056491	0	38	-2.0	-96.39	357.44	4.91	-91.48
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)OC1=CC=C(Br)C=C1	REAL300020056491	1	38	-2.0	-96.42	357.50	4.92	-91.50
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C1=CC=C(F)C=C1F	REAL300020056492	0	41	-2.0	-90.65	358.61	6.85	-83.80
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C1=CC=C(F)C=C1F	REAL300020056492	1	41	-2.0	-90.70	358.66	6.87	-83.83
COC1CCCC(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C1	REAL300020056493	0	44	-2.0	-110.80	354.31	3.60	-107.20
COC1CCCC(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C1	REAL300020056493	1	44	-2.0	-110.82	354.37	3.61	-107.21
COC1CCCC(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C1	REAL300020056494	0	44	-2.0	-93.12	367.65	3.55	-89.57
COC1CCCC(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C1	REAL300020056494	1	44	-2.0	-93.14	367.71	3.56	-89.58
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300020056495	0	34	-2.0	-97.34	322.27	3.36	-93.98
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300020056495	1	34	-2.0	-97.35	322.21	3.34	-94.01
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1C1CC1	REAL300020056496	0	38	-2.0	-92.62	321.98	5.51	-87.11
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1C1CC1	REAL300020056496	1	38	-2.0	-92.61	322.05	5.52	-87.09
O=C([O-])CN1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020056497	0	31	-2.0	-89.56	294.08	2.87	-86.69
O=C([O-])CN1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020056497	1	31	-2.0	-89.50	294.15	2.88	-86.62
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL300020056498	0	31	-2.0	-115.76	293.98	4.32	-111.44
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL300020056498	1	31	-2.0	-115.83	294.04	4.34	-111.49
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1Cl	REAL300020056499	0	31	-2.0	-93.59	304.93	4.11	-89.48
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1Cl	REAL300020056499	1	31	-2.0	-93.62	304.87	4.10	-89.52
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056500	0	36	-2.0	-95.45	305.10	5.23	-90.22
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056500	1	36	-2.0	-95.42	305.17	5.23	-90.19
CC(C)C[C@H](CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(=O)[O-]	REAL300020056501	0	42	-2.0	-86.31	352.31	4.32	-81.99
CC(C)C[C@H](CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(=O)[O-]	REAL300020056501	1	42	-2.0	-86.26	352.38	4.33	-81.93
CC(C)C[C@H](CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(=O)[O-]	REAL300020056502	0	42	-2.0	-86.31	352.31	4.32	-81.99
CC(C)C[C@H](CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(=O)[O-]	REAL300020056502	1	42	-2.0	-86.26	352.38	4.33	-81.93
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1CC1	REAL300020056503	0	37	-2.0	-87.89	327.68	4.05	-83.84
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1CC1	REAL300020056503	1	37	-2.0	-87.93	327.74	4.06	-83.87
O=C([O-])C1=COC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020056504	0	30	-2.0	-89.12	295.80	-1.46	-90.58
O=C([O-])C1=COC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020056504	1	30	-2.0	-89.09	295.86	-1.45	-90.54
COC1(CC(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])CCC1	REAL300020056505	0	41	-2.0	-108.38	340.53	3.33	-105.05
COC1(CC(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])CCC1	REAL300020056505	1	41	-2.0	-108.38	340.59	3.35	-105.03
COC1(CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])CCC1	REAL300020056506	0	41	-2.0	-92.69	349.80	3.47	-89.22
COC1(CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])CCC1	REAL300020056506	1	41	-2.0	-92.65	349.87	3.47	-89.18
C[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H](C(=O)[O-])O1	REAL300020056507	0	35	-2.0	-92.90	306.16	3.57	-89.33
C[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H](C(=O)[O-])O1	REAL300020056507	1	35	-2.0	-92.82	306.22	3.59	-89.23
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C1=CC=CC=C1	REAL300020056508	0	41	-2.0	-93.07	347.23	6.80	-86.27
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C1=CC=CC=C1	REAL300020056508	1	41	-2.0	-93.07	347.29	6.81	-86.26
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1C1=CC=CC=C1	REAL300020056509	0	41	-2.0	-86.08	355.37	7.06	-79.02
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1C1=CC=CC=C1	REAL300020056509	1	41	-2.0	-86.10	355.43	7.06	-79.04
O=C([O-])CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300020056510	0	38	-2.0	-96.46	318.79	4.43	-92.03
O=C([O-])CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300020056510	1	38	-2.0	-96.46	318.85	4.43	-92.03
O=C([O-])CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300020056511	0	40	-2.0	-97.40	327.74	6.79	-90.61
O=C([O-])CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300020056511	1	40	-2.0	-97.38	327.81	6.81	-90.57
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056512	0	32	-2.0	-92.02	292.83	1.46	-90.56
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056512	1	32	-2.0	-91.98	292.90	1.46	-90.52
COC1=CC=CC(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300020056513	0	38	-2.0	-111.03	334.24	3.76	-107.27
COC1=CC=CC(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300020056513	1	38	-2.0	-111.02	334.29	3.77	-107.25
COC1=CC=CC(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])=C1	REAL300020056514	0	38	-2.0	-96.59	345.07	3.48	-93.11
COC1=CC=CC(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])=C1	REAL300020056514	1	38	-2.0	-96.54	345.14	3.48	-93.06
C[C@H]1CC[C@@](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])CC1	REAL300020056515	0	40	-2.0	-94.86	322.70	4.92	-89.94
C[C@H]1CC[C@@](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])CC1	REAL300020056515	1	40	-2.0	-94.85	322.77	4.92	-89.93
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL300020056516	0	40	-2.0	-94.23	343.11	4.84	-89.39
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL300020056516	1	40	-2.0	-94.23	343.05	4.82	-89.41
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020056517	0	40	-2.0	-80.83	353.89	4.62	-76.21
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020056517	1	40	-2.0	-80.82	353.95	4.64	-76.18
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)C2CCCCC12	REAL300020056518	0	44	-2.0	-94.34	335.65	6.26	-88.08
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)C2CCCCC12	REAL300020056518	1	44	-2.0	-94.35	335.70	6.27	-88.08
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2CCCCC12	REAL300020056519	0	44	-2.0	-86.47	337.81	6.31	-80.16
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2CCCCC12	REAL300020056519	1	44	-2.0	-86.48	337.88	6.34	-80.14
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300020056520	0	34	-2.0	-109.33	320.09	4.87	-104.46
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300020056520	1	34	-2.0	-109.38	320.15	4.88	-104.50
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)NCC2=N[N-]N=N2)O1	REAL300020056521	0	37	-2.0	-92.50	344.59	0.47	-92.03
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)NCC2=NN=N[N-]2)O1	REAL300020056521	1	37	-2.0	-92.50	344.65	0.49	-92.01
O=C([O-])C1=C(CSC2=CC=CC=C2C(=O)NCC2=N[N-]N=N2)OC=C1	REAL300020056522	0	36	-2.0	-101.77	336.29	4.83	-96.94
O=C([O-])C1=C(CSC2=CC=CC=C2C(=O)NCC2=NN=N[N-]2)OC=C1	REAL300020056522	1	36	-2.0	-101.79	336.35	4.85	-96.94
CC(SC1=CC=CC=C1C(=O)NCC1=N[N-]N=N1)C(=O)[O-]	REAL300020056523	0	32	-2.0	-96.13	292.57	3.57	-92.56
CC(SC1=CC=CC=C1C(=O)NCC1=NN=N[N-]1)C(=O)[O-]	REAL300020056523	1	32	-2.0	-96.12	292.62	3.58	-92.54
CCOC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300020056524	0	36	-2.0	-88.08	322.08	2.76	-85.32
CCOC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300020056524	1	36	-2.0	-88.07	322.13	2.77	-85.30
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=N[N-]N=N3)CC2)C=C1	REAL300020056525	0	43	-2.0	-96.09	378.25	1.67	-94.42
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NN=N[N-]3)CC2)C=C1	REAL300020056525	1	43	-2.0	-96.09	378.31	1.69	-94.40
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)NCC2=N[N-]N=N2)C=C1	REAL300020056526	0	33	-2.0	-89.67	318.73	-1.81	-91.48
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)NCC2=NN=N[N-]2)C=C1	REAL300020056526	1	33	-2.0	-89.67	318.79	-1.79	-91.46
CC1=NN(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)C(C)=C1CCC(=O)[O-]	REAL300020056527	0	44	-2.0	-85.27	378.91	5.44	-79.83
CC1=NN(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)C(C)=C1CCC(=O)[O-]	REAL300020056527	1	44	-2.0	-85.27	378.96	5.46	-79.81
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020056528	0	35	-2.0	-85.42	314.99	3.37	-82.05
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020056528	1	35	-2.0	-85.42	315.06	3.39	-82.03
O=C([O-])C1=C(C(F)(F)F)N(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)N=C1	REAL300020056529	0	35	-2.0	-82.54	326.70	3.54	-79.00
O=C([O-])C1=C(C(F)(F)F)N(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)N=C1	REAL300020056529	1	35	-2.0	-82.54	326.63	3.52	-79.02
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=N[N-]N=N3)CC2)O1	REAL300020056530	0	40	-2.0	-96.98	363.00	0.02	-96.96
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NN=N[N-]3)CC2)O1	REAL300020056530	1	40	-2.0	-96.97	363.06	0.04	-96.93
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300020056531	0	32	-2.0	-87.05	297.70	3.42	-83.63
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300020056531	1	32	-2.0	-87.06	297.65	3.41	-83.65
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(C)=C1OCC(=O)[O-]	REAL300020056532	0	35	-2.0	-84.81	315.10	3.64	-81.17
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(C)=C1OCC(=O)[O-]	REAL300020056532	1	35	-2.0	-84.78	315.16	3.65	-81.13
O=C([O-])C1=CC(Br)=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL300020056533	0	25	-2.0	-84.68	261.29	2.41	-82.27
O=C([O-])C1=CC(Br)=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL300020056533	1	25	-2.0	-84.68	261.35	2.43	-82.25
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL300020056534	0	35	-2.0	-109.67	306.10	5.21	-104.46
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL300020056534	1	35	-2.0	-109.67	306.05	5.19	-104.48
O=C([O-])CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020056535	0	32	-2.0	-101.23	292.16	2.51	-98.72
O=C([O-])CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020056535	1	32	-2.0	-101.22	292.21	2.53	-98.69
O=C([O-])C1=CC=C2CCCC(CC(=O)NCC3=N[N-]N=N3)C2=C1	REAL300020056536	0	38	-2.0	-94.93	318.92	4.71	-90.22
O=C([O-])C1=CC=C2CCCC(CC(=O)NCC3=NN=N[N-]3)C2=C1	REAL300020056536	1	38	-2.0	-94.92	318.97	4.73	-90.19
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2=N[N-]N=N2)C1	REAL300020056537	0	34	-2.0	-95.34	308.31	2.39	-92.95
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NCC2=NN=N[N-]2)C1	REAL300020056537	1	34	-2.0	-95.35	308.36	2.40	-92.95
O=C([O-])CC1=C(C(=O)NCC2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020056538	0	32	-2.0	-101.23	292.16	2.51	-98.72
O=C([O-])CC1=C(C(=O)NCC2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020056538	1	32	-2.0	-101.22	292.21	2.53	-98.69
O=C([O-])C1=CN(CC(=O)NCC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020056539	0	32	-2.0	-101.12	298.03	3.94	-97.18
O=C([O-])C1=CN(CC(=O)NCC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020056539	1	32	-2.0	-101.15	298.09	3.95	-97.20
O=C([O-])C1=CC2=C(S1)SC(C(=O)NCC1=NN=N[N-]1)=C2	REAL300020056540	0	25	-2.0	-82.26	269.88	2.39	-79.87
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300020056541	0	29	-2.0	-87.03	277.72	1.50	-85.53
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300020056541	1	29	-2.0	-87.06	277.77	1.51	-85.55
O=C([O-])C1=C2C=C(C(=O)NCC3=N[N-]N=N3)SC2=CC=C1	REAL300020056542	0	28	-2.0	-95.32	275.17	3.08	-92.24
O=C([O-])C1=C2C=C(C(=O)NCC3=NN=N[N-]3)SC2=CC=C1	REAL300020056542	1	28	-2.0	-95.32	275.23	3.09	-92.23
O=C([O-])C1=C2CCCCC2=C(C(=O)NCC2=N[N-]N=N2)S1	REAL300020056543	0	32	-2.0	-88.64	289.01	3.34	-85.30
O=C([O-])C1=C2CCCCC2=C(C(=O)NCC2=NN=N[N-]2)S1	REAL300020056543	1	32	-2.0	-88.67	289.07	3.35	-85.32
O=C([O-])C1(F)CN(C(=O)CCCC2=N[N-]N=N2)CC12CCC2	REAL300020056544	0	38	-2.0	-97.68	318.73	5.06	-92.62
O=C([O-])C1(F)CN(C(=O)CCCC2=NN=N[N-]2)CC12CCC2	REAL300020056544	1	38	-2.0	-97.70	318.79	5.07	-92.63
O=C([O-])C1(F)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCC2	REAL300020056545	0	38	-2.0	-83.63	325.18	5.30	-78.33
O=C([O-])C1(F)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCC2	REAL300020056545	1	38	-2.0	-83.62	325.24	5.31	-78.31
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056546	0	38	-2.0	-98.43	321.49	5.36	-93.07
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056546	1	38	-2.0	-98.44	321.56	5.37	-93.07
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056547	0	37	-2.0	-86.55	310.40	5.05	-81.50
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056547	1	37	-2.0	-86.46	310.47	5.05	-81.41
O=C([O-])C1CC2CCC1N(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020056548	0	38	-2.0	-99.00	313.54	5.61	-93.39
O=C([O-])C1CC2CCC1N(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020056548	1	38	-2.0	-98.93	313.61	5.62	-93.31
COC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C(=O)[O-])C1	REAL300020056549	0	38	-2.0	-99.86	318.04	4.68	-95.18
COC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C(=O)[O-])C1	REAL300020056549	1	38	-2.0	-99.86	318.10	4.69	-95.17
O=C([O-])C1=CN(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)N=N1	REAL300020056550	0	40	-2.0	-102.00	342.13	3.49	-98.51
O=C([O-])C1=CN(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)N=N1	REAL300020056550	1	40	-2.0	-102.03	342.07	3.47	-98.56
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)N=N1	REAL300020056551	0	40	-2.0	-89.94	349.82	3.72	-86.22
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)N=N1	REAL300020056551	1	40	-2.0	-89.93	349.75	3.72	-86.21
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)CCCC1=N[N-]N=N1	REAL300020056552	0	34	-2.0	-102.99	332.09	5.07	-97.92
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)CCCC1=NN=N[N-]1	REAL300020056552	1	34	-2.0	-103.02	332.15	5.09	-97.93
O=C([O-])C1=CC=C(C#CC2=CC=CC=C2NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056553	0	43	-2.0	-96.23	388.06	9.18	-87.05
O=C([O-])C1=CC=C(C#CC2=CC=CC=C2NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056553	1	43	-2.0	-96.22	388.11	9.20	-87.02
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020056554	0	36	-3.0	-166.13	308.74	4.81	-161.32
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020056554	1	36	-3.0	-166.13	308.80	4.82	-161.31
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056555	0	36	-3.0	-165.17	316.56	5.77	-159.40
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056555	1	36	-3.0	-165.15	316.63	5.77	-159.38
CC(CC(=O)[O-])N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020056556	1	42	-2.0	-95.43	333.58	3.44	-91.99
CC(CC(=O)[O-])N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020056556	1	42	-2.0	-95.46	333.64	3.45	-92.01
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056557	0	42	-2.0	-86.37	341.16	3.69	-82.68
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056557	1	42	-2.0	-86.33	341.23	3.70	-82.63
CC(C)(C(=O)[O-])N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020056558	0	42	-2.0	-91.02	327.69	2.81	-88.21
CC(C)(C(=O)[O-])N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020056558	1	42	-2.0	-91.04	327.74	2.82	-88.22
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056559	0	42	-2.0	-83.24	335.35	3.08	-80.16
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056559	1	42	-2.0	-83.16	335.42	3.08	-80.08
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CO1	REAL300020056560	0	31	-2.0	-93.72	297.57	2.05	-91.67
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CO1	REAL300020056560	1	31	-2.0	-93.68	297.63	2.05	-91.63
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL300020056561	0	37	-2.0	-94.53	321.18	3.96	-90.57
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL300020056561	1	37	-2.0	-94.47	321.12	3.95	-90.52
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020056562	0	37	-2.0	-80.74	331.71	3.75	-76.99
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020056562	1	37	-2.0	-80.75	331.78	3.77	-76.98
O=C([O-])CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020056563	0	37	-2.0	-87.31	325.92	3.72	-83.59
O=C([O-])CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020056563	1	37	-2.0	-87.28	325.99	3.72	-83.56
CC(CCF)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056564	0	33	-2.0	-87.76	290.12	2.85	-84.91
CC(CCF)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056564	1	33	-2.0	-87.78	290.19	2.87	-84.91
COC1=CC=CC([C@H](NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300020056565	0	38	-2.0	-111.30	334.46	3.68	-107.62
COC1=CC=CC([C@H](NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300020056565	1	38	-2.0	-111.31	334.51	3.70	-107.61
COC1=CC=CC([C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])=C1	REAL300020056566	0	38	-2.0	-96.62	345.02	3.49	-93.13
COC1=CC=CC([C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])=C1	REAL300020056566	1	38	-2.0	-96.58	345.09	3.49	-93.09
O=C([O-])CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056567	0	37	-2.0	-94.05	329.71	4.82	-89.23
O=C([O-])CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056567	1	37	-2.0	-94.03	329.77	4.84	-89.19
O=C([O-])CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056568	0	37	-2.0	-84.49	340.30	4.61	-79.88
O=C([O-])CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056568	1	37	-2.0	-84.49	340.37	4.62	-79.87
O=C([O-])C1=CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056569	0	32	-2.0	-85.45	295.98	2.85	-82.60
O=C([O-])C1=CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056569	1	32	-2.0	-85.44	296.04	2.86	-82.58
O=C([O-])C1C2=C(CCN1C(=O)CCCC1=N[N-]N=N1)OC=C2	REAL300020056570	0	35	-2.0	-110.20	302.45	4.60	-105.60
O=C([O-])C1C2=C(CCN1C(=O)CCCC1=NN=N[N-]1)OC=C2	REAL300020056570	1	35	-2.0	-110.24	302.51	4.62	-105.62
O=C([O-])C1C2=C(CCN1C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)OC=C2	REAL300020056571	0	35	-2.0	-99.15	309.79	4.87	-94.28
O=C([O-])C1C2=C(CCN1C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)OC=C2	REAL300020056571	1	35	-2.0	-99.15	309.85	4.87	-94.28
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300020056572	0	38	-2.0	-107.08	323.40	6.17	-100.91
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300020056572	1	38	-2.0	-107.05	323.46	6.18	-100.87
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020056573	0	38	-2.0	-95.61	330.46	6.51	-89.10
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020056573	1	38	-2.0	-95.56	330.53	6.52	-89.04
COC1=CC=CC(CC(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300020056574	0	41	-2.0	-109.06	356.68	4.64	-104.42
COC1=CC=CC(CC(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300020056574	1	41	-2.0	-109.09	356.73	4.65	-104.44
COC1=CC=CC(CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])=C1	REAL300020056575	0	41	-2.0	-93.73	367.26	4.43	-89.30
COC1=CC=CC(CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])=C1	REAL300020056575	1	41	-2.0	-93.69	367.33	4.44	-89.25
O=C([O-])C1=CN=C(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)S1	REAL300020056576	0	40	-2.0	-97.66	352.67	5.06	-92.60
O=C([O-])C1=CN=C(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)S1	REAL300020056576	1	40	-2.0	-97.63	352.72	5.07	-92.56
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)S1	REAL300020056577	0	40	-2.0	-86.31	360.35	5.30	-81.01
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)S1	REAL300020056577	1	40	-2.0	-86.29	360.42	5.31	-80.98
CC1(C)CCCC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])C1	REAL300020056578	0	43	-2.0	-114.02	326.26	6.01	-108.01
CC1(C)CCCC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])C1	REAL300020056578	1	43	-2.0	-113.99	326.32	6.03	-107.96
CC1(C)CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])C1	REAL300020056579	0	43	-2.0	-95.69	336.83	5.81	-89.88
CC1(C)CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])C1	REAL300020056579	1	43	-2.0	-95.68	336.89	5.81	-89.87
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056580	0	35	-2.0	-82.14	301.69	2.92	-79.22
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056580	1	35	-2.0	-82.14	301.76	2.92	-79.22
O=C([O-])CCCCCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL300020056581	0	54	-2.0	-94.89	441.80	8.18	-86.71
O=C([O-])CCCCCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL300020056581	1	54	-2.0	-94.88	441.85	8.20	-86.68
O=C([O-])CCCCCCCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056582	0	54	-2.0	-83.79	452.39	7.98	-75.81
O=C([O-])CCCCCCCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056582	1	54	-2.0	-83.77	452.46	7.99	-75.78
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(OCC(F)F)=C1	REAL300020056583	0	38	-2.0	-99.90	344.15	4.58	-95.32
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(OCC(F)F)=C1	REAL300020056583	1	38	-2.0	-99.96	344.21	4.59	-95.37
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(OCC(F)F)=C1	REAL300020056584	0	38	-2.0	-86.83	355.63	4.37	-82.46
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(OCC(F)F)=C1	REAL300020056584	1	38	-2.0	-86.90	355.56	4.37	-82.53
CC(OC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F)C(=O)[O-]	REAL300020056585	0	38	-2.0	-104.33	336.83	4.88	-99.45
CC(OC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F)C(=O)[O-]	REAL300020056585	1	38	-2.0	-104.33	336.88	4.89	-99.44
CC(OC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1F)C(=O)[O-]	REAL300020056586	0	38	-2.0	-87.62	347.42	4.65	-82.97
CC(OC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1F)C(=O)[O-]	REAL300020056586	1	38	-2.0	-87.57	347.49	4.67	-82.90
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H](C(=O)[O-])O1	REAL300020056587	0	35	-2.0	-92.59	301.37	3.75	-88.84
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H](C(=O)[O-])O1	REAL300020056587	1	35	-2.0	-92.57	301.43	3.76	-88.81
O=C([O-])C1=CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056588	0	32	-2.0	-85.45	295.98	2.85	-82.60
O=C([O-])C1=CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056588	1	32	-2.0	-85.44	296.04	2.86	-82.58
O=C([O-])C1N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCCC2	REAL300020056589	0	38	-2.0	-98.08	321.64	5.83	-92.25
O=C([O-])C1N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCCC2	REAL300020056589	1	38	-2.0	-98.02	321.71	5.83	-92.19
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056590	0	38	-2.0	-98.83	319.84	4.29	-94.54
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056590	1	38	-2.0	-98.75	319.91	4.29	-94.46
C[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[C@H]1C(=O)[O-]	REAL300020056591	0	37	-2.0	-85.14	305.20	5.07	-80.07
C[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[C@H]1C(=O)[O-]	REAL300020056591	1	37	-2.0	-85.11	305.27	5.07	-80.04
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL300020056592	0	37	-2.0	-92.45	323.02	3.08	-89.37
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL300020056592	1	37	-2.0	-92.44	322.97	3.06	-89.38
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300020056593	0	37	-2.0	-81.22	331.97	2.78	-78.44
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300020056593	1	37	-2.0	-81.26	332.04	2.79	-78.47
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056594	0	34	-2.0	-91.03	296.43	3.44	-87.59
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056594	1	34	-2.0	-91.00	296.50	3.44	-87.56
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300020056595	0	34	-2.0	-84.30	295.62	4.52	-79.78
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300020056595	1	34	-2.0	-84.26	295.68	4.55	-79.71
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056596	0	32	-2.0	-97.03	281.34	4.81	-92.22
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056596	1	32	-2.0	-97.02	281.41	4.81	-92.21
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056597	0	37	-2.0	-94.44	316.95	4.20	-90.24
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056597	1	37	-2.0	-94.42	317.02	4.21	-90.21
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL300020056598	0	38	-2.0	-89.60	316.23	2.50	-87.10
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOCC1	REAL300020056598	1	38	-2.0	-89.59	316.30	2.49	-87.10
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020056599	0	34	-2.0	-103.75	321.66	4.92	-98.83
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020056599	1	34	-2.0	-103.81	321.72	4.93	-98.88
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300020056600	0	34	-2.0	-90.21	332.30	4.70	-85.51
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300020056600	1	34	-2.0	-90.19	332.36	4.72	-85.47
O=C([O-])CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056601	0	34	-2.0	-84.28	314.21	4.49	-79.79
O=C([O-])CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056601	1	34	-2.0	-84.27	314.28	4.50	-79.77
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056602	0	39	-2.0	-93.35	358.00	0.41	-92.94
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056602	1	39	-2.0	-93.35	358.06	0.43	-92.92
O=C([O-])CC(C1=CC=CC=C1)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020056603	0	50	-2.0	-94.14	388.99	8.50	-85.64
O=C([O-])CC(C1=CC=CC=C1)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020056603	1	50	-2.0	-94.14	389.04	8.52	-85.62
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL300020056604	0	40	-2.0	-94.91	354.72	5.64	-89.27
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL300020056604	1	40	-2.0	-94.90	354.78	5.65	-89.25
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=C(F)C=C1	REAL300020056605	0	40	-2.0	-86.86	358.80	5.46	-81.40
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=C(F)C=C1	REAL300020056605	1	40	-2.0	-86.83	358.86	5.47	-81.36
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(OCC(F)(F)F)=C1	REAL300020056606	0	38	-2.0	-95.97	351.53	4.71	-91.26
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(OCC(F)(F)F)=C1	REAL300020056606	1	38	-2.0	-96.01	351.59	4.73	-91.28
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056607	0	34	-2.0	-87.29	295.34	4.36	-82.93
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056607	1	34	-2.0	-87.31	295.41	4.38	-82.93
O=C([O-])C1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL300020056608	0	35	-2.0	-99.19	310.39	5.58	-93.61
O=C([O-])C1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL300020056608	1	35	-2.0	-99.23	310.45	5.60	-93.63
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2=C1	REAL300020056609	0	35	-2.0	-84.99	317.47	5.70	-79.29
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2=C1	REAL300020056609	1	35	-2.0	-85.03	317.53	5.71	-79.32
O=C([O-])C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020056610	0	37	-2.0	-100.65	326.42	5.57	-95.08
O=C([O-])C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020056610	1	37	-2.0	-100.66	326.48	5.58	-95.08
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020056611	0	37	-2.0	-88.49	330.10	4.54	-83.95
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020056611	1	37	-2.0	-88.50	330.17	4.54	-83.96
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(OC(F)F)=C1	REAL300020056612	0	35	-2.0	-104.21	319.05	3.62	-100.59
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(OC(F)F)=C1	REAL300020056612	1	35	-2.0	-104.20	319.11	3.63	-100.57
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(OC(F)F)=C1	REAL300020056613	0	35	-2.0	-88.62	330.53	3.41	-85.21
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(OC(F)F)=C1	REAL300020056613	1	35	-2.0	-88.65	330.46	3.41	-85.24
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)CC(=O)[O-]	REAL300020056614	0	36	-2.0	-80.60	293.99	4.30	-76.30
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)CC(=O)[O-]	REAL300020056614	1	36	-2.0	-80.60	294.06	4.30	-76.30
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300020056615	0	37	-2.0	-91.68	312.72	3.88	-87.80
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300020056615	1	37	-2.0	-91.64	312.79	3.88	-87.76
O=C([O-])C1CCCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056616	0	37	-2.0	-97.29	302.18	6.26	-91.03
O=C([O-])C1CCCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056616	1	37	-2.0	-97.22	302.25	6.26	-90.96
O=C([O-])CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300020056617	0	37	-2.0	-96.60	310.28	6.13	-90.47
O=C([O-])CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300020056617	1	37	-2.0	-96.56	310.35	6.14	-90.42
O=C([O-])COC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056618	0	35	-2.0	-99.24	312.56	4.20	-95.04
O=C([O-])COC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056618	1	35	-2.0	-99.26	312.61	4.21	-95.05
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056619	0	35	-2.0	-83.95	323.14	3.98	-79.97
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056619	1	35	-2.0	-83.92	323.20	3.99	-79.93
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C(C(=O)[O-])S1	REAL300020056620	0	31	-2.0	-92.42	300.42	3.61	-88.81
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C(C(=O)[O-])S1	REAL300020056620	1	31	-2.0	-92.40	300.36	3.60	-88.80
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020056621	0	40	-2.0	-117.34	338.41	6.08	-111.26
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020056621	1	40	-2.0	-117.39	338.47	6.09	-111.30
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056622	0	40	-2.0	-95.87	347.97	5.82	-90.05
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056622	1	40	-2.0	-95.39	348.99	5.86	-89.53
O=C([O-])C1=CC=CC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300020056623	0	38	-2.0	-108.49	322.22	6.31	-102.18
O=C([O-])C1=CC=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300020056623	1	38	-2.0	-108.49	322.28	6.32	-102.17
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020056624	0	38	-2.0	-90.83	330.07	6.59	-84.24
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020056624	1	38	-2.0	-90.82	330.14	6.59	-84.23
COCC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300020056625	0	38	-2.0	-118.05	336.54	3.65	-114.40
COCC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300020056625	1	38	-2.0	-118.12	336.60	3.67	-114.45
COCC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(C(=O)[O-])=C1	REAL300020056626	0	38	-2.0	-96.21	347.49	3.43	-92.78
COCC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(C(=O)[O-])=C1	REAL300020056626	1	38	-2.0	-96.20	347.42	3.42	-92.78
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCCC1=N[N-]N=N1	REAL300020056627	0	43	-2.0	-110.11	370.75	7.45	-102.66
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCCC1=NN=N[N-]1	REAL300020056627	1	43	-2.0	-110.13	370.81	7.46	-102.67
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056628	0	43	-2.0	-94.56	380.41	7.15	-87.41
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056628	1	43	-2.0	-94.58	380.46	7.16	-87.42
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020056629	0	37	-2.0	-101.15	347.62	6.17	-94.98
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020056629	1	37	-2.0	-101.17	347.67	6.19	-94.98
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=C(Br)C=C1C(=O)[O-]	REAL300020056630	0	34	-2.0	-92.97	315.72	5.30	-87.67
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=C(Br)C=C1C(=O)[O-]	REAL300020056630	1	34	-2.0	-92.99	315.78	5.32	-87.67
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056631	0	45	-2.0	-114.59	391.96	7.33	-107.26
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056631	1	45	-2.0	-114.59	392.01	7.35	-107.24
CS(=O)(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300020056632	0	37	-2.0	-120.43	342.14	1.46	-118.97
CS(=O)(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300020056632	1	37	-2.0	-120.43	342.20	1.47	-118.96
CS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(C(=O)[O-])=C1	REAL300020056633	0	37	-2.0	-100.46	353.06	1.24	-99.22
CS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(C(=O)[O-])=C1	REAL300020056633	1	37	-2.0	-100.54	352.98	1.23	-99.31
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300020056634	0	40	-2.0	-92.60	338.06	4.57	-88.03
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300020056634	1	40	-2.0	-92.59	338.12	4.58	-88.01
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)CCCC1=N[N-]N=N1	REAL300020056635	0	41	-2.0	-116.42	342.96	8.23	-108.19
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)CCCC1=NN=N[N-]1	REAL300020056635	1	41	-2.0	-116.46	343.01	8.24	-108.22
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056636	0	41	-2.0	-98.28	341.80	8.42	-89.86
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056636	1	41	-2.0	-98.27	341.86	8.42	-89.85
O=C([O-])C1=CN(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)N=N1	REAL300020056637	0	37	-2.0	-105.15	326.87	2.74	-102.41
O=C([O-])C1=CN(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)N=N1	REAL300020056637	1	37	-2.0	-105.11	326.81	2.72	-102.39
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)N=N1	REAL300020056638	0	37	-2.0	-87.40	334.45	2.89	-84.51
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)N=N1	REAL300020056638	1	37	-2.0	-87.43	334.39	2.88	-84.55
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)CCCC4=N[N-]N=N4)CC3)C2=C1	REAL300020056639	0	42	-2.0	-115.00	355.98	6.30	-108.70
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)CCCC4=NN=N[N-]4)CC3)C2=C1	REAL300020056639	1	42	-2.0	-115.08	356.04	6.32	-108.76
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4=CC=C(C5=N[N-]N=N5)C=N4)CC3)C2=C1	REAL300020056640	0	42	-2.0	-106.84	363.53	6.61	-100.23
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4=CC=C(C5=NN=N[N-]5)C=N4)CC3)C2=C1	REAL300020056640	1	42	-2.0	-106.76	363.60	6.62	-100.14
O=C([O-])C1=CSC(C2CCCN2C(=O)CCCC2=N[N-]N=N2)=N1	REAL300020056641	0	37	-2.0	-118.29	336.41	4.23	-114.06
O=C([O-])C1=CSC(C2CCCN2C(=O)CCCC2=NN=N[N-]2)=N1	REAL300020056641	1	37	-2.0	-118.33	336.47	4.25	-114.08
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020056642	0	37	-2.0	-96.46	343.70	4.51	-91.95
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020056642	1	37	-2.0	-96.41	343.76	4.51	-91.90
O=C([O-])C1=CSC(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL300020056643	0	40	-2.0	-100.56	351.23	4.77	-95.79
O=C([O-])C1=CSC(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300020056643	1	40	-2.0	-100.58	351.29	4.78	-95.80
O=C([O-])C1=CSC(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=N1	REAL300020056644	0	40	-2.0	-90.17	358.90	5.01	-85.16
O=C([O-])C1=CSC(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=N1	REAL300020056644	1	40	-2.0	-90.18	358.97	5.03	-85.15
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056645	0	40	-2.0	-97.39	330.44	7.08	-90.31
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056645	1	40	-2.0	-97.43	330.51	7.08	-90.35
O=C([O-])CC1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL300020056646	0	41	-2.0	-98.21	322.76	2.32	-95.89
O=C([O-])CC1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL300020056646	1	41	-2.0	-98.19	322.82	2.33	-95.86
O=C([O-])CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL300020056647	0	41	-2.0	-88.29	333.39	2.12	-86.17
O=C([O-])CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOCC1	REAL300020056647	1	41	-2.0	-88.25	333.46	2.13	-86.12
O=C([O-])C(F)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056648	0	31	-2.0	-85.67	290.35	3.37	-82.30
O=C([O-])C(F)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056648	1	31	-2.0	-85.64	290.41	3.38	-82.26
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056649	0	37	-2.0	-91.81	313.72	4.51	-87.30
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056649	1	37	-2.0	-91.81	313.81	4.52	-87.29
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056650	0	37	-2.0	-91.81	313.72	4.51	-87.30
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056650	1	37	-2.0	-91.81	313.81	4.52	-87.29
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=C(C(=O)[O-])S1	REAL300020056651	0	33	-2.0	-90.48	314.21	2.22	-88.26
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=C(C(=O)[O-])S1	REAL300020056651	1	33	-2.0	-90.53	314.27	2.23	-88.30
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=C(C(=O)[O-])S1	REAL300020056652	0	33	-2.0	-83.43	324.81	2.01	-81.42
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=C(C(=O)[O-])S1	REAL300020056652	1	33	-2.0	-83.38	324.88	2.01	-81.37
O=C([O-])[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1CCCC2	REAL300020056653	0	41	-2.0	-110.91	324.92	5.68	-105.23
O=C([O-])[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1CCCC2	REAL300020056653	1	41	-2.0	-110.90	324.98	5.70	-105.20
O=C([O-])[C@]12CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]1CCCC2	REAL300020056654	0	41	-2.0	-97.59	332.02	5.93	-91.66
O=C([O-])[C@]12CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]1CCCC2	REAL300020056654	1	41	-2.0	-97.60	332.09	5.95	-91.65
O=C([O-])C1=C(Br)C2=C(CN(C(=O)CCCC3=N[N-]N=N3)C2)S1	REAL300020056655	0	32	-2.0	-93.78	318.59	5.30	-88.48
O=C([O-])C1=C(Br)C2=C(CN(C(=O)CCCC3=NN=N[N-]3)C2)S1	REAL300020056655	1	32	-2.0	-93.79	318.65	5.31	-88.48
O=C([O-])C1(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CCOC1	REAL300020056656	0	44	-2.0	-102.17	342.98	1.47	-100.70
O=C([O-])C1(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CCOC1	REAL300020056656	1	44	-2.0	-102.18	343.04	1.49	-100.69
O=C([O-])C1(N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CCOC1	REAL300020056657	0	44	-2.0	-91.06	350.45	1.74	-89.32
O=C([O-])C1(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CCOC1	REAL300020056657	1	44	-2.0	-91.02	350.52	1.74	-89.28
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300020056658	0	38	-2.0	-93.62	323.88	1.90	-91.72
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300020056658	1	38	-2.0	-93.59	323.95	1.91	-91.68
O=C([O-])CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL300020056659	0	43	-2.0	-91.05	330.92	4.71	-86.34
O=C([O-])CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL300020056659	1	43	-2.0	-91.03	330.98	4.72	-86.31
O=C([O-])CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL300020056660	0	43	-2.0	-84.99	341.51	4.50	-80.49
O=C([O-])CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL300020056660	1	43	-2.0	-84.99	341.58	4.50	-80.49
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020056661	0	40	-2.0	-96.68	352.56	3.72	-92.96
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020056661	1	40	-2.0	-96.68	352.61	3.74	-92.94
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056662	0	40	-2.0	-83.14	360.70	3.46	-79.68
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056662	1	40	-2.0	-83.20	360.82	3.47	-79.73
CC(CC1=CC=C(Cl)C=C1)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020056663	0	40	-2.0	-107.57	347.09	6.25	-101.32
CC(CC1=CC=C(Cl)C=C1)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020056663	1	40	-2.0	-107.56	347.15	6.26	-101.30
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056664	0	40	-2.0	-90.84	357.67	6.08	-84.76
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056664	1	40	-2.0	-90.83	357.75	6.08	-84.75
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCOC1	REAL300020056665	0	38	-2.0	-88.69	322.74	2.08	-86.61
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCOC1	REAL300020056665	1	38	-2.0	-88.67	322.80	2.08	-86.59
O=C([O-])C1=COC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056666	0	31	-2.0	-87.48	301.23	2.07	-85.41
O=C([O-])C1=COC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056666	1	31	-2.0	-87.49	301.30	2.07	-85.42
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C21	REAL300020056667	0	38	-2.0	-113.81	317.95	6.93	-106.88
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C21	REAL300020056667	1	38	-2.0	-113.79	318.01	6.95	-106.84
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2=CC=CC=C21	REAL300020056668	0	38	-2.0	-89.53	328.14	6.42	-83.11
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2=CC=CC=C21	REAL300020056668	1	38	-2.0	-89.53	328.20	6.43	-83.10
CCC(CC)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056669	0	39	-2.0	-90.77	326.00	3.40	-87.37
CCC(CC)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056669	1	39	-2.0	-90.75	326.06	3.41	-87.34
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056670	0	34	-2.0	-91.03	296.43	3.44	-87.59
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056670	1	34	-2.0	-91.00	296.50	3.44	-87.56
CC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300020056671	0	39	-2.0	-112.25	341.00	6.04	-106.21
CC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300020056671	1	39	-2.0	-112.25	341.05	6.06	-106.19
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300020056672	0	39	-2.0	-96.05	351.57	5.86	-90.19
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300020056672	1	39	-2.0	-96.08	351.64	5.86	-90.22
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056673	0	37	-2.0	-80.78	336.09	0.43	-80.35
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056673	1	37	-2.0	-80.74	336.15	0.46	-80.28
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056674	0	38	-2.0	-98.36	332.17	6.10	-92.26
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056674	1	38	-2.0	-98.40	332.22	6.11	-92.29
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056675	0	38	-2.0	-86.08	342.46	5.90	-80.18
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056675	1	38	-2.0	-86.03	342.53	5.90	-80.13
O=C(CCCC1=N[N-]N=N1)NCC(C(=O)[O-])C1CCCCC1	REAL300020056676	0	43	-2.0	-94.65	342.00	5.05	-89.60
O=C(CCCC1=NN=N[N-]1)NCC(C(=O)[O-])C1CCCCC1	REAL300020056676	1	43	-2.0	-94.63	342.05	5.07	-89.56
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300020056677	0	43	-2.0	-90.07	351.27	4.87	-85.20
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300020056677	1	43	-2.0	-90.03	351.34	4.87	-85.16
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056678	0	34	-2.0	-89.02	318.94	2.93	-86.09
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056678	1	34	-2.0	-89.02	319.01	2.93	-86.09
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056679	0	37	-2.0	-98.98	303.24	5.98	-93.00
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056679	1	37	-2.0	-98.97	303.30	5.98	-92.99
O=C([O-])C1=NN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2F)C=C1	REAL300020056680	0	38	-2.0	-122.34	345.42	5.34	-117.00
O=C([O-])C1=NN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2F)C=C1	REAL300020056680	1	38	-2.0	-122.39	345.36	5.32	-117.07
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2F)C=C1	REAL300020056681	0	38	-2.0	-88.60	355.15	4.94	-83.66
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2F)C=C1	REAL300020056681	1	38	-2.0	-88.67	355.08	4.92	-83.75
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)N=N1	REAL300020056682	0	43	-2.0	-93.71	371.92	4.29	-89.42
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)N=N1	REAL300020056682	1	43	-2.0	-93.70	371.97	4.31	-89.39
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020056683	0	37	-2.0	-107.48	319.89	6.22	-101.26
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020056683	1	37	-2.0	-107.48	319.95	6.23	-101.25
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C12	REAL300020056684	0	37	-2.0	-88.43	330.54	6.02	-82.41
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C12	REAL300020056684	1	37	-2.0	-88.47	330.47	6.01	-82.46
COC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C(=O)[O-])C1	REAL300020056685	0	38	-2.0	-95.71	325.84	4.01	-91.70
COC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C(=O)[O-])C1	REAL300020056685	1	38	-2.0	-95.72	325.91	4.02	-91.70
O=C(CCCC1=N[N-]N=N1)NC(CC1CCCOC1)C(=O)[O-]	REAL300020056686	0	41	-2.0	-106.00	339.95	3.20	-102.80
O=C(CCCC1=NN=N[N-]1)NC(CC1CCCOC1)C(=O)[O-]	REAL300020056686	1	41	-2.0	-105.98	340.01	3.22	-102.76
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056687	0	41	-2.0	-91.78	350.53	3.01	-88.77
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056687	1	41	-2.0	-91.78	350.60	3.02	-88.76
C[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@]1(C)C(=O)[O-]	REAL300020056688	0	37	-2.0	-86.74	310.55	4.55	-82.19
C[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@]1(C)C(=O)[O-]	REAL300020056688	1	37	-2.0	-86.71	310.62	4.55	-82.16
CC(C)(C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056689	0	36	-2.0	-91.83	310.18	3.23	-88.60
CC(C)(C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056689	1	36	-2.0	-91.80	310.25	3.23	-88.57
C=C(Cl)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056690	0	31	-2.0	-88.65	308.65	3.17	-85.48
C=C(Cl)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056690	1	31	-2.0	-88.61	308.72	3.17	-85.44
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056691	0	35	-2.0	-98.12	295.62	5.75	-92.37
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056691	1	35	-2.0	-98.07	295.68	5.75	-92.32
C=C(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056692	0	34	-2.0	-89.70	312.40	3.35	-86.35
C=C(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056692	1	34	-2.0	-89.64	312.47	3.35	-86.29
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020056693	0	34	-2.0	-116.06	315.47	5.25	-110.81
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020056693	1	34	-2.0	-116.08	315.53	5.26	-110.82
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020056694	0	35	-2.0	-85.65	312.48	3.47	-82.18
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020056694	1	35	-2.0	-85.68	312.55	3.48	-82.20
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056695	0	35	-2.0	-92.80	309.22	1.61	-91.19
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056695	1	35	-2.0	-92.80	309.29	1.61	-91.19
O=C([O-])CNC(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056696	0	31	-2.0	-80.54	295.74	-1.23	-81.77
O=C([O-])CNC(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056696	1	31	-2.0	-80.52	295.81	-1.22	-81.74
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300020056697	0	35	-2.0	-85.53	300.47	3.62	-81.91
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300020056697	1	35	-2.0	-85.49	300.54	3.62	-81.87
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056698	0	32	-2.0	-91.93	298.64	1.22	-90.71
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056698	1	32	-2.0	-91.90	298.71	1.23	-90.67
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020056699	0	37	-2.0	-84.88	309.64	3.69	-81.19
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020056699	1	37	-2.0	-84.88	309.71	3.70	-81.18
O=C([O-])C=CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020056700	0	35	-2.0	-103.69	313.07	5.20	-98.49
O=C([O-])C=CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020056700	1	35	-2.0	-103.73	313.13	5.22	-98.51
O=C([O-])C=CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056701	0	35	-2.0	-85.75	323.63	5.01	-80.74
O=C([O-])C=CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056701	1	35	-2.0	-85.75	323.70	5.01	-80.74
O=C([O-])CSC(CNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL300020056702	0	34	-2.0	-91.99	323.91	3.47	-88.52
O=C([O-])CSC(CNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL300020056702	1	34	-2.0	-91.97	323.96	3.49	-88.48
O=C([O-])CSC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)(F)F	REAL300020056703	0	34	-2.0	-85.86	334.50	3.26	-82.60
O=C([O-])CSC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)(F)F	REAL300020056703	1	34	-2.0	-85.85	334.57	3.27	-82.58
O=C([O-])C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020056704	0	37	-2.0	-99.80	347.72	6.18	-93.62
O=C([O-])C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020056704	1	37	-2.0	-99.83	347.78	6.20	-93.63
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056705	0	40	-2.0	-106.56	340.85	5.41	-101.15
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056705	1	40	-2.0	-106.56	340.91	5.43	-101.13
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056706	0	40	-2.0	-89.24	351.45	5.20	-84.04
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056706	1	40	-2.0	-89.25	351.52	5.21	-84.04
O=C([O-])CC1CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020056707	0	38	-2.0	-101.04	321.63	6.50	-94.54
O=C([O-])CC1CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020056707	1	38	-2.0	-101.04	321.69	6.52	-94.52
O=C([O-])CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C21	REAL300020056708	0	38	-2.0	-94.95	332.52	6.92	-88.03
O=C([O-])CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C21	REAL300020056708	1	38	-2.0	-94.91	332.59	6.92	-87.99
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020056709	0	37	-2.0	-122.40	322.76	6.06	-116.34
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020056709	1	37	-2.0	-122.36	322.82	6.07	-116.29
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC2=CC=CC=C21	REAL300020056710	0	37	-2.0	-99.33	333.69	5.85	-93.48
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC2=CC=CC=C21	REAL300020056710	1	37	-2.0	-99.37	333.63	5.84	-93.53
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL300020056711	0	43	-2.0	-97.89	368.79	5.52	-92.37
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300020056711	1	43	-2.0	-97.96	368.84	5.53	-92.43
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=N1	REAL300020056712	0	43	-2.0	-86.39	376.46	5.77	-80.62
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=N1	REAL300020056712	1	43	-2.0	-86.32	376.53	5.77	-80.55
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1F	REAL300020056713	0	31	-2.0	-97.19	296.98	3.75	-93.44
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1F	REAL300020056713	1	31	-2.0	-97.21	296.91	3.73	-93.48
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056714	0	32	-2.0	-82.09	288.92	0.93	-81.16
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056714	1	32	-2.0	-82.08	288.98	0.94	-81.14
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL300020056715	0	45	-2.0	-101.70	349.89	6.50	-95.20
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL300020056715	1	45	-2.0	-101.71	349.94	6.51	-95.20
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056716	0	45	-2.0	-85.08	351.16	7.36	-77.72
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056716	1	45	-2.0	-85.01	351.23	7.38	-77.63
O=C([O-])CCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056717	0	37	-2.0	-93.92	325.32	5.50	-88.42
O=C([O-])CCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056717	1	37	-2.0	-93.90	325.37	5.51	-88.39
O=C([O-])CCC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056718	0	37	-2.0	-89.25	335.61	5.29	-83.96
O=C([O-])CCC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056718	1	37	-2.0	-83.89	335.97	5.30	-78.59
CC(CC1=CC=C(F)C=C1)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020056719	0	40	-2.0	-107.88	336.76	5.80	-102.08
CC(CC1=CC=C(F)C=C1)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020056719	1	40	-2.0	-107.87	336.82	5.81	-102.06
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056720	0	40	-2.0	-90.95	347.36	5.62	-85.33
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056720	1	40	-2.0	-90.98	347.42	5.63	-85.35
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056721	0	31	-2.0	-87.70	288.47	4.64	-83.06
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056721	1	31	-2.0	-87.71	288.54	4.64	-83.07
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056722	0	31	-2.0	-92.22	282.01	4.57	-87.65
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056722	1	31	-2.0	-92.23	282.07	4.57	-87.66
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056723	0	32	-2.0	-96.49	291.08	4.38	-92.11
C=C1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056723	1	32	-2.0	-96.41	291.15	4.39	-92.02
O=C(CCCC1=N[N-]N=N1)NC(CC1CCOCC1)C(=O)[O-]	REAL300020056724	0	41	-2.0	-105.66	340.26	3.13	-102.53
O=C(CCCC1=NN=N[N-]1)NC(CC1CCOCC1)C(=O)[O-]	REAL300020056724	1	41	-2.0	-105.69	340.31	3.14	-102.55
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056725	0	41	-2.0	-90.91	350.85	2.93	-87.98
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056725	1	41	-2.0	-90.89	350.91	2.94	-87.95
CC(C)C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056726	0	36	-2.0	-90.92	318.04	3.47	-87.45
CC(C)C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056726	1	36	-2.0	-90.86	318.11	3.47	-87.39
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300020056727	0	38	-2.0	-93.62	323.88	1.90	-91.72
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300020056727	1	38	-2.0	-93.59	323.95	1.91	-91.68
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020056728	0	38	-2.0	-95.49	318.56	5.15	-90.34
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020056728	1	38	-2.0	-95.42	318.62	5.17	-90.25
O=C([O-])[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020056729	0	38	-2.0	-93.32	324.99	5.09	-88.23
O=C([O-])[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020056729	1	38	-2.0	-93.33	325.05	5.10	-88.23
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C21	REAL300020056730	0	38	-2.0	-86.08	336.10	4.89	-81.19
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C21	REAL300020056730	1	38	-2.0	-86.04	336.16	4.89	-81.15
O=C([O-])[C@@H](CNC(=O)CCCC1=N[N-]N=N1)OC1=CC=CC=C1	REAL300020056731	0	38	-2.0	-100.62	336.15	4.29	-96.33
O=C([O-])[C@@H](CNC(=O)CCCC1=NN=N[N-]1)OC1=CC=CC=C1	REAL300020056731	1	38	-2.0	-100.62	336.21	4.31	-96.31
O=C([O-])[C@@H](CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)OC1=CC=CC=C1	REAL300020056732	0	38	-2.0	-87.96	346.74	4.08	-83.88
O=C([O-])[C@@H](CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)OC1=CC=CC=C1	REAL300020056732	1	38	-2.0	-87.95	346.81	4.10	-83.85
O=C([O-])[C@@H]1[C@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1(F)F	REAL300020056733	0	31	-2.0	-84.80	297.55	2.41	-82.39
O=C([O-])[C@@H]1[C@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1(F)F	REAL300020056733	1	31	-2.0	-84.76	297.62	2.42	-82.34
O=C([O-])C1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=C1	REAL300020056734	0	38	-2.0	-100.56	323.96	6.33	-94.23
O=C([O-])C1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=C1	REAL300020056734	1	38	-2.0	-100.56	324.02	6.35	-94.21
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC2=C1	REAL300020056735	0	38	-2.0	-89.43	331.37	6.60	-82.83
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC2=C1	REAL300020056735	1	38	-2.0	-89.38	331.44	6.61	-82.77
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056736	0	35	-2.0	-84.75	302.22	1.90	-82.85
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056736	1	35	-2.0	-84.74	302.28	1.90	-82.84
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CCCC1=N[N-]N=N1	REAL300020056737	0	38	-2.0	-103.08	318.57	6.58	-96.50
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CCCC1=NN=N[N-]1	REAL300020056737	1	38	-2.0	-103.07	318.62	6.60	-96.47
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056738	0	38	-2.0	-102.38	325.77	7.94	-94.44
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056738	1	38	-2.0	-102.33	325.86	7.93	-94.40
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056739	0	40	-2.0	-92.38	316.91	5.29	-87.09
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056739	1	40	-2.0	-92.36	316.98	5.29	-87.07
O=C([O-])C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020056740	0	37	-2.0	-103.79	339.44	6.15	-97.64
O=C([O-])C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020056740	1	37	-2.0	-103.80	339.50	6.17	-97.63
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1Cl	REAL300020056741	0	37	-2.0	-89.77	339.95	5.46	-84.31
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1Cl	REAL300020056741	1	37	-2.0	-89.71	340.02	5.47	-84.24
O=C([O-])CCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056742	0	40	-2.0	-85.39	333.06	5.80	-79.59
O=C([O-])CCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056742	1	40	-2.0	-85.42	333.13	5.81	-79.61
CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C(=O)[O-])=C1	REAL300020056743	0	38	-2.0	-93.24	327.32	4.46	-88.78
CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C(=O)[O-])=C1	REAL300020056743	1	38	-2.0	-93.29	327.38	4.47	-88.82
CCOC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C(=O)[O-])=C1	REAL300020056744	0	38	-2.0	-93.17	338.99	4.31	-88.86
CCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C(=O)[O-])=C1	REAL300020056744	1	38	-2.0	-93.18	338.92	4.31	-88.87
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C(F)(F)F	REAL300020056745	0	34	-2.0	-93.44	308.09	4.29	-89.15
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C(F)(F)F	REAL300020056745	1	34	-2.0	-93.44	308.15	4.31	-89.13
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1C(F)(F)F	REAL300020056746	0	34	-2.0	-86.77	315.21	4.53	-82.24
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1C(F)(F)F	REAL300020056746	1	34	-2.0	-89.69	315.22	4.56	-85.13
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020056747	0	34	-2.0	-95.17	315.56	4.17	-91.00
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020056747	1	34	-2.0	-95.16	315.63	4.20	-90.96
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020056748	0	37	-2.0	-106.45	343.68	5.39	-101.06
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020056748	1	37	-2.0	-106.49	343.73	5.41	-101.08
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020056749	0	37	-2.0	-91.35	354.30	5.18	-86.17
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020056749	1	37	-2.0	-91.34	354.37	5.18	-86.16
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056750	0	34	-2.0	-90.22	311.27	3.62	-86.60
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056750	1	34	-2.0	-90.22	311.33	3.62	-86.60
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020056751	0	41	-2.0	-104.25	373.16	5.13	-99.12
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020056751	1	41	-2.0	-104.24	373.22	5.14	-99.10
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056752	0	34	-2.0	-86.59	293.40	4.44	-82.15
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056752	1	34	-2.0	-86.59	293.47	4.44	-82.15
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056753	0	39	-2.0	-87.81	325.80	5.95	-81.86
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056753	1	39	-2.0	-87.78	325.87	5.97	-81.81
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020056754	0	38	-2.0	-94.12	316.86	5.34	-88.78
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020056754	1	38	-2.0	-94.06	316.93	5.35	-88.71
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020056755	0	31	-2.0	-85.89	292.21	3.70	-82.19
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020056755	1	31	-2.0	-85.89	292.14	3.70	-82.19
O=C([O-])CC1=CSC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020056756	0	30	-2.0	-89.76	297.90	2.72	-87.04
O=C([O-])CC1=CSC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020056756	1	30	-2.0	-89.75	297.97	2.72	-87.03
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL300020056757	0	36	-2.0	-121.38	327.90	4.55	-116.83
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL300020056757	1	36	-2.0	-121.39	327.85	4.53	-116.86
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020056758	0	36	-2.0	-97.82	338.48	4.33	-93.49
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020056758	1	36	-2.0	-97.93	338.41	4.33	-93.60
CN(C(=O)CCCC1=N[N-]N=N1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300020056759	0	37	-2.0	-100.23	333.62	6.34	-93.89
CN(C(=O)CCCC1=NN=N[N-]1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300020056759	1	37	-2.0	-100.19	333.68	6.35	-93.84
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCCC2=N[N-]N=N2)S1	REAL300020056760	0	40	-2.0	-113.97	355.11	4.85	-109.12
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCCC2=NN=N[N-]2)S1	REAL300020056760	1	40	-2.0	-113.97	355.17	4.87	-109.10
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020056761	0	40	-2.0	-103.14	362.34	5.13	-98.01
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020056761	1	40	-2.0	-103.09	362.41	5.14	-97.95
O=C([O-])CNC(=O)C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300020056762	0	38	-2.0	-104.33	327.31	2.92	-101.41
O=C([O-])CNC(=O)C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300020056762	1	38	-2.0	-104.33	327.36	2.93	-101.40
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056763	0	38	-2.0	-89.52	332.75	3.44	-86.08
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056763	1	38	-2.0	-89.48	332.82	3.44	-86.04
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056764	0	41	-2.0	-105.03	341.82	5.01	-100.02
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056764	1	41	-2.0	-105.05	341.88	5.03	-100.02
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056765	0	41	-2.0	-94.02	349.69	5.40	-88.62
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056765	1	41	-2.0	-94.04	349.75	5.40	-88.64
O=C([O-])C1N(C(=O)CCCC2=N[N-]N=N2)CC12CCOCC2	REAL300020056766	0	39	-2.0	-117.97	322.88	4.19	-113.78
O=C([O-])C1N(C(=O)CCCC2=NN=N[N-]2)CC12CCOCC2	REAL300020056766	1	39	-2.0	-118.01	322.94	4.20	-113.81
O=C([O-])C1N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCOCC2	REAL300020056767	0	39	-2.0	-94.45	323.90	3.95	-90.50
O=C([O-])C1N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCOCC2	REAL300020056767	1	39	-2.0	-94.41	323.97	3.95	-90.46
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020056768	0	30	-2.0	-96.03	297.12	2.97	-93.06
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020056768	1	30	-2.0	-96.07	297.05	2.97	-93.10
O=C([O-])C1=CC(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=NO1	REAL300020056769	0	40	-2.0	-94.21	341.48	5.26	-88.95
O=C([O-])C1=CC(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=NO1	REAL300020056769	1	40	-2.0	-94.24	341.53	5.28	-88.96
O=C([O-])C1=CC(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=NO1	REAL300020056770	0	40	-2.0	-82.71	349.23	5.53	-77.18
O=C([O-])C1=CC(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=NO1	REAL300020056770	1	40	-2.0	-82.71	349.30	5.53	-77.18
O=C([O-])C1=CSC(CC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL300020056771	0	43	-2.0	-101.39	369.55	5.45	-95.94
O=C([O-])C1=CSC(CC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300020056771	1	43	-2.0	-101.41	369.61	5.46	-95.95
O=C([O-])C1=CSC(CC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=N1	REAL300020056772	0	43	-2.0	-92.98	377.27	5.69	-87.29
O=C([O-])C1=CSC(CC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=N1	REAL300020056772	1	43	-2.0	-92.97	377.33	5.70	-87.27
CC(C)CCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056773	0	42	-2.0	-90.14	360.62	4.99	-85.15
CC(C)CCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056773	1	42	-2.0	-90.11	360.69	4.99	-85.12
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)CCCC1=N[N-]N=N1	REAL300020056774	0	40	-2.0	-105.06	356.85	5.79	-99.27
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)CCCC1=NN=N[N-]1	REAL300020056774	1	40	-2.0	-105.02	356.91	5.81	-99.21
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056775	0	40	-2.0	-93.50	367.68	5.52	-87.98
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056775	1	40	-2.0	-93.46	367.75	5.54	-87.92
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056776	0	38	-2.0	-94.13	333.61	3.01	-91.12
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056776	1	38	-2.0	-94.08	333.68	3.02	-91.06
CC[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@]1(F)C(=O)[O-]	REAL300020056777	0	37	-2.0	-87.24	320.62	4.88	-82.36
CC[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@]1(F)C(=O)[O-]	REAL300020056777	1	37	-2.0	-87.19	320.69	4.90	-82.29
O=C(CCCC1=N[N-]N=N1)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300020056778	0	42	-2.0	-99.67	346.38	3.21	-96.46
O=C(CCCC1=NN=N[N-]1)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300020056778	1	42	-2.0	-99.68	346.43	3.22	-96.46
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCO2	REAL300020056779	0	42	-2.0	-86.12	357.67	3.06	-83.06
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCO2	REAL300020056779	1	42	-2.0	-86.14	357.74	3.07	-83.07
CSCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056780	0	31	-2.0	-89.43	302.19	2.58	-86.85
CSCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056780	1	31	-2.0	-89.38	302.25	2.58	-86.80
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300020056781	0	30	-2.0	-86.70	287.79	1.97	-84.73
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300020056781	1	30	-2.0	-86.73	287.72	1.97	-84.76
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056782	0	33	-2.0	-89.73	305.12	2.74	-86.99
CC1=NC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056782	1	33	-2.0	-89.68	305.19	2.75	-86.93
O=C([O-])CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056783	0	34	-2.0	-88.58	306.14	3.05	-85.53
O=C([O-])CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056783	1	34	-2.0	-88.53	306.21	3.05	-85.48
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL300020056784	0	35	-2.0	-96.85	290.49	5.42	-91.43
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL300020056784	1	35	-2.0	-96.82	290.56	5.43	-91.39
O=C([O-])C1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=N1	REAL300020056785	0	37	-2.0	-98.86	319.84	4.55	-94.31
O=C([O-])C1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=N1	REAL300020056785	1	37	-2.0	-98.81	319.90	4.56	-94.25
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2=N1	REAL300020056786	0	37	-2.0	-100.81	327.28	4.83	-95.98
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2=N1	REAL300020056786	1	37	-2.0	-100.74	327.34	4.83	-95.91
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020056787	0	37	-2.0	-103.49	333.34	5.46	-98.03
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020056787	1	37	-2.0	-103.48	333.40	5.48	-98.00
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056788	0	37	-2.0	-88.72	343.98	5.26	-83.46
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056788	1	37	-2.0	-88.76	344.05	5.27	-83.49
CCC(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056789	0	39	-2.0	-91.10	336.20	4.14	-86.96
CCC(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056789	1	39	-2.0	-91.16	336.27	4.14	-87.02
O=C([O-])C1=CC(OC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)=CC=N1	REAL300020056790	0	41	-2.0	-102.27	366.19	5.02	-97.25
O=C([O-])C1=CC(OC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)=CC=N1	REAL300020056790	1	41	-2.0	-102.30	366.25	5.03	-97.27
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020056791	0	40	-2.0	-92.89	338.40	5.64	-87.25
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020056791	1	40	-2.0	-92.90	338.46	5.66	-87.24
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300020056792	0	40	-2.0	-92.75	358.94	5.35	-87.40
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300020056792	1	40	-2.0	-92.68	359.01	5.36	-87.32
C=CCCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056793	0	37	-2.0	-90.16	335.19	4.22	-85.94
C=CCCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056793	1	37	-2.0	-90.12	335.26	4.23	-85.89
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020056794	0	37	-2.0	-103.75	333.57	5.39	-98.36
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020056794	1	37	-2.0	-103.78	333.63	5.41	-98.37
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056795	0	37	-2.0	-88.94	344.17	5.20	-83.74
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056795	1	37	-2.0	-88.95	344.24	5.21	-83.74
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL300020056796	0	40	-2.0	-114.93	345.67	6.54	-108.39
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL300020056796	1	40	-2.0	-114.98	345.72	6.56	-108.42
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC2=CC=CC=C21	REAL300020056797	0	40	-2.0	-99.75	355.29	6.38	-93.37
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC2=CC=CC=C21	REAL300020056797	1	40	-2.0	-99.71	355.37	6.38	-93.33
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1OC(F)(F)F	REAL300020056798	0	38	-2.0	-111.66	348.27	4.36	-107.30
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1OC(F)(F)F	REAL300020056798	1	38	-2.0	-111.66	348.33	4.37	-107.29
O=C([O-])CCC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL300020056799	0	33	-2.0	-93.35	309.55	3.59	-89.76
O=C([O-])CCC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL300020056799	1	33	-2.0	-93.40	309.61	3.61	-89.79
O=C([O-])CCC1=CSC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020056800	0	33	-2.0	-85.07	320.12	3.40	-81.67
O=C([O-])CCC1=CSC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020056800	1	33	-2.0	-85.05	320.18	3.40	-81.65
O=C([O-])C1=CN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020056801	0	30	-2.0	-83.53	304.77	1.14	-82.39
O=C([O-])C1=CN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020056801	1	30	-2.0	-83.52	304.84	1.14	-82.38
CC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(=O)[O-]	REAL300020056802	0	36	-2.0	-81.45	306.95	2.90	-78.55
CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(=O)[O-]	REAL300020056802	1	36	-2.0	-81.41	307.01	2.92	-78.49
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020056803	0	37	-2.0	-92.26	327.33	5.37	-86.89
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020056803	1	37	-2.0	-92.28	327.39	5.38	-86.90
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1F	REAL300020056804	0	37	-2.0	-89.08	348.15	5.61	-83.47
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1F	REAL300020056804	1	37	-2.0	-89.03	348.22	5.62	-83.41
O=C([O-])C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020056805	0	37	-2.0	-91.44	327.17	5.34	-86.10
O=C([O-])C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020056805	1	37	-2.0	-91.47	327.23	5.36	-86.11
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1F	REAL300020056806	0	37	-2.0	-89.99	348.24	5.67	-84.32
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1F	REAL300020056806	1	37	-2.0	-90.02	348.30	5.68	-84.34
O=C([O-])C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020056807	0	37	-2.0	-99.85	337.84	5.71	-94.14
O=C([O-])C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020056807	1	37	-2.0	-99.87	337.90	5.72	-94.15
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1F	REAL300020056808	0	37	-2.0	-89.07	348.14	5.61	-83.46
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1F	REAL300020056808	1	37	-2.0	-89.04	348.20	5.62	-83.42
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300020056809	0	40	-2.0	-93.57	337.34	4.52	-89.05
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300020056809	1	40	-2.0	-93.56	337.41	4.53	-89.03
O=C([O-])CC1=CN=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020056810	0	30	-2.0	-84.64	301.23	3.25	-81.39
O=C([O-])CC1=CN=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020056810	1	30	-2.0	-84.61	301.29	3.25	-81.36
O=C(CCCC1=N[N-]N=N1)NC1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300020056811	0	37	-2.0	-93.57	328.95	4.62	-88.95
O=C(CCCC1=NN=N[N-]1)NC1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300020056811	1	37	-2.0	-93.62	329.00	4.63	-88.99
O=C([O-])C1CCC2=C(C1)N=C(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)S2	REAL300020056812	0	37	-2.0	-84.10	339.51	4.41	-79.69
O=C([O-])C1CCC2=C(C1)N=C(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)S2	REAL300020056812	1	37	-2.0	-84.10	339.57	4.43	-79.67
CC1=C(CC(=O)[O-])N=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL300020056813	0	33	-2.0	-97.12	307.36	3.41	-93.71
CC1=C(CC(=O)[O-])N=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL300020056813	1	33	-2.0	-97.12	307.42	3.43	-93.69
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020056814	0	33	-2.0	-87.67	317.92	3.22	-84.45
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020056814	1	33	-2.0	-87.60	317.98	3.22	-84.38
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1CC(=O)[O-]	REAL300020056815	0	37	-2.0	-86.71	317.89	4.85	-81.86
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1CC(=O)[O-]	REAL300020056815	1	37	-2.0	-86.69	317.95	4.86	-81.83
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020056816	0	38	-2.0	-99.47	331.96	4.25	-95.22
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020056816	1	38	-2.0	-99.48	332.01	4.26	-95.22
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056817	0	38	-2.0	-85.00	341.79	4.05	-80.95
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056817	1	38	-2.0	-85.06	341.73	4.04	-81.02
CC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056818	0	37	-2.0	-111.52	312.76	5.37	-106.15
CC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056818	1	37	-2.0	-111.52	312.82	5.39	-106.13
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056819	0	37	-2.0	-95.70	323.35	5.18	-90.52
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020056819	1	37	-2.0	-95.69	323.42	5.19	-90.50
O=C([O-])[C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020056820	0	45	-2.0	-97.66	358.55	4.95	-92.71
O=C([O-])[C@@H]1CCO[C@H]1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020056820	1	45	-2.0	-97.64	358.60	4.96	-92.68
O=C([O-])[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056821	0	45	-2.0	-92.18	365.10	5.15	-87.03
O=C([O-])[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056821	1	45	-2.0	-92.16	365.16	5.16	-87.00
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020056822	0	37	-2.0	-103.40	319.17	5.53	-97.87
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020056822	1	37	-2.0	-103.43	319.23	5.54	-97.89
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056823	0	37	-2.0	-86.32	329.82	5.33	-80.99
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056823	1	37	-2.0	-86.36	329.76	5.32	-81.04
CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C(=O)[O-])=C1	REAL300020056824	0	37	-2.0	-100.70	324.09	6.53	-94.17
CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C(=O)[O-])=C1	REAL300020056824	1	37	-2.0	-100.68	324.15	6.55	-94.13
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(C(=O)[O-])=C1	REAL300020056825	0	37	-2.0	-98.11	319.58	6.88	-91.23
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(C(=O)[O-])=C1	REAL300020056825	1	37	-2.0	-98.07	319.65	6.89	-91.18
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300020056826	0	33	-2.0	-90.46	313.87	2.04	-88.42
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300020056826	1	33	-2.0	-90.43	313.94	2.04	-88.39
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CN=C1	REAL300020056827	0	33	-2.0	-93.82	310.45	2.41	-91.41
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CN=C1	REAL300020056827	1	33	-2.0	-93.82	310.51	2.40	-91.42
CSC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020056828	0	35	-2.0	-119.88	317.44	4.79	-115.09
CSC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020056828	1	35	-2.0	-119.89	317.49	4.81	-115.08
CSC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300020056829	0	35	-2.0	-97.58	328.11	4.59	-92.99
CSC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300020056829	1	35	-2.0	-97.55	328.04	4.58	-92.97
O=C([O-])C1=CC=C2NC=C(C3CCN(C(=O)CCCC4=N[N-]N=N4)CC3)C2=C1	REAL300020056830	0	48	-2.0	-103.95	397.25	7.78	-96.17
O=C([O-])C1=CC=C2NC=C(C3CCN(C(=O)CCCC4=NN=N[N-]4)CC3)C2=C1	REAL300020056830	1	48	-2.0	-103.99	397.31	7.80	-96.19
CC1=NN(CC(=O)[O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056831	0	34	-2.0	-89.67	315.88	3.37	-86.30
CC1=NN(CC(=O)[O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056831	1	34	-2.0	-89.61	315.95	3.38	-86.23
O=C([O-])CN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056832	0	36	-2.0	-86.12	306.07	2.28	-83.84
O=C([O-])CN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056832	1	36	-2.0	-86.09	306.13	2.28	-83.81
O=C([O-])C(F)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056834	0	34	-2.0	-81.95	304.17	4.37	-77.58
O=C([O-])C(F)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056834	1	34	-2.0	-81.92	304.24	4.37	-77.55
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020056835	0	42	-2.0	-101.37	364.77	3.53	-97.84
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020056835	1	42	-2.0	-101.35	364.82	3.54	-97.81
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056836	0	42	-2.0	-86.95	376.25	3.31	-83.64
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056836	1	42	-2.0	-86.95	376.18	3.31	-83.64
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C(O)C1=CC=NC=C1	REAL300020056837	0	37	-2.0	-106.60	325.08	0.87	-105.73
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C(O)C1=CC=NC=C1	REAL300020056837	1	37	-2.0	-106.57	325.13	0.88	-105.69
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(O)C1=CC=NC=C1	REAL300020056838	0	37	-2.0	-88.13	334.48	0.04	-88.09
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(O)C1=CC=NC=C1	REAL300020056838	1	37	-2.0	-88.13	334.55	0.04	-88.09
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056839	0	34	-2.0	-97.24	316.17	5.06	-92.18
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056839	1	34	-2.0	-97.19	316.23	5.08	-92.11
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056840	0	35	-2.0	-99.87	297.76	5.84	-94.03
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056840	1	35	-2.0	-99.91	297.83	5.85	-94.06
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056841	0	37	-2.0	-85.74	307.42	5.02	-80.72
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056841	1	37	-2.0	-85.71	307.48	5.02	-80.69
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)C(C2CCCO2)C1	REAL300020056842	0	45	-2.0	-96.58	355.38	4.98	-91.60
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)C(C2CCCO2)C1	REAL300020056842	1	45	-2.0	-96.59	355.44	4.99	-91.60
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C2CCCO2)C1	REAL300020056843	0	45	-2.0	-89.25	358.78	5.27	-83.98
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C2CCCO2)C1	REAL300020056843	1	45	-2.0	-89.29	358.85	5.28	-84.01
O=C(CCCC1=N[N-]N=N1)NCC(C(=O)[O-])C1CCCCCC1	REAL300020056844	0	46	-2.0	-95.09	353.00	5.52	-89.57
O=C(CCCC1=NN=N[N-]1)NCC(C(=O)[O-])C1CCCCCC1	REAL300020056844	1	46	-2.0	-95.10	353.06	5.53	-89.57
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCCC1	REAL300020056845	0	46	-2.0	-90.14	363.61	5.30	-84.84
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCCC1	REAL300020056845	1	46	-2.0	-90.08	363.67	5.31	-84.77
CC(C)CC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056846	0	42	-2.0	-89.42	345.13	4.14	-85.28
CC(C)CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056846	1	42	-2.0	-89.44	345.20	4.13	-85.31
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H]2C[C@H]21	REAL300020056847	0	35	-2.0	-88.67	312.30	3.59	-85.08
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H]2C[C@H]21	REAL300020056847	1	35	-2.0	-88.63	312.37	3.61	-85.02
CC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300020056848	0	37	-2.0	-109.66	334.06	6.00	-103.66
CC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300020056848	1	37	-2.0	-109.67	334.12	6.01	-103.66
O=C([O-])CCC1(NC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL300020056849	0	43	-2.0	-109.80	336.14	5.70	-104.10
O=C([O-])CCC1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL300020056849	1	43	-2.0	-109.80	336.20	5.71	-104.09
O=C([O-])CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL300020056850	0	43	-2.0	-92.66	347.40	5.59	-87.07
O=C([O-])CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL300020056850	1	43	-2.0	-92.63	347.47	5.60	-87.03
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020056851	0	36	-2.0	-117.63	321.88	4.48	-113.15
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020056851	1	36	-2.0	-117.62	321.82	4.46	-113.16
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020056852	0	36	-2.0	-98.28	331.65	4.28	-94.00
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020056852	1	36	-2.0	-98.26	331.58	4.27	-93.99
O=C([O-])C1=CC=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL300020056853	0	37	-2.0	-106.32	320.42	4.53	-101.79
O=C([O-])C1=CC=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL300020056853	1	37	-2.0	-106.31	320.48	4.55	-101.76
O=C([O-])C1=CC=CC=C1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056854	0	37	-2.0	-94.10	330.71	4.34	-89.76
O=C([O-])C1=CC=CC=C1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056854	1	37	-2.0	-94.12	330.78	4.34	-89.78
CCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C(=O)[O-]	REAL300020056855	0	36	-2.0	-98.25	305.55	5.50	-92.75
CCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C(=O)[O-]	REAL300020056855	1	36	-2.0	-98.24	305.62	5.52	-92.72
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056856	0	39	-2.0	-90.45	324.19	3.85	-86.60
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056856	1	39	-2.0	-90.43	324.26	3.87	-86.56
O=C([O-])C1CC2=CC=CC=C2N(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020056857	0	38	-2.0	-90.33	317.58	6.46	-83.87
O=C([O-])C1CC2=CC=CC=C2N(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020056857	1	38	-2.0	-90.32	317.63	6.48	-83.84
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020056858	0	38	-2.0	-93.48	324.99	6.79	-86.69
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020056858	1	38	-2.0	-93.42	325.05	6.80	-86.62
CN1N=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300020056859	0	31	-2.0	-83.40	291.96	2.20	-81.20
CN1N=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300020056859	1	31	-2.0	-83.46	291.89	2.18	-81.28
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)CCCC1=N[N-]N=N1	REAL300020056860	0	41	-2.0	-92.80	340.65	7.51	-85.29
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)CCCC1=NN=N[N-]1	REAL300020056860	1	41	-2.0	-92.84	340.71	7.52	-85.32
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056861	0	41	-2.0	-99.18	348.00	8.01	-91.17
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056861	1	41	-2.0	-99.17	348.07	8.00	-91.17
CC(CN1C=NC2=CC=CC=C21)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020056862	0	43	-2.0	-113.67	354.84	6.33	-107.34
CC(CN1C=NC2=CC=CC=C21)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020056862	1	43	-2.0	-113.70	354.89	6.34	-107.36
CC(CN1C=NC2=CC=CC=C21)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020056863	0	43	-2.0	-94.86	365.30	5.96	-88.90
CC(CN1C=NC2=CC=CC=C21)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020056863	1	43	-2.0	-94.85	365.36	5.97	-88.88
CC1=C(C(=O)[O-])N=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL300020056864	0	33	-2.0	-99.87	310.86	1.76	-98.11
CC1=C(C(=O)[O-])N=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL300020056864	1	33	-2.0	-99.84	310.91	1.78	-98.06
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020056865	0	33	-2.0	-92.34	321.44	1.55	-90.79
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020056865	1	33	-2.0	-92.31	321.51	1.56	-90.75
COC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1O	REAL300020056866	0	39	-2.0	-108.03	344.60	1.57	-106.46
COC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1O	REAL300020056866	1	39	-2.0	-108.02	344.66	1.59	-106.43
COC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1O	REAL300020056867	0	39	-2.0	-95.00	355.79	1.33	-93.67
COC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1O	REAL300020056867	1	39	-2.0	-94.94	355.86	1.32	-93.62
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020056868	0	44	-2.0	-94.98	361.20	3.07	-91.91
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020056868	1	44	-2.0	-95.02	361.26	3.09	-91.93
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056869	0	44	-2.0	-93.35	371.61	2.90	-90.45
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056869	1	44	-2.0	-93.35	371.54	2.90	-90.45
O=C([O-])C1=CC=C(N2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)N=C1	REAL300020056870	0	45	-2.0	-95.10	368.09	5.37	-89.73
O=C([O-])C1=CC=C(N2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)N=C1	REAL300020056870	1	45	-2.0	-95.10	368.15	5.39	-89.71
O=C([O-])C1=CC=C(N2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)N=C1	REAL300020056871	0	45	-2.0	-88.26	371.67	6.39	-81.87
O=C([O-])C1=CC=C(N2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)N=C1	REAL300020056871	1	45	-2.0	-88.28	371.60	6.39	-81.89
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020056872	0	46	-2.0	-98.27	368.06	5.65	-92.62
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020056872	1	46	-2.0	-98.30	368.12	5.66	-92.64
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056873	0	46	-2.0	-85.83	380.21	6.12	-79.71
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056873	1	46	-2.0	-85.76	380.28	6.13	-79.63
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020056874	0	50	-2.0	-110.74	423.50	7.18	-103.56
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020056874	1	50	-2.0	-110.73	423.56	7.19	-103.54
CC1=CC(F)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020056875	0	34	-2.0	-109.28	307.05	4.68	-104.60
CC1=CC(F)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020056875	1	34	-2.0	-109.29	307.11	4.69	-104.60
CC1=CC(F)=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300020056876	0	34	-2.0	-88.39	312.94	4.37	-84.02
CC1=CC(F)=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300020056876	1	34	-2.0	-88.42	312.87	4.36	-84.06
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)(F)F	REAL300020056877	0	30	-2.0	-83.67	293.32	2.39	-81.28
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)(F)F	REAL300020056877	1	30	-2.0	-83.64	293.39	2.39	-81.25
CC(C1=CC=CC=N1)N(CC1=C(C(=O)[O-])OC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056878	0	46	-2.0	-99.58	385.86	7.55	-92.03
CC(C1=CC=CC=N1)N(CC1=C(C(=O)[O-])OC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056878	1	46	-2.0	-99.58	385.91	7.57	-92.01
CCCC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020056879	0	38	-2.0	-103.30	333.82	4.47	-98.83
CCCC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020056879	1	38	-2.0	-103.31	333.88	4.48	-98.83
CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C(OCC)=C1)C1=N[N-]N=N1	REAL300020056880	0	45	-2.0	-97.28	384.81	5.15	-92.13
CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C(OCC)=C1)C1=NN=N[N-]1	REAL300020056880	1	45	-2.0	-97.30	384.87	5.16	-92.14
CCCC(NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020056881	0	40	-2.0	-96.85	348.81	5.67	-91.18
CCCC(NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020056881	1	40	-2.0	-96.89	348.87	5.70	-91.19
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020056882	0	38	-2.0	-95.66	337.26	5.38	-90.28
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020056882	1	38	-2.0	-95.69	337.32	5.40	-90.29
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020056883	0	42	-2.0	-95.25	381.47	0.58	-94.67
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020056883	1	42	-2.0	-95.27	381.52	0.59	-94.68
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020056884	0	36	-2.0	-92.46	330.90	4.85	-87.61
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020056884	1	36	-2.0	-92.46	330.96	4.86	-87.60
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020056885	0	36	-2.0	-92.46	330.90	4.85	-87.61
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020056885	1	36	-2.0	-92.46	330.96	4.86	-87.60
CCCC(NC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1)C1=N[N-]N=N1	REAL300020056886	0	44	-2.0	-94.53	377.73	5.76	-88.77
CCCC(NC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1)C1=NN=N[N-]1	REAL300020056886	1	44	-2.0	-94.54	377.79	5.78	-88.76
CCCC(NC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=N[N-]N=N1	REAL300020056887	0	40	-2.0	-119.42	340.16	5.41	-114.01
CCCC(NC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=NN=N[N-]1	REAL300020056887	1	40	-2.0	-119.41	340.22	5.42	-113.99
CCCC(NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1)C1=N[N-]N=N1	REAL300020056888	0	44	-2.0	-94.16	377.84	6.02	-88.14
CCCC(NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1)C1=NN=N[N-]1	REAL300020056888	1	44	-2.0	-94.15	377.89	6.04	-88.11
CCCC(NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020056889	0	37	-2.0	-103.33	327.41	4.85	-98.48
CCCC(NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020056889	1	37	-2.0	-103.35	327.47	4.87	-98.48
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=N[N-]N=N1	REAL300020056890	0	34	-2.0	-93.73	307.26	4.27	-89.46
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=NN=N[N-]1	REAL300020056890	1	34	-2.0	-93.79	307.32	4.28	-89.51
CCCC(NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020056891	0	37	-2.0	-105.71	327.41	4.87	-100.84
CCCC(NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020056891	1	37	-2.0	-105.71	327.47	4.88	-100.83
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)C1=N[N-]N=N1	REAL300020056892	0	36	-2.0	-88.68	316.41	2.97	-85.71
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)C1=NN=N[N-]1	REAL300020056892	1	36	-2.0	-88.67	316.47	2.99	-85.68
CCCC(NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020056893	0	34	-2.0	-99.00	324.03	4.79	-94.21
CCCC(NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020056893	1	34	-2.0	-99.01	324.08	4.81	-94.20
CCCC(NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020056894	0	37	-2.0	-106.95	324.93	4.95	-102.00
CCCC(NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020056894	1	37	-2.0	-106.97	324.98	4.96	-102.01
CCCC(NC(=O)C1=C(CC(=O)[O-])OC=C1C)C1=N[N-]N=N1	REAL300020056895	0	37	-2.0	-121.75	332.03	3.71	-118.04
CCCC(NC(=O)C1=C(CC(=O)[O-])OC=C1C)C1=NN=N[N-]1	REAL300020056895	1	37	-2.0	-121.73	332.09	3.73	-118.00
CCCC(NC(=O)CC1CCC(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL300020056896	0	43	-2.0	-103.39	347.55	5.13	-98.26
CCCC(NC(=O)CC1CCC(C(=O)[O-])CC1)C1=NN=N[N-]1	REAL300020056896	1	43	-2.0	-103.42	347.60	5.14	-98.28
CCCC(NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=NN=N[N-]1	REAL300020056897	0	36	-2.0	-101.69	324.66	3.50	-98.19
CCCC(NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=N[N-]N=N1	REAL300020056897	1	36	-2.0	-101.70	324.60	3.49	-98.21
CCCC(NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020056898	0	41	-2.0	-115.71	354.89	4.89	-110.82
CCCC(NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020056898	1	41	-2.0	-115.73	354.95	4.91	-110.82
CCCC(NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=N[N-]N=N1	REAL300020056899	0	47	-2.0	-107.05	381.65	7.08	-99.97
CCCC(NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=NN=N[N-]1	REAL300020056899	1	47	-2.0	-107.03	381.70	7.10	-99.93
CCCC(NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=N[N-]N=N1	REAL300020056900	0	35	-2.0	-94.27	322.29	3.77	-90.50
CCCC(NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=NN=N[N-]1	REAL300020056900	1	35	-2.0	-94.27	322.35	3.79	-90.48
CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020056901	0	38	-2.0	-93.26	333.75	4.48	-88.78
CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020056901	1	38	-2.0	-93.20	333.80	4.50	-88.70
CCCC(NC(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020056902	0	37	-2.0	-97.52	324.92	4.96	-92.56
CCCC(NC(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020056902	1	37	-2.0	-97.52	324.98	4.97	-92.55
CCCC(NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020056903	0	38	-2.0	-94.11	334.82	5.49	-88.62
CCCC(NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020056903	1	38	-2.0	-94.11	334.87	5.50	-88.61
CCCC(NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=N[N-]N=N1	REAL300020056904	0	35	-2.0	-95.05	321.81	3.64	-91.41
CCCC(NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=NN=N[N-]1	REAL300020056904	1	35	-2.0	-95.08	321.87	3.66	-91.42
CCCC(NC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=NN=N[N-]1	REAL300020056905	0	37	-2.0	-119.68	335.58	-0.05	-119.73
CCCC(NC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=N[N-]N=N1	REAL300020056905	1	37	-2.0	-119.70	335.52	-0.08	-119.78
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020056906	0	35	-2.0	-94.75	323.35	4.00	-90.75
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020056906	1	35	-2.0	-94.75	323.40	4.01	-90.74
CCCC(NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020056907	0	37	-2.0	-107.57	318.73	4.74	-102.83
CCCC(NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020056907	1	37	-2.0	-107.62	318.79	4.75	-102.87
CCCC(NC(=O)C1=CC(C(=O)[O-])=CN=C1C)C1=N[N-]N=N1	REAL300020056908	0	36	-2.0	-89.90	314.18	3.04	-86.86
CCCC(NC(=O)C1=CC(C(=O)[O-])=CN=C1C)C1=NN=N[N-]1	REAL300020056908	1	36	-2.0	-89.93	314.24	3.05	-86.88
CCCC(NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300020056909	0	40	-2.0	-116.45	352.48	3.74	-112.71
CCCC(NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300020056909	1	40	-2.0	-116.44	352.43	3.72	-112.72
CCCC(NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=N[N-]N=N1	REAL300020056910	0	41	-2.0	-110.40	346.34	4.13	-106.27
CCCC(NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=NN=N[N-]1	REAL300020056910	1	41	-2.0	-110.35	346.40	4.15	-106.20
CCCC(NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=N[N-]N=N1	REAL300020056911	0	41	-2.0	-96.61	345.55	2.99	-93.62
CCCC(NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=NN=N[N-]1	REAL300020056911	1	41	-2.0	-96.62	345.60	3.00	-93.62
CCCC(NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300020056912	0	42	-2.0	-106.98	331.47	5.27	-101.71
CCCC(NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300020056912	1	42	-2.0	-106.96	331.53	5.28	-101.68
CCCC(NC(=O)CN1CCCC(C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020056913	1	42	-2.0	-118.03	336.89	1.87	-116.16
CCCC(NC(=O)CN1CCCC(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020056913	1	42	-2.0	-118.02	336.95	1.89	-116.13
CCCC(NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020056914	0	41	-2.0	-115.71	354.89	4.89	-110.82
CCCC(NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020056914	1	41	-2.0	-115.73	354.95	4.91	-110.82
CCCC(NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020056915	0	41	-2.0	-119.35	360.77	6.32	-113.03
CCCC(NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020056915	1	41	-2.0	-119.34	360.82	6.33	-113.01
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC=C1C)C1=N[N-]N=N1	REAL300020056916	0	37	-2.0	-96.28	318.76	4.86	-91.42
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC=C1C)C1=NN=N[N-]1	REAL300020056916	1	37	-2.0	-96.28	318.82	4.88	-91.40
CCCC(NC(=O)C1=CN=CC(C(=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020056917	0	36	-2.0	-95.06	308.41	2.96	-92.10
CCCC(NC(=O)C1=CN=CC(C(=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020056917	1	36	-2.0	-95.08	308.46	2.97	-92.11
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1C)C1=N[N-]N=N1	REAL300020056918	0	37	-2.0	-93.35	318.75	4.87	-88.48
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1C)C1=NN=N[N-]1	REAL300020056918	1	37	-2.0	-93.28	318.81	4.88	-88.40
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL300020056919	0	34	-2.0	-92.13	315.22	4.70	-87.43
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL300020056919	1	34	-2.0	-92.16	315.28	4.72	-87.44
CCCC(NC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=N[N-]N=N1	REAL300020056920	0	41	-2.0	-96.55	343.69	5.05	-91.50
CCCC(NC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=NN=N[N-]1	REAL300020056920	1	41	-2.0	-96.56	343.75	5.06	-91.50
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300020056921	0	37	-2.0	-96.97	330.59	1.79	-95.18
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300020056921	1	37	-2.0	-96.94	330.65	1.81	-95.13
CCCC(NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020056922	0	40	-2.0	-93.84	346.32	5.76	-88.08
CCCC(NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020056922	1	40	-2.0	-93.84	346.38	5.78	-88.06
CCCC(NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=N[N-]N=N1	REAL300020056923	0	38	-2.0	-114.14	332.34	5.37	-108.77
CCCC(NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=NN=N[N-]1	REAL300020056923	1	38	-2.0	-114.16	332.39	5.38	-108.78
CCCC(NC(=O)C1=C(C)SC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020056924	0	34	-2.0	-94.89	313.17	4.04	-90.85
CCCC(NC(=O)C1=C(C)SC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020056924	1	34	-2.0	-94.88	313.22	4.06	-90.82
CCCC(NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1=NN=N[N-]1	REAL300020056925	0	34	-2.0	-92.00	332.61	4.78	-87.22
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)[O-])=C1Cl)C1=N[N-]N=N1	REAL300020056926	0	38	-2.0	-100.96	340.45	3.87	-97.09
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)[O-])=C1Cl)C1=NN=N[N-]1	REAL300020056926	1	38	-2.0	-100.96	340.51	3.88	-97.08
CCCC(NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=N[N-]N=N1	REAL300020056927	0	37	-2.0	-112.01	337.91	5.46	-106.55
CCCC(NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=NN=N[N-]1	REAL300020056927	1	37	-2.0	-112.03	337.97	5.47	-106.56
CCCC(NC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=N[N-]N=N1	REAL300020056928	0	39	-2.0	-105.24	336.31	3.64	-101.60
CCCC(NC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=NN=N[N-]1	REAL300020056928	1	39	-2.0	-105.23	336.36	3.66	-101.57
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020056929	0	38	-2.0	-95.66	337.26	5.38	-90.28
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020056929	1	38	-2.0	-95.69	337.32	5.40	-90.29
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=N[N-]N=N1	REAL300020056930	0	35	-2.0	-95.74	327.91	3.21	-92.53
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=NN=N[N-]1	REAL300020056930	1	35	-2.0	-95.70	327.97	3.22	-92.48
CCCC(NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=N[N-]N=N1	REAL300020056931	0	35	-2.0	-91.34	328.10	3.34	-88.00
CCCC(NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=NN=N[N-]1	REAL300020056931	1	35	-2.0	-91.34	328.15	3.36	-87.98
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=N[N-]N=N1	REAL300020056932	0	35	-2.0	-94.10	319.26	2.35	-91.75
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=NN=N[N-]1	REAL300020056932	1	35	-2.0	-94.09	319.32	2.36	-91.73
CCCC(NC(=O)C1=CC=CC(C(=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020056933	0	37	-2.0	-102.11	312.89	4.75	-97.36
CCCC(NC(=O)C1=CC=CC(C(=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020056933	1	37	-2.0	-102.07	312.95	4.76	-97.31
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=N[N-]N=N1	REAL300020056934	0	37	-2.0	-97.50	333.04	3.60	-93.90
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=NN=N[N-]1	REAL300020056934	1	37	-2.0	-97.51	333.09	3.62	-93.89
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300020056935	0	39	-2.0	-136.31	322.94	2.58	-133.73
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300020056935	1	39	-2.0	-136.28	323.02	2.59	-133.69
CCCC(NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=NN=N[N-]1	REAL300020056936	0	40	-2.0	-97.14	338.80	6.27	-90.87
CCCC(NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=N[N-]N=N1	REAL300020056936	1	40	-2.0	-97.13	338.74	6.26	-90.87
CCCC(NC(=O)CC1=CC=C(C(=O)[O-])C=C1C)C1=N[N-]N=N1	REAL300020056937	0	40	-2.0	-106.62	344.11	5.33	-101.29
CCCC(NC(=O)CC1=CC=C(C(=O)[O-])C=C1C)C1=NN=N[N-]1	REAL300020056937	1	40	-2.0	-106.60	344.17	5.34	-101.26
CCCC(NC(=O)CC1=CC(C(=O)[O-])=CS1)C1=N[N-]N=N1	REAL300020056938	0	34	-2.0	-102.76	318.96	4.00	-98.76
CCCC(NC(=O)CC1=CC(C(=O)[O-])=CS1)C1=NN=N[N-]1	REAL300020056938	1	34	-2.0	-102.80	319.01	4.02	-98.78
CCCC(NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=N[N-]N=N1	REAL300020056939	0	37	-2.0	-108.57	331.96	4.89	-103.68
CCCC(NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=NN=N[N-]1	REAL300020056939	1	37	-2.0	-108.58	332.01	4.90	-103.68
CCCC(NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=N[N-]N=N1	REAL300020056940	0	41	-2.0	-93.91	351.74	5.72	-88.19
CCCC(NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=NN=N[N-]1	REAL300020056940	1	41	-2.0	-93.90	351.80	5.73	-88.17
O=C([O-])C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020056941	0	46	-2.0	-93.38	392.09	6.31	-87.07
O=C([O-])C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020056941	1	46	-2.0	-93.40	392.15	6.32	-87.08
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020056942	0	39	-2.0	-90.10	340.53	5.41	-84.69
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020056942	1	39	-2.0	-90.08	340.59	5.42	-84.66
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056943	0	39	-2.0	-95.19	347.11	6.13	-89.06
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056943	1	39	-2.0	-95.15	347.18	6.13	-89.02
CCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C(=O)[O-]	REAL300020056944	0	36	-2.0	-98.25	305.55	5.50	-92.75
CCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C(=O)[O-]	REAL300020056944	1	36	-2.0	-98.24	305.62	5.52	-92.72
O=C([O-])C1=CC=C(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)N=C1	REAL300020056945	0	42	-2.0	-95.51	351.33	4.53	-90.98
O=C([O-])C1=CC=C(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)N=C1	REAL300020056945	1	42	-2.0	-95.53	351.39	4.54	-90.99
O=C([O-])C1=CC=C(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)N=C1	REAL300020056946	0	42	-2.0	-84.73	359.12	4.78	-79.95
O=C([O-])C1=CC=C(N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)N=C1	REAL300020056946	1	42	-2.0	-84.73	359.05	4.79	-79.94
O=C([O-])C1=NNC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300020056947	0	35	-2.0	-98.45	303.66	2.71	-95.74
O=C([O-])C1=NNC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300020056947	1	35	-2.0	-98.44	303.72	2.73	-95.71
O=C([O-])C1=NNC2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020056948	0	35	-2.0	-105.47	311.02	2.98	-102.49
O=C([O-])C1=NNC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020056948	1	35	-2.0	-105.44	311.09	2.98	-102.46
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL300020056949	0	33	-2.0	-85.13	313.31	1.98	-83.15
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL300020056949	1	33	-2.0	-85.11	313.37	1.98	-83.13
CC(C)OC1=C(NC(=O)CCCC2=N[N-]N=N2)C=CC=C1C(=O)[O-]	REAL300020056950	0	41	-2.0	-97.12	343.64	6.14	-90.98
CC(C)OC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CC=C1C(=O)[O-]	REAL300020056950	1	41	-2.0	-97.16	343.69	6.15	-91.01
CC(C)OC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CC=C1C(=O)[O-]	REAL300020056951	0	41	-2.0	-88.15	353.13	5.64	-82.51
CC(C)OC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CC=C1C(=O)[O-]	REAL300020056951	1	41	-2.0	-88.13	353.03	5.62	-82.51
O=C([O-])CN1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300020056952	0	48	-2.0	-100.06	387.65	2.94	-97.12
O=C([O-])CN1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300020056952	1	48	-2.0	-100.08	387.70	2.96	-97.12
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=C(O)C=C1	REAL300020056953	0	41	-2.0	-93.70	349.43	2.79	-90.91
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=C(O)C=C1	REAL300020056953	1	41	-2.0	-93.68	349.48	2.81	-90.87
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=C(O)C=C1	REAL300020056954	0	41	-2.0	-93.54	369.96	2.50	-91.04
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=C(O)C=C1	REAL300020056954	1	41	-2.0	-93.55	370.03	2.51	-91.04
O=C([O-])C1=CC=C2NC(CNC(=O)CCCC3=N[N-]N=N3)=NC2=C1	REAL300020056955	0	37	-2.0	-99.77	333.79	2.73	-97.04
O=C([O-])C1=CC=C2NC(CNC(=O)CCCC3=NN=N[N-]3)=NC2=C1	REAL300020056955	1	37	-2.0	-99.81	333.84	2.75	-97.06
O=C([O-])C1=CC=C2NC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=NC2=C1	REAL300020056956	0	37	-2.0	-93.30	344.38	2.53	-90.77
O=C([O-])C1=CC=C2NC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=NC2=C1	REAL300020056956	1	37	-2.0	-93.22	344.45	2.53	-90.69
O=C([O-])C(CC1=CC=NC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020056957	0	36	-2.0	-104.83	322.28	3.56	-101.27
O=C([O-])C(CC1=CC=NC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020056957	1	36	-2.0	-104.88	322.34	3.57	-101.31
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056958	0	36	-2.0	-89.85	332.94	3.37	-86.48
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056958	1	36	-2.0	-89.89	333.00	3.36	-86.53
O=C([O-])CN1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020056959	0	39	-2.0	-91.43	319.64	3.82	-87.61
O=C([O-])CN1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020056959	1	39	-2.0	-91.40	319.70	3.82	-87.58
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)CCCC1=N[N-]N=N1	REAL300020056960	0	38	-2.0	-97.15	348.05	4.72	-92.43
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)CCCC1=NN=N[N-]1	REAL300020056960	1	38	-2.0	-97.14	348.10	4.73	-92.41
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056961	0	38	-2.0	-98.31	353.93	5.26	-93.05
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056961	1	38	-2.0	-98.30	354.00	5.26	-93.04
O=C([O-])C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020056962	0	46	-2.0	-96.25	392.30	6.42	-89.83
O=C([O-])C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020056962	1	46	-2.0	-96.24	392.36	6.43	-89.81
O=C([O-])CN(CCN1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL300020056963	0	43	-2.0	-95.17	355.32	2.33	-92.84
O=C([O-])CN(CCN1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL300020056963	1	43	-2.0	-95.18	355.38	2.35	-92.83
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056964	0	43	-2.0	-95.22	361.05	2.88	-92.34
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056964	1	43	-2.0	-95.20	361.12	2.88	-92.32
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL300020056965	0	35	-2.0	-110.17	315.97	1.53	-108.64
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL300020056965	1	35	-2.0	-110.17	316.03	1.54	-108.63
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(O)=C1	REAL300020056966	0	35	-2.0	-94.59	326.59	1.33	-93.26
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(O)=C1	REAL300020056966	1	35	-2.0	-94.62	326.65	1.33	-93.29
O=C([O-])C(CC1=CC=NC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020056967	0	36	-2.0	-104.83	322.28	3.56	-101.27
O=C([O-])C(CC1=CC=NC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020056967	1	36	-2.0	-104.88	322.34	3.57	-101.31
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056968	0	36	-2.0	-89.85	332.94	3.37	-86.48
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056968	1	36	-2.0	-89.89	333.00	3.36	-86.53
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020056969	0	39	-2.0	-119.16	335.17	3.85	-115.31
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020056969	1	39	-2.0	-119.19	335.23	3.86	-115.33
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020056970	0	39	-2.0	-96.97	345.81	3.64	-93.33
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020056970	1	39	-2.0	-97.02	345.75	3.63	-93.39
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1O	REAL300020056971	0	32	-2.0	-97.49	301.20	1.75	-95.74
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1O	REAL300020056971	1	32	-2.0	-97.44	301.27	1.76	-95.68
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020056972	0	32	-2.0	-100.82	294.69	5.47	-95.35
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020056972	1	32	-2.0	-100.78	294.75	5.46	-95.32
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020056973	0	36	-2.0	-114.45	325.78	5.75	-108.70
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020056973	1	36	-2.0	-114.40	325.84	5.74	-108.66
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020056974	0	32	-2.0	-118.68	294.98	5.46	-113.22
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020056974	1	32	-2.0	-118.63	295.05	5.45	-113.18
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020056975	0	29	-2.0	-95.38	289.26	4.63	-90.75
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020056975	1	29	-2.0	-95.36	289.33	4.62	-90.74
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL300020056976	0	31	-2.0	-96.86	292.88	3.74	-93.12
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL300020056976	1	31	-2.0	-96.88	292.82	3.75	-93.13
CC(SC1=CC=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020056977	0	39	-2.0	-128.12	347.28	7.22	-120.90
CC(SC1=CC=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020056977	1	39	-2.0	-128.07	347.34	7.21	-120.86
CCOC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1OCC(=O)[O-]	REAL300020056978	0	43	-2.0	-104.86	377.05	6.41	-98.45
CCOC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1OCC(=O)[O-]	REAL300020056978	1	43	-2.0	-104.86	377.12	6.40	-98.46
O=C([O-])C1=CC=C(CCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020056979	0	38	-2.0	-104.61	340.77	6.96	-97.65
O=C([O-])C1=CC=C(CCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020056979	1	38	-2.0	-104.50	340.84	6.95	-97.55
O=C([O-])C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=N1	REAL300020056980	0	31	-2.0	-96.50	290.86	3.70	-92.80
O=C([O-])C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=N1	REAL300020056980	1	31	-2.0	-96.56	290.80	3.71	-92.85
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020056981	0	36	-2.0	-103.73	329.20	6.66	-97.07
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020056981	1	36	-2.0	-103.70	329.26	6.66	-97.04
O=C([O-])C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1	REAL300020056982	0	34	-2.0	-90.14	323.14	6.13	-84.01
O=C([O-])C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1	REAL300020056982	1	34	-2.0	-90.13	323.21	6.11	-84.02
O=C([O-])C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1	REAL300020056983	0	34	-2.0	-90.14	323.14	6.13	-84.01
O=C([O-])C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1	REAL300020056983	1	34	-2.0	-90.13	323.21	6.11	-84.02
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020056984	0	42	-2.0	-102.21	369.69	7.02	-95.19
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020056984	1	42	-2.0	-102.17	369.76	7.02	-95.15
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020056985	0	39	-2.0	-97.34	353.87	6.49	-90.85
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020056985	1	39	-2.0	-97.38	353.80	6.49	-90.89
O=C([O-])C1=CC=CC=C1CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020056986	0	38	-2.0	-119.87	332.06	6.68	-113.19
O=C([O-])C1=CC=CC=C1CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020056986	1	38	-2.0	-119.86	332.13	6.68	-113.18
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC(C)=C1OCC(=O)[O-]	REAL300020056987	0	42	-2.0	-101.73	367.47	7.20	-94.53
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC(C)=C1OCC(=O)[O-]	REAL300020056987	1	42	-2.0	-101.69	367.54	7.19	-94.50
O=C([O-])C1=CC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1	REAL300020056988	0	35	-2.0	-99.12	319.66	6.13	-92.99
O=C([O-])C1=CC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1	REAL300020056988	1	35	-2.0	-99.06	319.72	6.12	-92.94
O=C([O-])C1CCCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300020056989	0	38	-2.0	-124.73	314.35	5.53	-119.20
O=C([O-])C1CCCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300020056989	1	38	-2.0	-124.65	314.42	5.53	-119.12
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020056990	0	31	-2.0	-100.21	290.92	3.67	-96.54
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020056990	1	31	-2.0	-100.26	290.85	3.68	-96.58
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=C1	REAL300020056991	0	31	-2.0	-92.54	292.16	3.73	-88.81
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=C1	REAL300020056991	1	31	-2.0	-92.57	292.09	3.74	-88.83
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020056992	0	37	-2.0	-108.72	304.13	4.89	-103.83
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020056992	1	37	-2.0	-108.67	304.19	4.88	-103.79
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300020056993	0	32	-2.0	-102.80	299.50	5.53	-97.27
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300020056993	1	32	-2.0	-102.74	299.56	5.52	-97.22
O=C([O-])C1=CN=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020056994	0	30	-2.0	-94.06	288.02	1.87	-92.19
O=C([O-])C1=CN=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020056994	1	30	-2.0	-94.08	287.95	1.87	-92.21
O=C([O-])[C@H]1CC[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300020056995	0	38	-2.0	-103.33	320.64	5.70	-97.63
O=C([O-])[C@H]1CC[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300020056995	1	38	-2.0	-103.27	320.70	5.69	-97.58
O=C([O-])C1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300020056996	0	38	-2.0	-120.30	314.53	5.56	-114.74
O=C([O-])C1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300020056996	1	38	-2.0	-120.28	314.59	5.55	-114.73
O=C([O-])C1=CC=C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020056997	0	35	-2.0	-119.30	319.64	6.14	-113.16
O=C([O-])C1=CC=C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020056997	1	35	-2.0	-119.26	319.70	6.14	-113.12
O=C([O-])C1=CN(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=N1	REAL300020056998	0	31	-2.0	-124.31	296.86	2.12	-122.19
O=C([O-])C1=CN(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=N1	REAL300020056998	1	31	-2.0	-124.39	296.79	2.13	-122.26
CC1=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1C(=O)[O-]	REAL300020056999	0	34	-2.0	-92.86	308.70	4.25	-88.61
CC1=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1C(=O)[O-]	REAL300020056999	1	34	-2.0	-92.83	308.76	4.24	-88.59
O=C([O-])C1=CC(Br)=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020057000	0	32	-2.0	-109.42	316.27	6.06	-103.36
O=C([O-])C1=CC(Br)=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020057000	1	32	-2.0	-109.38	316.33	6.05	-103.33
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020057001	0	32	-2.0	-100.82	294.69	5.47	-95.35
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020057001	1	32	-2.0	-100.78	294.75	5.46	-95.32
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300020057002	0	35	-2.0	-116.32	302.06	5.05	-111.27
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300020057002	1	35	-2.0	-97.00	302.12	5.05	-91.95
O=C([O-])CC1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020057003	0	35	-2.0	-112.10	317.17	6.23	-105.87
O=C([O-])CC1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020057003	1	35	-2.0	-112.06	317.23	6.22	-105.84
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057004	0	42	-2.0	-123.71	360.74	8.82	-114.89
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057004	1	42	-2.0	-123.72	360.82	8.81	-114.91
O=C([O-])CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=CO1	REAL300020057005	0	32	-2.0	-126.63	297.15	4.39	-122.24
O=C([O-])CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CO1	REAL300020057005	1	32	-2.0	-126.64	297.22	4.39	-122.25
O=C([O-])C1=CC=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020057006	0	31	-2.0	-107.78	292.63	3.74	-104.04
O=C([O-])C1=CC=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020057006	1	31	-2.0	-107.83	292.57	3.75	-104.08
O=C([O-])C1CCC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300020057007	0	41	-2.0	-103.20	332.82	6.20	-97.00
O=C([O-])C1CCC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300020057007	1	41	-2.0	-103.24	332.89	6.19	-97.05
O=C([O-])C12CCC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)(CC1)C2	REAL300020057008	0	39	-2.0	-113.35	328.94	5.85	-107.50
O=C([O-])C12CCC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)(CC1)C2	REAL300020057008	1	39	-2.0	-113.21	328.73	5.85	-107.36
O=C([O-])C12CCC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)(CC1)CC2	REAL300020057009	0	42	-2.0	-101.81	338.30	6.36	-95.45
O=C([O-])C12CCC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)(CC1)CC2	REAL300020057009	1	42	-2.0	-101.83	338.36	6.35	-95.48
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057010	0	37	-2.0	-108.72	304.13	4.89	-103.83
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057010	1	37	-2.0	-108.67	304.19	4.88	-103.79
O=C([O-])C1=C2N=CC=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)N2N=C1	REAL300020057011	0	34	-2.0	-101.71	316.63	4.78	-96.93
O=C([O-])C1=C2N=CC=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)N2N=C1	REAL300020057011	1	34	-2.0	-101.73	316.57	4.78	-96.95
O=C([O-])CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)NC2=CC=CC=C21	REAL300020057012	0	39	-2.0	-133.31	346.85	6.19	-127.12
O=C([O-])CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)NC2=CC=CC=C21	REAL300020057012	1	39	-2.0	-133.26	346.91	6.18	-127.08
O=C([O-])C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCC1	REAL300020057013	0	35	-2.0	-107.02	299.16	5.06	-101.96
O=C([O-])C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300020057013	1	35	-2.0	-106.98	299.23	5.05	-101.93
O=C([O-])C1=CC=C2CCCC(CC(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C2=C1	REAL300020057014	0	45	-2.0	-105.71	373.30	8.39	-97.32
O=C([O-])C1=CC=C2CCCC(CC(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C2=C1	REAL300020057014	1	45	-2.0	-105.64	373.36	8.38	-97.26
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C(C(=O)[O-])O1	REAL300020057015	0	32	-2.0	-95.64	297.85	4.63	-91.01
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C(C(=O)[O-])O1	REAL300020057015	1	32	-2.0	-95.60	297.91	4.62	-90.98
CC1=C(C(=O)[O-])OC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020057016	0	32	-2.0	-93.86	299.32	4.44	-89.42
CC1=C(C(=O)[O-])OC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020057016	1	32	-2.0	-93.90	299.38	4.43	-89.47
O=C([O-])C1=CN(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=C1	REAL300020057017	0	32	-2.0	-119.34	301.48	3.61	-115.73
O=C([O-])C1=CN(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=C1	REAL300020057017	1	32	-2.0	-119.37	301.42	3.62	-115.75
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300020057018	0	33	-2.0	-96.28	314.52	5.04	-91.24
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300020057018	1	33	-2.0	-96.23	314.58	5.03	-91.20
O=C([O-])C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC2(CCC2)C1	REAL300020057019	0	39	-2.0	-104.35	326.36	6.14	-98.21
O=C([O-])C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC2(CCC2)C1	REAL300020057019	1	39	-2.0	-104.31	326.43	6.13	-98.18
O=C([O-])COC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020057020	0	36	-2.0	-101.08	325.70	5.75	-95.33
O=C([O-])COC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020057020	1	36	-2.0	-101.08	325.77	5.74	-95.34
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300020057021	0	41	-2.0	-121.57	363.32	6.04	-115.53
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300020057021	1	41	-2.0	-121.51	363.38	6.03	-115.48
O=C([O-])CSCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057022	0	32	-2.0	-102.29	304.54	4.66	-97.63
O=C([O-])CSCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057022	1	32	-2.0	-102.22	304.60	4.66	-97.56
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=C1	REAL300020057023	0	31	-2.0	-92.54	292.16	3.73	-88.81
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=C1	REAL300020057023	1	31	-2.0	-92.57	292.09	3.74	-88.83
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057024	0	32	-2.0	-110.22	295.63	3.30	-106.92
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057024	1	32	-2.0	-110.30	295.57	3.31	-106.99
C[C@@H]1C[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O[C@H]1C(=O)[O-]	REAL300020057025	0	36	-2.0	-116.30	316.93	4.90	-111.40
C[C@@H]1C[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O[C@H]1C(=O)[O-]	REAL300020057025	1	36	-2.0	-116.22	317.00	4.89	-111.33
CC(C)(CCC(=O)[O-])C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057026	0	37	-2.0	-116.10	312.98	5.00	-111.10
CC(C)(CCC(=O)[O-])C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057026	1	37	-2.0	-116.02	313.05	4.99	-111.03
O=C([O-])CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020057027	0	35	-2.0	-102.93	316.88	6.25	-96.68
O=C([O-])CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020057027	1	35	-2.0	-102.87	316.95	6.24	-96.63
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020057028	0	36	-2.0	-101.37	327.05	6.76	-94.61
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020057028	1	36	-2.0	-101.35	327.12	6.75	-94.60
O=C([O-])C1=COC(C=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020057029	0	33	-2.0	-103.26	313.75	4.93	-98.33
O=C([O-])C1=COC(C=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020057029	1	33	-2.0	-103.22	313.81	4.92	-98.30
O=C([O-])CCC1=CC=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057030	0	38	-2.0	-136.15	329.91	7.02	-129.13
O=C([O-])CCC1=CC=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057030	1	38	-2.0	-136.13	329.98	7.01	-129.12
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300020057031	0	33	-2.0	-98.59	315.28	5.28	-93.31
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300020057031	1	33	-2.0	-98.59	315.34	5.28	-93.31
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300020057032	0	35	-2.0	-116.32	302.06	5.05	-111.27
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300020057032	1	35	-2.0	-97.00	302.12	5.05	-91.95
CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1C(=O)[O-]	REAL300020057033	0	35	-2.0	-97.10	314.12	6.10	-91.00
CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1C(=O)[O-]	REAL300020057033	1	35	-2.0	-97.10	314.19	6.09	-91.01
O=C([O-])C1=CN=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020057034	0	31	-2.0	-108.28	289.94	3.67	-104.61
O=C([O-])C1=CN=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020057034	1	31	-2.0	-108.27	289.87	3.68	-104.59
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057035	0	34	-2.0	-90.78	305.97	4.34	-86.44
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057035	1	34	-2.0	-90.69	306.04	4.33	-86.36
O=C([O-])C1=NN(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020057036	0	32	-2.0	-143.26	301.12	3.62	-139.64
O=C([O-])C1=NN(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020057036	1	32	-2.0	-143.26	301.05	3.63	-139.63
O=C([O-])C1=NN(CCCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020057037	0	38	-2.0	-135.19	344.72	4.99	-130.20
O=C([O-])C1=NN(CCCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020057037	1	38	-2.0	-135.26	344.66	5.00	-130.26
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300020057038	0	39	-2.0	-120.77	338.52	5.34	-115.43
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300020057038	1	39	-2.0	-120.78	338.59	5.33	-115.45
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300020057039	0	39	-2.0	-107.22	337.65	4.28	-102.94
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300020057039	1	39	-2.0	-107.27	337.71	4.27	-103.00
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)OC(C(=O)[O-])=C1	REAL300020057040	0	32	-2.0	-92.68	298.92	4.55	-88.13
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)OC(C(=O)[O-])=C1	REAL300020057040	1	32	-2.0	-93.24	299.27	4.53	-88.71
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057041	0	40	-2.0	-107.85	326.33	6.52	-101.33
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057041	1	40	-2.0	-108.10	326.48	6.51	-101.59
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057042	0	38	-2.0	-119.68	308.60	6.10	-113.58
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057042	1	38	-2.0	-119.60	308.66	6.09	-113.51
O=C([O-])C1CCCN(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300020057043	0	40	-2.0	-103.56	333.89	3.51	-100.05
O=C([O-])C1CCCN(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300020057043	1	40	-2.0	-103.54	333.95	3.50	-100.04
O=C([O-])C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1C1=CC=CC=C1	REAL300020057044	0	39	-2.0	-97.63	334.52	7.27	-90.36
O=C([O-])C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1C1=CC=CC=C1	REAL300020057044	1	39	-2.0	-97.57	334.58	7.26	-90.31
O=C([O-])CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)NC2=CC=CC=C21	REAL300020057045	0	39	-2.0	-133.31	346.85	6.19	-127.12
O=C([O-])CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)NC2=CC=CC=C21	REAL300020057045	1	39	-2.0	-133.26	346.91	6.18	-127.08
O=C([O-])C1=CN(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C2=CC=CC=C12	REAL300020057046	0	39	-2.0	-132.46	352.99	7.59	-124.87
O=C([O-])C1=CN(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C2=CC=CC=C12	REAL300020057046	1	39	-2.0	-132.41	353.05	7.59	-124.82
O=C([O-])C1CC12CC(C(=O)NC1=CC=CC(C3=N[N-]N=N3)=C1)C2	REAL300020057047	0	36	-2.0	-97.36	317.39	5.82	-91.54
O=C([O-])C1CC12CC(C(=O)NC1=CC=CC(C3=NN=N[N-]3)=C1)C2	REAL300020057047	1	36	-2.0	-97.34	317.46	5.81	-91.53
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057048	0	38	-2.0	-133.71	330.79	6.10	-127.61
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057048	1	38	-2.0	-138.03	323.39	6.51	-131.52
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057049	0	35	-2.0	-95.94	310.75	6.14	-89.80
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057049	1	35	-2.0	-95.91	310.82	6.13	-89.78
CC1(C(=O)[O-])CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300020057050	0	35	-2.0	-99.52	304.14	4.88	-94.64
CC1(C(=O)[O-])CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300020057050	1	35	-2.0	-99.45	304.21	4.87	-94.58
O=C([O-])C1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=CS1	REAL300020057051	0	29	-2.0	-130.04	282.07	5.32	-124.72
O=C([O-])C1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=CS1	REAL300020057051	1	29	-2.0	-130.03	282.14	5.32	-124.71
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057052	0	34	-2.0	-103.71	300.52	4.24	-99.47
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057052	1	34	-2.0	-103.65	300.58	4.23	-99.42
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057053	0	35	-2.0	-99.60	310.52	6.15	-93.45
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057053	1	35	-2.0	-99.51	310.58	6.15	-93.36
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020057054	0	32	-2.0	-100.34	307.46	5.96	-94.38
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020057054	1	32	-2.0	-100.30	307.52	5.95	-94.35
O=C([O-])C1CC2(C1)CC(C(=O)NC1=CC=CC(C3=N[N-]N=N3)=C1)C2	REAL300020057055	0	39	-2.0	-105.37	335.93	6.33	-99.04
O=C([O-])C1CC2(C1)CC(C(=O)NC1=CC=CC(C3=NN=N[N-]3)=C1)C2	REAL300020057055	1	39	-2.0	-105.34	335.99	6.32	-99.02
COC1=CC(C(=O)[O-])=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020057056	0	35	-2.0	-95.61	322.88	3.04	-92.57
COC1=CC(C(=O)[O-])=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020057056	1	35	-2.0	-95.68	322.82	3.06	-92.62
CN1C(C(=O)[O-])=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057057	0	33	-2.0	-86.68	295.00	4.86	-81.82
CN1C(C(=O)[O-])=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057057	1	33	-2.0	-86.58	295.07	4.85	-81.73
O=C([O-])CCC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020057058	0	38	-2.0	-101.16	338.28	7.05	-94.11
O=C([O-])CCC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020057058	1	38	-2.0	-101.12	338.34	7.04	-94.08
CC1=C(C(=O)[O-])C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NN1	REAL300020057059	0	32	-2.0	-127.19	292.87	3.31	-123.88
CC1=C(C(=O)[O-])C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=NN1	REAL300020057059	1	32	-2.0	-127.15	292.93	3.30	-123.85
O=C([O-])CC1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300020057060	0	35	-2.0	-97.85	305.59	5.22	-92.63
O=C([O-])CC1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300020057060	1	35	-2.0	-97.79	305.64	5.21	-92.58
O=C([O-])C1=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CS1	REAL300020057061	0	28	-2.0	-93.70	284.71	2.60	-91.10
O=C([O-])C1=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CS1	REAL300020057061	1	28	-2.0	-93.70	284.64	2.61	-91.09
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C(C(=O)[O-])S1	REAL300020057062	0	32	-2.0	-95.08	303.96	5.33	-89.75
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C(C(=O)[O-])S1	REAL300020057062	1	32	-2.0	-94.99	304.02	5.32	-89.67
O=C([O-])C1=CC2=C(S1)SC(C(=O)NC1=CC=CC(C3=NN=N[N-]3)=C1)=C2	REAL300020057063	0	32	-2.0	-100.31	324.85	6.04	-94.27
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020057064	0	36	-2.0	-111.12	332.69	5.13	-105.99
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020057064	1	36	-2.0	-111.08	332.76	5.13	-105.95
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057065	0	35	-2.0	-102.01	321.94	5.86	-96.15
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057065	1	35	-2.0	-101.95	322.01	5.85	-96.10
O=C([O-])C1=C2C=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)SC2=CC=C1	REAL300020057066	0	35	-2.0	-122.20	329.86	6.76	-115.44
O=C([O-])C1=C2C=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)SC2=CC=C1	REAL300020057066	1	35	-2.0	-122.10	329.92	6.75	-115.35
O=C([O-])C1=NC=CC=C1CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057067	0	37	-2.0	-124.22	328.54	4.91	-119.31
O=C([O-])C1=NC=CC=C1CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057067	1	37	-2.0	-124.24	328.47	4.92	-119.32
O=C([O-])C12CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)(C1)OC2	REAL300020057068	0	34	-2.0	-99.14	305.54	2.96	-96.18
O=C([O-])C12CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)(C1)OC2	REAL300020057068	1	34	-2.0	-99.12	305.61	2.95	-96.17
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057069	0	36	-2.0	-103.73	329.20	6.66	-97.07
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057069	1	36	-2.0	-103.70	329.26	6.66	-97.04
O=C([O-])C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC2(CCC2)C1	REAL300020057070	0	39	-2.0	-104.35	326.36	6.14	-98.21
O=C([O-])C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC2(CCC2)C1	REAL300020057070	1	39	-2.0	-104.31	326.43	6.13	-98.18
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057071	0	32	-2.0	-100.78	296.58	3.78	-97.00
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057071	1	32	-2.0	-100.76	296.64	3.78	-96.98
O=C([O-])C1=CSC2=C1NC(C(=O)NC1=CC=CC(C3=N[N-]N=N3)=C1)=C2	REAL300020057072	0	33	-2.0	-97.19	320.15	4.48	-92.71
O=C([O-])C1=CSC2=C1NC(C(=O)NC1=CC=CC(C3=NN=N[N-]3)=C1)=C2	REAL300020057072	1	33	-2.0	-97.13	320.21	4.48	-92.65
O=C([O-])C1=CC2=C(C=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)N2)S1	REAL300020057073	0	33	-2.0	-98.74	320.33	4.62	-94.12
O=C([O-])C1=CC2=C(C=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)N2)S1	REAL300020057073	1	33	-2.0	-98.73	320.40	4.61	-94.12
O=C([O-])C1=COC2=C1NC(C(=O)NC1=CC=CC(C3=N[N-]N=N3)=C1)=C2	REAL300020057074	0	33	-2.0	-96.92	311.51	3.62	-93.30
O=C([O-])C1=COC2=C1NC(C(=O)NC1=CC=CC(C3=NN=N[N-]3)=C1)=C2	REAL300020057074	1	33	-2.0	-96.89	311.57	3.62	-93.27
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057075	0	35	-2.0	-112.71	304.96	6.00	-106.71
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057075	1	35	-2.0	-112.67	305.02	5.99	-106.68
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020057076	0	35	-2.0	-104.84	325.25	4.88	-99.96
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020057076	1	35	-2.0	-104.78	325.04	4.88	-99.90
O=C([O-])C1=CSC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020057077	0	29	-2.0	-110.89	288.19	4.48	-106.41
O=C([O-])C1=CSC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020057077	1	29	-2.0	-110.88	288.26	4.47	-106.41
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057078	0	37	-2.0	-102.66	315.15	3.63	-99.03
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057078	1	37	-2.0	-102.67	315.22	3.62	-99.05
O=C([O-])C1=CC=CC2=C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C=CC=C12	REAL300020057079	0	38	-2.0	-105.73	331.09	7.53	-98.20
O=C([O-])C1=CC=CC2=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C=CC=C12	REAL300020057079	1	38	-2.0	-105.73	331.15	7.53	-98.20
CC(C)[C@]1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C[C@H]1C(=O)[O-]	REAL300020057080	0	38	-2.0	-96.51	323.90	5.65	-90.86
CC(C)[C@]1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C[C@H]1C(=O)[O-]	REAL300020057080	1	38	-2.0	-96.46	323.95	5.65	-90.81
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057081	0	38	-2.0	-120.39	336.35	6.61	-113.78
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057081	1	38	-2.0	-120.35	336.42	6.60	-113.75
O=C([O-])C1=CSC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020057082	0	32	-2.0	-115.57	311.19	5.28	-110.29
O=C([O-])C1=CSC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020057082	1	32	-2.0	-115.48	311.25	5.27	-110.21
O=C([O-])C1=CC=C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300020057083	0	35	-2.0	-122.59	323.92	6.18	-116.41
O=C([O-])C1=CC=C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300020057083	1	35	-2.0	-122.56	323.98	6.17	-116.39
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020057084	0	35	-2.0	-104.66	301.35	5.02	-99.64
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020057084	1	35	-2.0	-104.58	301.41	5.01	-99.57
O=C([O-])C1=C2CCCCC2=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020057085	0	39	-2.0	-95.82	343.97	7.01	-88.81
O=C([O-])C1=C2CCCCC2=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020057085	1	39	-2.0	-95.78	344.04	7.00	-88.78
O=C([O-])C12CCC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)(CC1)CC2	REAL300020057086	0	42	-2.0	-101.81	338.30	6.36	-95.45
O=C([O-])C12CCC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)(CC1)CC2	REAL300020057086	1	42	-2.0	-101.83	338.36	6.35	-95.48
O=C([O-])C1=CC=CC(NC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300020057089	0	46	-2.0	-101.88	377.91	5.99	-95.89
O=C([O-])C1=CC=CC(NC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300020057089	1	46	-2.0	-101.87	377.97	6.00	-95.87
O=C([O-])C1=CC=CC(NC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=C1	REAL300020057090	0	46	-2.0	-91.20	385.82	6.25	-84.95
O=C([O-])C1=CC=CC(NC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=C1	REAL300020057090	1	46	-2.0	-91.22	385.89	6.25	-84.97
CC(CC(=O)[O-])(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL300020057091	0	39	-2.0	-108.68	328.16	4.50	-104.18
CC(CC(=O)[O-])(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL300020057091	1	39	-2.0	-108.71	328.21	4.51	-104.20
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=N1	REAL300020057092	0	39	-2.0	-98.19	338.72	4.31	-93.88
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=N1	REAL300020057092	1	39	-2.0	-98.17	338.79	4.31	-93.86
CC(CC(=O)[O-])(NC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL300020057093	0	39	-2.0	-99.84	325.30	4.09	-95.75
CC(CC(=O)[O-])(NC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL300020057093	1	39	-2.0	-99.90	325.35	4.10	-95.80
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=NC=C1	REAL300020057094	0	39	-2.0	-89.69	335.68	3.74	-85.95
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=NC=C1	REAL300020057094	1	39	-2.0	-89.65	335.76	3.75	-85.90
O=C([O-])C1C(O)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057095	0	35	-2.0	-102.91	295.15	3.05	-99.86
O=C([O-])C1C(O)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057095	1	35	-2.0	-102.92	295.22	3.06	-99.86
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020057096	0	39	-2.0	-90.92	340.42	5.39	-85.53
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020057096	1	39	-2.0	-90.90	340.47	5.41	-85.49
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057097	0	39	-2.0	-97.10	347.01	6.11	-90.99
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057097	1	39	-2.0	-97.08	347.08	6.11	-90.97
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)CCCC1=N[N-]N=N1	REAL300020057100	0	38	-2.0	-97.62	330.01	5.48	-92.14
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)CCCC1=NN=N[N-]1	REAL300020057100	1	38	-2.0	-97.65	330.07	5.49	-92.16
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057101	0	38	-2.0	-100.33	337.16	4.75	-95.58
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057101	1	38	-2.0	-100.31	337.22	4.75	-95.56
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL300020057102	0	36	-2.0	-99.22	321.64	3.66	-95.56
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL300020057102	1	36	-2.0	-99.23	321.70	3.67	-95.56
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=NC=C1	REAL300020057103	0	36	-2.0	-89.01	332.16	3.41	-85.60
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=NC=C1	REAL300020057103	1	36	-2.0	-88.98	332.23	3.43	-85.55
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=N1	REAL300020057104	0	33	-2.0	-98.15	311.93	2.63	-95.52
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=N1	REAL300020057104	1	33	-2.0	-98.14	312.00	2.63	-95.51
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(C(=O)[O-])=C1	REAL300020057105	0	34	-2.0	-96.26	313.83	4.38	-91.88
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(C(=O)[O-])=C1	REAL300020057105	1	34	-2.0	-96.30	313.76	4.37	-91.93
O=C([O-])CN1N=CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL300020057106	0	37	-2.0	-125.02	332.14	4.29	-120.73
O=C([O-])CN1N=CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL300020057106	1	37	-2.0	-124.94	332.08	4.28	-120.66
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C21	REAL300020057107	0	37	-2.0	-90.35	342.96	4.06	-86.29
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C21	REAL300020057107	1	37	-2.0	-90.32	343.02	4.07	-86.25
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1F	REAL300020057108	0	31	-2.0	-86.48	296.77	3.75	-82.73
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1F	REAL300020057108	1	31	-2.0	-86.45	296.70	3.74	-82.71
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@@H]2C1	REAL300020057109	0	38	-2.0	-92.69	321.08	4.07	-88.62
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@@H]2C1	REAL300020057109	1	38	-2.0	-92.67	321.15	4.08	-88.59
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057110	0	37	-2.0	-87.89	309.47	4.59	-83.30
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057110	1	37	-2.0	-87.84	309.53	4.60	-83.24
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057111	0	37	-2.0	-81.25	322.43	4.92	-76.33
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057111	1	37	-2.0	-81.24	322.50	4.92	-76.32
CC(NC(=O)CCCC1=N[N-]N=N1)C1(C(=O)[O-])CCOCC1	REAL300020057112	0	41	-2.0	-87.78	325.44	2.56	-85.22
CC(NC(=O)CCCC1=NN=N[N-]1)C1(C(=O)[O-])CCOCC1	REAL300020057112	1	41	-2.0	-87.77	325.50	2.58	-85.19
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(C(=O)[O-])CCOCC1	REAL300020057113	0	41	-2.0	-91.20	335.74	2.19	-89.01
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(C(=O)[O-])CCOCC1	REAL300020057113	1	41	-2.0	-91.14	335.81	2.22	-88.92
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300020057114	0	39	-2.0	-100.70	330.39	6.03	-94.67
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300020057114	1	39	-2.0	-100.68	330.44	6.05	-94.63
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057115	0	39	-2.0	-90.93	331.51	6.52	-84.41
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057115	1	39	-2.0	-90.90	331.57	6.52	-84.38
O=C([O-])C1=CN=C(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)S1	REAL300020057116	0	37	-2.0	-97.52	338.39	4.40	-93.12
O=C([O-])C1=CN=C(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)S1	REAL300020057116	1	37	-2.0	-97.57	338.45	4.42	-93.15
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)S1	REAL300020057117	0	37	-2.0	-83.92	345.32	4.57	-79.35
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)S1	REAL300020057117	1	37	-2.0	-83.91	345.39	4.57	-79.34
O=C([O-])C1=CN=C(CCNC(=O)CCCC2=N[N-]N=N2)S1	REAL300020057118	0	33	-2.0	-99.74	315.68	2.12	-97.62
O=C([O-])C1=CN=C(CCNC(=O)CCCC2=NN=N[N-]2)S1	REAL300020057118	1	33	-2.0	-99.72	315.73	2.13	-97.59
O=C([O-])C1=CN=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020057119	0	33	-2.0	-84.95	326.27	1.91	-83.04
O=C([O-])C1=CN=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020057119	1	33	-2.0	-84.94	326.34	1.92	-83.02
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300020057120	0	37	-2.0	-90.44	318.86	3.77	-86.67
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300020057120	1	37	-2.0	-90.41	318.93	3.77	-86.64
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020057121	0	31	-2.0	-88.27	299.33	3.48	-84.79
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020057121	1	31	-2.0	-88.32	299.26	3.47	-84.85
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)CCCC1=N[N-]N=N1	REAL300020057122	0	39	-2.0	-104.52	325.12	5.26	-99.26
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)CCCC1=NN=N[N-]1	REAL300020057122	1	39	-2.0	-104.50	325.18	5.28	-99.22
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057123	0	39	-2.0	-93.70	324.41	5.71	-87.99
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057123	1	39	-2.0	-93.67	324.47	5.71	-87.96
O=C([O-])C1=NOC2(C1)CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300020057124	0	39	-2.0	-90.84	329.60	3.70	-87.14
O=C([O-])C1=NOC2(C1)CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300020057124	1	39	-2.0	-90.85	329.66	3.72	-87.13
O=C([O-])C1=NOC2(C1)CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020057125	0	39	-2.0	-83.63	337.29	3.94	-79.69
O=C([O-])C1=NOC2(C1)CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020057125	1	39	-2.0	-83.61	337.35	3.95	-79.66
O=C([O-])[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020057126	0	34	-2.0	-95.16	315.56	4.19	-90.97
O=C([O-])[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020057126	1	34	-2.0	-95.14	315.63	4.19	-90.95
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020057127	0	37	-2.0	-102.63	343.71	5.40	-97.23
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020057127	1	37	-2.0	-102.64	343.77	5.42	-97.22
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020057128	0	37	-2.0	-88.83	353.66	5.24	-83.59
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020057128	1	37	-2.0	-88.83	353.72	5.25	-83.58
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057129	0	39	-2.0	-105.40	344.84	4.40	-101.00
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057129	1	39	-2.0	-105.38	344.90	4.42	-100.96
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057130	0	39	-2.0	-91.12	355.67	4.13	-86.99
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057130	1	39	-2.0	-91.06	355.74	4.15	-86.91
C=CCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057131	0	34	-2.0	-90.08	313.70	3.43	-86.65
C=CCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057131	1	34	-2.0	-90.06	313.77	3.45	-86.61
O=C([O-])C(CC1=NC=CS1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057132	0	33	-2.0	-106.52	313.50	2.39	-104.13
O=C([O-])C(CC1=NC=CS1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057132	1	33	-2.0	-106.54	313.56	2.41	-104.13
O=C([O-])C(CC1=NC=CS1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057133	0	33	-2.0	-91.35	324.59	2.12	-89.23
O=C([O-])C(CC1=NC=CS1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057133	1	33	-2.0	-91.35	324.66	2.13	-89.22
O=C([O-])C(CC1=CC=CC=C1Br)NC(=O)CCCC1=N[N-]N=N1	REAL300020057134	0	37	-2.0	-108.46	345.48	5.65	-102.81
O=C([O-])C(CC1=CC=CC=C1Br)NC(=O)CCCC1=NN=N[N-]1	REAL300020057134	1	37	-2.0	-108.47	345.54	5.67	-102.80
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL300020057135	0	31	-2.0	-115.76	293.98	4.32	-111.44
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL300020057135	1	31	-2.0	-115.83	294.04	4.34	-111.49
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1Cl	REAL300020057136	0	31	-2.0	-93.59	304.93	4.11	-89.48
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1Cl	REAL300020057136	1	31	-2.0	-93.62	304.87	4.10	-89.52
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL300020057137	0	34	-2.0	-100.41	333.26	4.15	-96.26
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL300020057137	1	34	-2.0	-100.45	333.32	4.16	-96.29
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057138	0	34	-2.0	-86.47	343.85	3.95	-82.52
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057138	1	34	-2.0	-86.43	343.92	3.95	-82.48
O=C([O-])C1=CN(C2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)N=N1	REAL300020057139	0	43	-2.0	-107.16	357.45	4.48	-102.68
O=C([O-])C1=CN(C2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)N=N1	REAL300020057139	1	43	-2.0	-107.16	357.39	4.46	-102.70
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)N=N1	REAL300020057140	0	43	-2.0	-97.77	363.12	5.01	-92.76
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)N=N1	REAL300020057140	1	43	-2.0	-97.79	363.05	5.01	-92.78
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CSC(Br)=C1	REAL300020057141	0	31	-2.0	-103.16	317.00	4.15	-99.01
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CSC(Br)=C1	REAL300020057141	1	31	-2.0	-103.16	317.05	4.16	-99.00
O=C([O-])C1CC12CCC(NC(=O)CCCC1=N[N-]N=N1)CC2	REAL300020057142	0	41	-2.0	-101.06	334.49	4.87	-96.19
O=C([O-])C1CC12CCC(NC(=O)CCCC1=NN=N[N-]1)CC2	REAL300020057142	1	41	-2.0	-101.07	334.55	4.88	-96.19
O=C([O-])C1CC12CCC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020057143	0	41	-2.0	-89.97	345.09	4.67	-85.30
O=C([O-])C1CC12CCC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020057143	1	41	-2.0	-89.96	345.16	4.69	-85.27
O=C([O-])CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300020057144	0	40	-2.0	-88.63	333.24	4.09	-84.54
O=C([O-])CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300020057144	1	40	-2.0	-88.57	333.31	4.10	-84.47
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C(C(=O)[O-])O1	REAL300020057145	0	34	-2.0	-88.60	322.00	2.94	-85.66
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C(C(=O)[O-])O1	REAL300020057145	1	34	-2.0	-88.54	322.07	2.95	-85.59
O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057146	0	40	-2.0	-90.73	330.93	3.85	-86.88
O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057146	1	40	-2.0	-90.67	330.99	3.85	-86.82
O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057147	0	40	-2.0	-91.67	327.12	4.65	-87.02
O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057147	1	40	-2.0	-91.65	327.19	4.66	-86.99
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCCCCC[C@H]1C(=O)[O-]	REAL300020057148	0	43	-2.0	-113.50	325.40	5.01	-108.49
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCCCCC[C@H]1C(=O)[O-]	REAL300020057148	1	43	-2.0	-113.51	325.45	5.02	-108.49
O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057149	0	43	-2.0	-92.94	337.45	5.76	-87.18
O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057149	1	43	-2.0	-92.91	337.52	5.76	-87.15
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2S1	REAL300020057150	0	34	-2.0	-96.38	319.88	5.41	-90.97
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2S1	REAL300020057150	1	34	-2.0	-96.35	319.94	5.43	-90.92
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C2S1	REAL300020057151	0	34	-2.0	-84.23	330.14	5.22	-79.01
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C2S1	REAL300020057151	1	34	-2.0	-84.28	330.07	5.21	-79.07
COC1=C(NC(=O)CCCC2=N[N-]N=N2)C=CC=C1C(=O)[O-]	REAL300020057152	0	35	-2.0	-96.38	309.91	4.11	-92.27
COC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CC=C1C(=O)[O-]	REAL300020057152	1	35	-2.0	-96.38	309.96	4.13	-92.25
COC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CC=C1C(=O)[O-]	REAL300020057153	0	35	-2.0	-87.26	320.51	3.91	-83.35
COC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CC=C1C(=O)[O-]	REAL300020057153	1	35	-2.0	-87.27	320.46	3.89	-83.38
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL300020057154	0	41	-2.0	-109.16	334.60	3.38	-105.78
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL300020057154	1	41	-2.0	-109.13	334.66	3.40	-105.73
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300020057155	0	41	-2.0	-93.23	344.46	3.09	-90.14
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300020057155	1	41	-2.0	-93.23	344.53	3.10	-90.13
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300020057156	0	43	-2.0	-105.52	340.28	5.25	-100.27
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300020057156	1	43	-2.0	-105.54	340.34	5.28	-100.26
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300020057157	0	43	-2.0	-92.78	353.62	5.46	-87.32
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300020057157	1	43	-2.0	-92.77	353.69	5.48	-87.29
CC#CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057158	0	32	-2.0	-90.39	306.65	3.53	-86.86
CC#CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057158	1	32	-2.0	-90.39	306.72	3.53	-86.86
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCCC1	REAL300020057159	0	46	-2.0	-95.16	351.74	6.23	-88.93
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCCC1	REAL300020057159	1	46	-2.0	-95.13	351.80	6.25	-88.88
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCCC1	REAL300020057160	0	46	-2.0	-89.14	361.21	5.95	-83.19
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCCC1	REAL300020057160	1	46	-2.0	-89.15	361.28	5.95	-83.20
O=C([O-])C1=CC=C(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300020057161	0	44	-2.0	-101.42	362.65	7.64	-93.78
O=C([O-])C1=CC=C(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300020057161	1	44	-2.0	-101.42	362.71	7.66	-93.76
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1	REAL300020057162	0	44	-2.0	-89.95	370.36	7.88	-82.07
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1	REAL300020057162	1	44	-2.0	-89.92	370.42	7.90	-82.02
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CC12CCCCC2	REAL300020057163	0	44	-2.0	-90.96	341.38	5.98	-84.98
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CC12CCCCC2	REAL300020057163	1	44	-2.0	-90.99	341.43	5.99	-85.00
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCCCC2	REAL300020057164	0	44	-2.0	-89.51	348.71	6.18	-83.33
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCCCC2	REAL300020057164	1	44	-2.0	-89.44	348.78	6.20	-83.24
CC(C)CC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057165	0	46	-2.0	-97.43	346.53	6.10	-91.33
CC(C)CC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057165	1	46	-2.0	-97.40	346.58	6.11	-91.29
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057166	0	46	-2.0	-87.50	353.14	6.23	-81.27
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057166	1	46	-2.0	-87.54	353.21	6.24	-81.30
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057167	0	34	-2.0	-95.83	292.60	5.06	-90.77
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057167	1	34	-2.0	-95.80	292.66	5.06	-90.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057168	0	36	-3.0	-175.18	305.09	4.35	-170.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057168	1	36	-3.0	-175.20	305.14	4.37	-170.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057169	0	36	-3.0	-173.35	313.27	4.65	-168.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057169	1	36	-3.0	-173.32	313.34	4.65	-168.67
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057170	0	34	-2.0	-87.48	297.89	4.24	-83.24
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057170	1	34	-2.0	-87.47	297.96	4.24	-83.23
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020057171	0	31	-2.0	-88.40	298.03	3.85	-84.55
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020057171	1	31	-2.0	-88.47	297.96	3.84	-84.63
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020057172	0	37	-2.0	-101.19	343.05	6.07	-95.12
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020057172	1	37	-2.0	-101.20	343.11	6.08	-95.12
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(Cl)=C1	REAL300020057173	0	37	-2.0	-87.62	346.78	5.06	-82.56
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(Cl)=C1	REAL300020057173	1	37	-2.0	-87.60	346.84	5.06	-82.54
O=C([O-])[C@@H]1CC=C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057174	0	35	-2.0	-86.36	310.54	3.50	-82.86
O=C([O-])[C@@H]1CC=C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057174	1	35	-2.0	-86.33	310.61	3.51	-82.82
O=C(CCCC1=N[N-]N=N1)NCCCCC1(C(=O)[O-])CCC1	REAL300020057175	0	43	-2.0	-103.06	354.64	5.15	-97.91
O=C(CCCC1=NN=N[N-]1)NCCCCC1(C(=O)[O-])CCC1	REAL300020057175	1	43	-2.0	-103.05	354.70	5.17	-97.88
O=C([O-])C1(CCCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300020057176	0	43	-2.0	-87.37	363.00	4.91	-82.46
O=C([O-])C1(CCCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300020057176	1	43	-2.0	-87.36	363.06	4.91	-82.45
O=C([O-])C[C@@H](CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057177	0	40	-2.0	-107.09	346.08	6.13	-100.96
O=C([O-])C[C@@H](CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057177	1	40	-2.0	-107.04	346.14	6.15	-100.89
O=C([O-])C[C@@H](CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057178	0	40	-2.0	-87.16	354.40	5.56	-81.60
O=C([O-])C[C@@H](CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057178	1	40	-2.0	-87.16	354.47	5.57	-81.59
O=C([O-])C[C@H](CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057179	0	40	-2.0	-104.48	345.60	6.07	-98.41
O=C([O-])C[C@H](CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057179	1	40	-2.0	-104.46	345.66	6.08	-98.38
O=C([O-])C[C@H](CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057180	0	40	-2.0	-87.49	354.34	5.55	-81.94
O=C([O-])C[C@H](CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057180	1	40	-2.0	-87.46	354.41	5.56	-81.90
O=C([O-])C1=C2CN(C(=O)CCCC3=N[N-]N=N3)CCN2N=C1	REAL300020057181	0	35	-2.0	-108.36	304.80	3.25	-105.11
O=C([O-])C1=C2CN(C(=O)CCCC3=NN=N[N-]3)CCN2N=C1	REAL300020057181	1	35	-2.0	-108.33	304.85	3.26	-105.07
O=C([O-])C1=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCN2N=C1	REAL300020057182	0	35	-2.0	-97.82	312.44	3.54	-94.28
O=C([O-])C1=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCN2N=C1	REAL300020057182	1	35	-2.0	-97.85	312.51	3.55	-94.30
O=C([O-])C1=NN2CCCC(NC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300020057183	0	38	-2.0	-122.57	327.50	2.80	-119.77
O=C([O-])C1=NN2CCCC(NC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300020057183	1	38	-2.0	-122.58	327.57	2.80	-119.78
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300020057184	0	38	-2.0	-105.80	337.89	2.58	-103.22
O=C([O-])C1=NN2CCCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300020057184	1	38	-2.0	-105.82	337.96	2.59	-103.23
O=C(CCCC1=N[N-]N=N1)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300020057185	0	42	-2.0	-98.81	357.05	5.31	-93.50
O=C(CCCC1=NN=N[N-]1)NC1CCSC2(CC(C(=O)[O-])C2)C1	REAL300020057185	1	42	-2.0	-98.82	357.11	5.33	-93.49
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCS2	REAL300020057186	0	42	-2.0	-86.44	365.35	5.04	-81.40
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCS2	REAL300020057186	1	42	-2.0	-86.40	365.42	5.04	-81.36
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057187	0	37	-2.0	-83.76	321.77	3.60	-80.16
O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057187	1	37	-2.0	-83.72	321.84	3.61	-80.11
O=C([O-])C1CC2(C1)CC(NC(=O)CCCC1=N[N-]N=N1)CCS2(=O)=O	REAL300020057188	0	44	-2.0	-103.24	372.42	1.76	-101.48
O=C([O-])C1CC2(C1)CC(NC(=O)CCCC1=NN=N[N-]1)CCS2(=O)=O	REAL300020057188	1	44	-2.0	-103.24	372.48	1.77	-101.47
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL300020057189	0	31	-2.0	-101.66	294.14	4.32	-97.34
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL300020057189	1	31	-2.0	-101.70	294.20	4.33	-97.37
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1Cl	REAL300020057190	0	31	-2.0	-83.48	304.74	4.12	-79.36
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1Cl	REAL300020057190	1	31	-2.0	-83.53	304.67	4.11	-79.42
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300020057191	0	35	-2.0	-86.92	308.38	2.30	-84.62
O=C([O-])[C@@H]1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300020057191	1	35	-2.0	-86.93	308.45	2.32	-84.61
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL300020057192	0	37	-2.0	-90.09	319.81	3.96	-86.13
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL300020057192	1	37	-2.0	-90.08	319.87	3.96	-86.12
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020057193	0	40	-2.0	-100.93	358.35	5.79	-95.14
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020057193	1	40	-2.0	-100.95	358.41	5.80	-95.15
O=C([O-])[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020057194	0	34	-2.0	-94.85	314.92	4.25	-90.60
O=C([O-])[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020057194	1	34	-2.0	-94.80	314.98	4.25	-90.55
CC(CN1C=CC=N1)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020057195	0	37	-2.0	-110.04	318.78	3.95	-106.09
CC(CN1C=CC=N1)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020057195	1	37	-2.0	-110.05	318.83	3.96	-106.09
CC(CN1C=CC=N1)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057196	0	37	-2.0	-96.11	329.36	3.78	-92.33
CC(CN1C=CC=N1)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057196	1	37	-2.0	-96.10	329.42	3.78	-92.32
O=C(CCCC1=N[N-]N=N1)NCC(CC1CCCC1)C(=O)[O-]	REAL300020057197	0	43	-2.0	-93.69	347.47	5.39	-88.30
O=C(CCCC1=NN=N[N-]1)NCC(CC1CCCC1)C(=O)[O-]	REAL300020057197	1	43	-2.0	-93.76	347.53	5.40	-88.36
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1CCCC1	REAL300020057198	0	43	-2.0	-89.70	361.75	4.92	-84.78
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1CCCC1	REAL300020057198	1	43	-2.0	-89.73	361.81	4.93	-84.80
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL300020057199	0	38	-2.0	-101.43	324.45	3.93	-97.50
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL300020057199	1	38	-2.0	-101.45	324.51	3.94	-97.51
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057200	0	38	-2.0	-94.59	328.49	4.23	-90.36
CC1CN2N=C(C(=O)[O-])C=C2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057200	1	38	-2.0	-94.50	328.55	4.25	-90.25
O=C([O-])CC1CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057201	0	37	-2.0	-87.47	326.62	3.59	-83.88
O=C([O-])CC1CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057201	1	37	-2.0	-87.41	326.68	3.60	-83.81
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)CCCC1=N[N-]N=N1	REAL300020057202	0	46	-2.0	-103.87	363.56	7.22	-96.65
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)CCCC1=NN=N[N-]1	REAL300020057202	1	46	-2.0	-103.82	363.61	7.24	-96.58
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057203	0	46	-2.0	-95.00	357.23	7.65	-87.35
CCN(CC1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057203	1	46	-2.0	-95.02	357.30	7.65	-87.37
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)CCCC1=NN=N[N-]1	REAL300020057204	0	36	-2.0	-99.98	319.94	4.56	-95.42
O=C([O-])C1=NC=C2C(=C1)C=CC=C2NC(=O)CCCC1=N[N-]N=N1	REAL300020057204	1	36	-2.0	-99.99	319.88	4.55	-95.44
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2C=N1	REAL300020057205	0	36	-2.0	-92.41	331.49	4.36	-88.05
O=C([O-])C1=CC2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2C=N1	REAL300020057205	1	36	-2.0	-92.44	331.43	4.35	-88.09
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057206	0	33	-2.0	-87.75	305.72	2.77	-84.98
CC1=NC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057206	1	33	-2.0	-87.67	305.78	2.77	-84.90
O=C([O-])C1=CC=C2C=C(CCNC(=O)CCCC3=N[N-]N=N3)OC2=C1	REAL300020057207	0	40	-2.0	-104.41	356.75	5.30	-99.11
O=C([O-])C1=CC=C2C=C(CCNC(=O)CCCC3=NN=N[N-]3)OC2=C1	REAL300020057207	1	40	-2.0	-104.44	356.81	5.31	-99.13
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)OC2=C1	REAL300020057208	0	40	-2.0	-90.01	367.35	5.09	-84.92
O=C([O-])C1=CC=C2C=C(CCNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)OC2=C1	REAL300020057208	1	40	-2.0	-89.96	367.41	5.10	-84.86
O=C([O-])C1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCOC2=C1	REAL300020057209	0	39	-2.0	-102.35	332.48	5.30	-97.05
O=C([O-])C1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCOC2=C1	REAL300020057209	1	39	-2.0	-102.35	332.53	5.31	-97.04
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCOC2=C1	REAL300020057210	0	39	-2.0	-93.73	331.96	5.78	-87.95
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCOC2=C1	REAL300020057210	1	39	-2.0	-93.67	332.02	5.79	-87.88
O=C([O-])C1=CC2=NC=C(NC(=O)CCCC3=NN=N[N-]3)N2C=C1	REAL300020057211	0	34	-2.0	-98.00	308.23	5.32	-92.68
O=C([O-])C1=CC2=NC=C(NC(=O)CCCC3=N[N-]N=N3)N2C=C1	REAL300020057211	1	34	-2.0	-97.94	308.17	5.31	-92.63
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)N2C=C1	REAL300020057212	0	34	-2.0	-83.27	318.79	5.11	-78.16
O=C([O-])C1=CC2=NC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)N2C=C1	REAL300020057212	1	34	-2.0	-83.27	318.72	5.10	-78.17
O=C([O-])CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300020057213	0	37	-2.0	-96.60	310.28	6.13	-90.47
O=C([O-])CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300020057213	1	37	-2.0	-96.56	310.35	6.14	-90.42
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057214	0	48	-2.0	-110.76	415.92	8.17	-102.59
O=C([O-])C(CC1=CC=CC(OC2=CC=CC=C2)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057214	1	48	-2.0	-110.83	415.98	8.19	-102.64
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CC12CCOCC2	REAL300020057215	0	42	-2.0	-90.25	333.00	3.61	-86.64
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CC12CCOCC2	REAL300020057215	1	42	-2.0	-90.23	333.06	3.62	-86.61
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCOCC2	REAL300020057216	0	42	-2.0	-87.63	338.51	3.80	-83.83
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCOCC2	REAL300020057216	1	42	-2.0	-87.63	338.57	3.81	-83.82
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)NN=C1C(=O)[O-]	REAL300020057217	0	31	-2.0	-85.54	290.50	1.98	-83.56
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)NN=C1C(=O)[O-]	REAL300020057217	1	31	-2.0	-85.50	290.56	1.99	-83.51
O=C([O-])C1CC2CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2C1	REAL300020057218	0	38	-2.0	-92.59	327.17	3.95	-88.64
O=C([O-])C1CC2CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2C1	REAL300020057218	1	38	-2.0	-92.53	327.24	3.96	-88.57
COCC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057219	0	41	-2.0	-98.95	328.61	4.30	-94.65
COCC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057219	1	41	-2.0	-99.01	328.66	4.31	-94.70
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057220	0	41	-2.0	-89.77	338.01	3.79	-85.98
COCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057220	1	41	-2.0	-89.76	338.08	3.78	-85.98
O=C([O-])C1=CC=C2CCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300020057221	0	35	-2.0	-121.50	305.91	6.14	-115.36
O=C([O-])C1=CC=C2CCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300020057221	1	35	-2.0	-121.54	305.97	6.15	-115.39
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300020057222	0	35	-2.0	-97.86	312.77	6.30	-91.56
O=C([O-])C1=CC=C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300020057222	1	35	-2.0	-97.83	312.83	6.32	-91.51
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC(CC(=O)[O-])=C1	REAL300020057223	0	37	-2.0	-103.59	325.79	6.42	-97.17
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC(CC(=O)[O-])=C1	REAL300020057223	1	37	-2.0	-103.60	325.86	6.43	-97.17
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(CC(=O)[O-])=C1	REAL300020057224	0	37	-2.0	-85.18	323.39	6.44	-78.74
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(CC(=O)[O-])=C1	REAL300020057224	1	37	-2.0	-85.19	323.46	6.45	-78.74
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057225	0	36	-2.0	-90.93	308.97	3.09	-87.84
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057225	1	36	-2.0	-90.90	309.04	3.09	-87.81
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC2=C1OC1=CC=CC=C1O2	REAL300020057226	0	41	-2.0	-125.74	362.18	6.72	-119.02
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC2=C1OC1=CC=CC=C1O2	REAL300020057226	1	41	-2.0	-125.76	362.24	6.74	-119.02
CON(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)CC(=O)[O-]	REAL300020057227	0	34	-2.0	-95.02	299.38	4.18	-90.84
CON(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)CC(=O)[O-]	REAL300020057227	1	34	-2.0	-95.05	299.44	4.18	-90.87
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CN=C1	REAL300020057228	0	39	-2.0	-95.54	343.30	3.79	-91.75
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CN=C1	REAL300020057228	1	39	-2.0	-95.55	343.36	3.80	-91.75
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CN=C1	REAL300020057229	0	39	-2.0	-90.33	353.82	3.58	-86.75
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CN=C1	REAL300020057229	1	39	-2.0	-90.38	353.89	3.59	-86.79
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057230	0	38	-2.0	-86.94	319.60	2.75	-84.19
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057230	1	38	-2.0	-86.88	319.65	2.76	-84.12
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057231	0	38	-2.0	-80.25	327.94	2.87	-77.38
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057231	1	38	-2.0	-80.21	328.00	2.88	-77.33
O=C([O-])C1=C(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)OC=N1	REAL300020057232	0	40	-2.0	-100.11	338.97	2.47	-97.64
O=C([O-])C1=C(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)OC=N1	REAL300020057232	1	40	-2.0	-100.16	338.92	2.46	-97.70
O=C([O-])C1=C(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)OC=N1	REAL300020057233	0	40	-2.0	-91.11	346.67	2.71	-88.40
O=C([O-])C1=C(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)OC=N1	REAL300020057233	1	40	-2.0	-91.14	346.60	2.70	-88.44
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057234	0	32	-2.0	-91.52	290.09	-0.55	-92.07
O=C(N[C@@]1(C(=O)[O-])C[C@@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057234	1	32	-2.0	-91.47	290.15	-0.54	-92.01
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020057235	0	43	-2.0	-107.81	348.55	3.56	-104.25
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020057235	1	43	-2.0	-107.80	348.61	3.57	-104.23
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057236	0	43	-2.0	-94.71	359.13	3.35	-91.36
C[C@@H](OC(C)(C)C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057236	1	43	-2.0	-94.72	359.19	3.35	-91.37
CC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])C1	REAL300020057237	0	37	-2.0	-94.45	314.57	4.11	-90.34
CC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])C1	REAL300020057237	1	37	-2.0	-94.41	314.64	4.11	-90.30
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057238	0	38	-2.0	-93.19	323.08	4.18	-89.01
COC1CC(C(=O)[O-])(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057238	1	38	-2.0	-93.17	323.15	4.19	-88.98
CC1(C)CCCC1(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057239	0	40	-2.0	-96.17	324.89	4.80	-91.37
CC1(C)CCCC1(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057239	1	40	-2.0	-96.14	324.96	4.81	-91.33
O=C([O-])C1=NOC2(CCN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL300020057240	0	36	-2.0	-92.12	315.44	2.89	-89.23
O=C([O-])C1=NOC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL300020057240	1	36	-2.0	-92.13	315.49	2.90	-89.23
O=C([O-])C1=NOC2(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL300020057241	0	36	-2.0	-85.04	323.50	3.05	-81.99
O=C([O-])C1=NOC2(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL300020057241	1	36	-2.0	-85.02	323.56	3.07	-81.95
COCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057242	0	34	-2.0	-89.69	313.06	1.17	-88.52
COCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057242	1	34	-2.0	-89.70	313.13	1.19	-88.51
CN(C(=O)CCCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020057243	0	40	-2.0	-99.06	336.77	7.10	-91.96
CN(C(=O)CCCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020057243	1	40	-2.0	-99.07	336.82	7.12	-91.95
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020057244	0	40	-2.0	-88.58	346.29	7.60	-80.98
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020057244	1	40	-2.0	-88.57	346.37	7.61	-80.96
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057245	0	42	-2.0	-85.84	347.23	5.04	-80.80
CC(C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057245	1	42	-2.0	-85.81	347.30	5.06	-80.75
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057246	0	37	-2.0	-98.92	303.07	5.98	-92.94
O=C([O-])C[C@@H]1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057246	1	37	-2.0	-98.91	303.14	6.00	-92.91
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL300020057247	0	45	-2.0	-118.80	360.08	6.64	-112.16
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL300020057247	1	45	-2.0	-118.81	360.13	6.66	-112.15
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057248	0	45	-2.0	-97.58	362.30	7.36	-90.22
CN1C(C(=O)[O-])=CC=C1C1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057248	1	45	-2.0	-97.60	362.37	7.38	-90.22
O=C([O-])C1C2CC1(C1CCCN(C(=O)CCCC3=N[N-]N=N3)C1)CC2	REAL300020057249	0	48	-2.0	-108.86	370.30	7.53	-101.33
O=C([O-])C1C2CC1(C1CCCN(C(=O)CCCC3=NN=N[N-]3)C1)CC2	REAL300020057249	1	48	-2.0	-108.82	370.36	7.55	-101.27
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C1)CC2	REAL300020057250	0	48	-2.0	-99.58	370.88	7.58	-92.00
O=C([O-])C1C2CC1(C1CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C1)CC2	REAL300020057250	1	48	-2.0	-99.55	370.95	7.58	-91.97
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])C1	REAL300020057251	0	37	-2.0	-95.07	316.94	4.67	-90.40
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])C1	REAL300020057251	1	37	-2.0	-95.07	317.01	4.68	-90.39
CC1CCC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])C2=CC=CC=C21	REAL300020057252	0	44	-2.0	-117.12	353.63	6.94	-110.18
CC1CCC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])C2=CC=CC=C21	REAL300020057252	1	44	-2.0	-117.16	353.69	6.95	-110.21
CC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])C2=CC=CC=C21	REAL300020057253	0	44	-2.0	-101.20	364.43	6.77	-94.43
CC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])C2=CC=CC=C21	REAL300020057253	1	44	-2.0	-101.23	364.50	6.77	-94.46
CC1(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])CC1	REAL300020057254	0	34	-2.0	-92.05	308.11	3.25	-88.80
CC1(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])CC1	REAL300020057254	1	34	-2.0	-92.03	308.18	3.25	-88.78
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020057255	0	43	-2.0	-108.11	352.69	3.59	-104.52
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020057255	1	43	-2.0	-108.08	352.74	3.60	-104.48
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057256	0	43	-2.0	-95.37	363.43	3.32	-92.05
C[C@H](OC(C)(C)C)[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057256	1	43	-2.0	-95.33	363.49	3.32	-92.01
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057257	0	33	-3.0	-176.69	298.08	5.58	-171.11
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057257	1	33	-3.0	-176.69	298.14	5.59	-171.10
CN1CC(C(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL300020057258	0	35	-2.0	-91.21	303.00	3.30	-87.91
CN1CC(C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL300020057258	1	35	-2.0	-91.21	303.07	3.31	-87.90
O=C([O-])CN1C=C(CCNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL300020057259	0	36	-2.0	-104.39	325.79	1.62	-102.77
O=C([O-])CN1C=C(CCNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL300020057259	1	36	-2.0	-104.44	325.85	1.64	-102.80
O=C([O-])CN1C=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL300020057260	0	36	-2.0	-89.77	336.39	1.42	-88.35
O=C([O-])CN1C=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL300020057260	1	36	-2.0	-89.75	336.45	1.43	-88.32
CC1CC(C)N(C(=O)CCCC2=N[N-]N=N2)C(C)C1C(=O)[O-]	REAL300020057261	0	43	-2.0	-101.71	328.26	6.36	-95.35
CC1CC(C)N(C(=O)CCCC2=NN=N[N-]2)C(C)C1C(=O)[O-]	REAL300020057261	1	43	-2.0	-101.69	328.32	6.37	-95.32
CC1CC(C)N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1C(=O)[O-]	REAL300020057262	0	43	-2.0	-94.54	342.72	4.79	-89.75
CC1CC(C)N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1C(=O)[O-]	REAL300020057262	1	43	-2.0	-94.58	342.79	4.79	-89.79
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057263	0	35	-2.0	-98.04	302.10	5.18	-92.86
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057263	1	35	-2.0	-98.06	302.17	5.19	-92.87
O=C([O-])C1=CN=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020057264	0	30	-2.0	-88.42	287.22	1.95	-86.47
O=C([O-])C1=CN=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020057264	1	30	-2.0	-88.64	287.39	1.93	-86.71
O=C([O-])C1=CSC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300020057267	0	39	-2.0	-98.92	343.98	3.29	-95.63
O=C([O-])C1=CSC(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL300020057267	1	39	-2.0	-98.89	343.92	3.27	-95.62
O=C([O-])C1=CSC(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=N1	REAL300020057268	0	39	-2.0	-92.64	351.68	3.55	-89.09
O=C([O-])C1=CSC(N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=N1	REAL300020057268	1	39	-2.0	-92.68	351.61	3.54	-89.14
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CC(COCC2=CC=CC=C2)C1	REAL300020057269	0	48	-2.0	-119.43	404.49	6.75	-112.68
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CC(COCC2=CC=CC=C2)C1	REAL300020057269	1	48	-2.0	-119.48	404.55	6.76	-112.72
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOC1	REAL300020057270	0	38	-2.0	-88.54	332.11	1.56	-86.98
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOC1	REAL300020057270	1	38	-2.0	-88.47	332.17	1.58	-86.89
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL300020057271	0	42	-2.0	-100.03	347.74	7.66	-92.37
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL300020057271	1	42	-2.0	-99.99	347.80	7.67	-92.32
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057272	0	42	-2.0	-102.42	355.36	7.80	-94.62
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057272	1	42	-2.0	-102.42	355.42	7.81	-94.61
CC(C)(C(=O)[O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020057273	0	43	-2.0	-105.14	345.08	5.82	-99.32
CC(C)(C(=O)[O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020057273	1	43	-2.0	-105.15	345.14	5.84	-99.31
CC(C)(C(=O)[O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020057274	0	43	-2.0	-86.63	354.12	5.57	-81.06
CC(C)(C(=O)[O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020057274	1	43	-2.0	-86.60	354.19	5.59	-81.01
O=C([O-])CC1=CSC(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL300020057277	0	43	-2.0	-98.27	372.51	5.49	-92.78
O=C([O-])CC1=CSC(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300020057277	1	43	-2.0	-98.26	372.56	5.50	-92.76
O=C([O-])CC1=CSC(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=N1	REAL300020057278	0	43	-2.0	-85.97	380.19	5.74	-80.23
O=C([O-])CC1=CSC(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=N1	REAL300020057278	1	43	-2.0	-85.94	380.25	5.74	-80.20
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOC1	REAL300020057279	0	35	-2.0	-89.72	307.32	1.01	-88.71
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOC1	REAL300020057279	1	35	-2.0	-89.73	307.38	1.02	-88.71
O=C([O-])C1=CC=C(CN(C(=O)CCCC2=N[N-]N=N2)C2CC2)C=C1	REAL300020057280	0	41	-2.0	-105.77	341.36	7.16	-98.61
O=C([O-])C1=CC=C(CN(C(=O)CCCC2=NN=N[N-]2)C2CC2)C=C1	REAL300020057280	1	41	-2.0	-105.75	341.42	7.18	-98.57
O=C([O-])C1=CC=C(CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2CC2)C=C1	REAL300020057281	0	41	-2.0	-98.18	349.96	8.35	-89.83
O=C([O-])C1=CC=C(CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2CC2)C=C1	REAL300020057281	1	41	-2.0	-98.16	350.03	8.35	-89.81
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057282	0	36	-2.0	-89.78	308.40	3.56	-86.22
CC(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057282	1	36	-2.0	-89.76	308.48	3.58	-86.18
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057283	0	34	-2.0	-87.30	295.30	4.36	-82.94
O=C([O-])C[C@@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057283	1	34	-2.0	-87.25	295.37	4.37	-82.88
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057284	0	34	-2.0	-87.26	294.22	4.40	-82.86
O=C([O-])C[C@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057284	1	34	-2.0	-87.21	294.28	4.41	-82.80
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCC2	REAL300020057285	0	38	-2.0	-84.20	321.05	5.29	-78.91
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCC2	REAL300020057285	1	38	-2.0	-84.23	321.12	5.33	-78.90
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057286	0	35	-2.0	-98.15	297.39	5.57	-92.58
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057286	1	35	-2.0	-98.12	297.46	5.58	-92.54
O=C([O-])C1=CN=C(C2CCCN2C(=O)CCCC2=N[N-]N=N2)N=C1	REAL300020057287	0	39	-2.0	-104.81	340.67	4.18	-100.63
O=C([O-])C1=CN=C(C2CCCN2C(=O)CCCC2=NN=N[N-]2)N=C1	REAL300020057287	1	39	-2.0	-104.82	340.73	4.20	-100.62
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL300020057288	0	39	-2.0	-87.94	347.89	4.47	-83.47
O=C([O-])C1=CN=C(C2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL300020057288	1	39	-2.0	-87.86	347.96	4.47	-83.39
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL300020057289	0	38	-2.0	-116.61	336.63	4.53	-112.08
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL300020057289	1	38	-2.0	-116.60	336.69	4.54	-112.06
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CNC2=CC=CC=C12	REAL300020057290	0	38	-2.0	-100.51	347.67	4.24	-96.27
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CNC2=CC=CC=C12	REAL300020057290	1	38	-2.0	-100.48	347.73	4.25	-96.23
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057291	0	36	-2.0	-90.13	308.60	3.17	-86.96
CC(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057291	1	36	-2.0	-90.14	308.67	3.17	-86.97
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300020057292	0	38	-2.0	-86.38	325.53	2.34	-84.04
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300020057292	1	38	-2.0	-86.41	325.60	2.35	-84.06
CCN(C(=O)CCCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020057293	0	43	-2.0	-100.63	352.38	7.40	-93.23
CCN(C(=O)CCCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020057293	1	43	-2.0	-100.65	352.44	7.42	-93.23
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020057294	0	43	-2.0	-87.99	356.48	8.54	-79.45
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020057294	1	43	-2.0	-88.01	356.55	8.54	-79.47
O=C([O-])C12COC(CN1C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057295	0	33	-2.0	-94.67	289.92	3.12	-91.55
O=C([O-])C12COC(CN1C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057295	1	33	-2.0	-94.66	289.99	3.12	-91.54
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020057296	0	44	-2.0	-106.82	355.12	7.54	-99.28
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020057296	1	44	-2.0	-106.84	355.18	7.55	-99.29
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057297	0	44	-2.0	-86.53	370.38	7.74	-78.79
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057297	1	44	-2.0	-86.52	370.45	7.74	-78.78
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL300020057298	0	42	-2.0	-96.85	360.06	3.90	-92.95
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300020057298	1	42	-2.0	-96.87	360.12	3.92	-92.95
O=C([O-])C1=CSC(C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)=N1	REAL300020057299	0	40	-2.0	-111.43	350.85	4.72	-106.71
O=C([O-])C1=CSC(C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)=N1	REAL300020057299	1	40	-2.0	-111.45	350.91	4.74	-106.71
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)=N1	REAL300020057300	0	40	-2.0	-102.08	358.61	4.98	-97.10
O=C([O-])C1=CSC(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)=N1	REAL300020057300	1	40	-2.0	-102.07	358.67	4.99	-97.08
O=C([O-])C1=CN(CCC2CCCCN2C(=O)CCCC2=NN=N[N-]2)N=N1	REAL300020057301	0	46	-2.0	-115.96	377.76	5.02	-110.94
O=C([O-])C1=CN(CCC2CCCCN2C(=O)CCCC2=N[N-]N=N2)N=N1	REAL300020057301	1	46	-2.0	-115.94	377.70	5.00	-110.94
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL300020057302	0	46	-2.0	-96.69	385.52	5.16	-91.53
O=C([O-])C1=CN(CCC2CCCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL300020057302	1	46	-2.0	-96.72	385.46	5.15	-91.57
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057303	0	37	-2.0	-98.32	308.57	5.83	-92.49
CC1CCC(C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057303	1	37	-2.0	-98.27	308.64	5.83	-92.44
CC(C1=CC=CC=C1)C(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020057304	0	40	-2.0	-106.10	342.40	5.72	-100.38
CC(C1=CC=CC=C1)C(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020057304	1	40	-2.0	-106.12	342.45	5.73	-100.39
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057305	0	40	-2.0	-92.19	352.98	5.53	-86.66
CC(C1=CC=CC=C1)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057305	1	40	-2.0	-92.19	353.04	5.54	-86.65
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020057306	0	43	-2.0	-92.63	362.07	3.87	-88.76
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020057306	1	43	-2.0	-92.59	362.13	3.88	-88.71
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057307	0	43	-2.0	-92.72	373.78	3.74	-88.98
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057307	1	43	-2.0	-92.80	373.71	3.73	-89.07
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057308	0	37	-2.0	-85.86	321.18	3.56	-82.30
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057308	1	37	-2.0	-85.89	321.25	3.58	-82.31
O=C([O-])C1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CCO2	REAL300020057309	0	39	-2.0	-118.17	330.91	5.62	-112.55
O=C([O-])C1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CCO2	REAL300020057309	1	39	-2.0	-118.19	330.97	5.64	-112.55
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCO2	REAL300020057310	0	39	-2.0	-106.76	328.61	5.97	-100.79
O=C([O-])C1=CC=CC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCO2	REAL300020057310	1	39	-2.0	-106.72	328.66	5.97	-100.75
O=C([O-])C1=NN(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300020057311	0	41	-2.0	-104.99	346.22	4.93	-100.06
O=C([O-])C1=NN(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300020057311	1	41	-2.0	-105.02	346.16	4.91	-100.11
O=C([O-])C1=NN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1	REAL300020057312	0	41	-2.0	-93.83	353.96	5.19	-88.64
O=C([O-])C1=NN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1	REAL300020057312	1	41	-2.0	-93.84	353.89	5.18	-88.66
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(O)C(=O)[O-]	REAL300020057313	0	34	-2.0	-81.95	299.21	0.02	-81.93
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(O)C(=O)[O-]	REAL300020057313	1	34	-2.0	-81.95	299.28	0.03	-81.92
CN1C=CN=C1CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020057314	0	37	-2.0	-104.35	329.49	3.55	-100.80
CN1C=CN=C1CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020057314	1	37	-2.0	-104.40	329.55	3.56	-100.84
CN1C=CN=C1CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057315	0	37	-2.0	-94.54	339.46	3.26	-91.28
CN1C=CN=C1CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057315	1	37	-2.0	-94.47	339.52	3.27	-91.20
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020057316	0	37	-2.0	-101.19	343.05	6.07	-95.12
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020057316	1	37	-2.0	-101.20	343.11	6.08	-95.12
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(Cl)=C1	REAL300020057317	0	37	-2.0	-87.62	346.78	5.06	-82.56
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(Cl)=C1	REAL300020057317	1	37	-2.0	-87.60	346.84	5.06	-82.54
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1	REAL300020057318	0	35	-2.0	-89.03	307.55	1.05	-87.98
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1	REAL300020057318	1	35	-2.0	-88.92	307.61	1.05	-87.87
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020057319	0	28	-2.0	-90.38	272.71	1.20	-89.18
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020057319	1	28	-2.0	-90.30	272.78	1.22	-89.08
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)CCCC3=N[N-]N=N3)CCC2=C1	REAL300020057320	0	42	-2.0	-100.81	358.22	3.60	-97.21
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)CCCC3=NN=N[N-]3)CCC2=C1	REAL300020057320	1	42	-2.0	-100.80	358.28	3.61	-97.19
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC2=C1	REAL300020057321	0	42	-2.0	-88.50	368.82	3.39	-85.11
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC2=C1	REAL300020057321	1	42	-2.0	-88.50	368.89	3.40	-85.10
C=CCC1(C(=O)[O-])CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020057322	0	41	-2.0	-103.23	330.74	6.03	-97.20
C=CCC1(C(=O)[O-])CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020057322	1	41	-2.0	-103.24	330.80	6.04	-97.20
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057323	0	41	-2.0	-83.29	334.16	6.11	-77.18
C=CCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057323	1	41	-2.0	-83.28	334.21	6.12	-77.16
O=C([O-])C1=CC2=C(CN(C(=O)CCCC3=N[N-]N=N3)CC2)S1	REAL300020057324	0	35	-2.0	-97.23	315.07	5.55	-91.68
O=C([O-])C1=CC2=C(CN(C(=O)CCCC3=NN=N[N-]3)CC2)S1	REAL300020057324	1	35	-2.0	-97.26	315.12	5.56	-91.70
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)S1	REAL300020057325	0	35	-2.0	-89.38	322.49	5.83	-83.55
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)S1	REAL300020057325	1	35	-2.0	-89.41	322.56	5.84	-83.57
O=C([O-])COC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057326	0	41	-2.0	-100.42	343.92	3.74	-96.68
O=C([O-])COC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057326	1	41	-2.0	-100.41	343.97	3.75	-96.66
O=C([O-])COC1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057327	0	41	-2.0	-91.92	350.09	3.96	-87.96
O=C([O-])COC1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057327	1	41	-2.0	-91.88	350.15	3.97	-87.91
O=C([O-])C(CC1CC=CCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057328	0	41	-2.0	-106.16	341.49	5.45	-100.71
O=C([O-])C(CC1CC=CCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057328	1	41	-2.0	-106.14	341.54	5.46	-100.68
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057329	0	41	-2.0	-91.03	347.36	6.05	-84.98
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057329	1	41	-2.0	-91.01	347.43	6.06	-84.95
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL300020057330	0	34	-2.0	-91.15	303.73	3.14	-88.01
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL300020057330	1	34	-2.0	-91.13	303.80	3.15	-87.98
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])CC(C)(C)O1	REAL300020057331	0	47	-2.0	-109.84	362.20	5.34	-104.50
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])CC(C)(C)O1	REAL300020057331	1	47	-2.0	-109.86	362.25	5.34	-104.52
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])CC(C)(C)O1	REAL300020057332	0	47	-2.0	-93.43	372.80	5.15	-88.28
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])CC(C)(C)O1	REAL300020057332	1	47	-2.0	-93.45	372.87	5.16	-88.29
C=CCC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057333	0	41	-2.0	-95.82	324.90	5.45	-90.37
C=CCC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057333	1	41	-2.0	-95.87	324.96	5.46	-90.41
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057334	0	41	-2.0	-85.80	332.60	5.69	-80.11
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057334	1	41	-2.0	-85.75	332.67	5.70	-80.05
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CC2=C1C=CC=C2C(F)(F)F	REAL300020057335	0	41	-2.0	-95.65	350.72	6.85	-88.80
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CC2=C1C=CC=C2C(F)(F)F	REAL300020057335	1	41	-2.0	-95.66	350.77	6.87	-88.79
O=C([O-])CCC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057336	0	37	-2.0	-85.55	328.12	3.79	-81.76
O=C([O-])CCC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057336	1	37	-2.0	-85.54	328.18	3.79	-81.75
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300020057337	0	40	-2.0	-92.60	338.06	4.57	-88.03
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300020057337	1	40	-2.0	-92.59	338.12	4.58	-88.01
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC1	REAL300020057338	0	34	-2.0	-91.15	303.73	3.14	-88.01
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC1	REAL300020057338	1	34	-2.0	-91.13	303.80	3.15	-87.98
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020057339	0	35	-2.0	-87.31	322.95	4.08	-83.23
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020057339	1	35	-2.0	-87.30	323.01	4.09	-83.21
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057340	0	35	-2.0	-85.55	333.63	3.88	-81.67
O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057340	1	35	-2.0	-85.59	333.56	3.87	-81.72
CC(C)OC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C(=O)[O-])=C1	REAL300020057341	0	41	-2.0	-92.97	348.17	5.22	-87.75
CC(C)OC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C(=O)[O-])=C1	REAL300020057341	1	41	-2.0	-93.02	348.23	5.23	-87.79
CC(C)OC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C(=O)[O-])=C1	REAL300020057342	0	41	-2.0	-93.39	358.74	5.03	-88.36
CC(C)OC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C(=O)[O-])=C1	REAL300020057342	1	41	-2.0	-93.37	358.67	5.02	-88.35
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057343	0	36	-2.0	-85.69	317.42	3.32	-82.37
CCC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057343	1	36	-2.0	-85.69	317.49	3.33	-82.36
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057344	0	46	-2.0	-105.92	364.11	6.27	-99.65
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057344	1	46	-2.0	-105.90	364.17	6.28	-99.62
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057345	0	46	-2.0	-86.58	376.80	5.84	-80.74
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057345	1	46	-2.0	-86.55	376.87	5.85	-80.70
O=C([O-])C[C@H](CC1CCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057346	0	46	-2.0	-104.21	365.86	6.05	-98.16
O=C([O-])C[C@H](CC1CCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057346	1	46	-2.0	-104.24	365.91	6.07	-98.17
O=C([O-])C[C@H](CC1CCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057347	0	46	-2.0	-86.94	376.52	5.73	-81.21
O=C([O-])C[C@H](CC1CCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057347	1	46	-2.0	-86.90	376.59	5.74	-81.16
CC(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057348	0	36	-2.0	-90.37	312.53	3.38	-86.99
CC(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057348	1	36	-2.0	-90.38	312.60	3.39	-86.99
O=C([O-])CC(CC1CCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057349	0	43	-2.0	-103.58	345.06	6.03	-97.55
O=C([O-])CC(CC1CCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057349	1	43	-2.0	-103.61	345.12	6.04	-97.57
O=C([O-])CC(CC1CCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057350	0	43	-2.0	-86.84	360.13	5.16	-81.68
O=C([O-])CC(CC1CCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057350	1	43	-2.0	-86.86	360.20	5.16	-81.70
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057351	0	39	-2.0	-88.84	321.61	3.40	-85.44
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057351	1	39	-2.0	-88.85	321.68	3.40	-85.45
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C(=O)[O-]	REAL300020057352	0	34	-2.0	-96.23	290.93	4.83	-91.40
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C(=O)[O-]	REAL300020057352	1	34	-2.0	-96.19	291.00	4.82	-91.37
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057353	0	38	-2.0	-83.22	328.10	5.17	-78.05
C=CCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057353	1	38	-2.0	-83.21	328.18	5.18	-78.03
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057354	0	36	-2.0	-85.82	317.68	3.31	-82.51
CCC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057354	1	36	-2.0	-85.80	317.75	3.32	-82.48
O=C(CCCC1=N[N-]N=N1)NC(CC1CCCCO1)C(=O)[O-]	REAL300020057355	0	41	-2.0	-105.32	341.04	4.04	-101.28
O=C(CCCC1=NN=N[N-]1)NC(CC1CCCCO1)C(=O)[O-]	REAL300020057355	1	41	-2.0	-105.29	341.09	4.06	-101.23
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057356	0	41	-2.0	-93.24	352.76	3.34	-89.90
O=C([O-])C(CC1CCCCO1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057356	1	41	-2.0	-93.32	352.83	3.34	-89.98
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCC1=N[N-]N=N1	REAL300020057357	0	41	-2.0	-119.87	313.81	6.03	-113.84
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCC1=NN=N[N-]1	REAL300020057357	1	41	-2.0	-119.84	313.87	6.05	-113.79
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057358	0	41	-2.0	-103.51	320.31	6.33	-97.18
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057358	1	41	-2.0	-103.48	320.38	6.34	-97.14
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)OC=C1	REAL300020057359	0	31	-2.0	-92.74	297.31	1.94	-90.80
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)OC=C1	REAL300020057359	1	31	-2.0	-92.74	297.38	1.94	-90.80
O=C([O-])C1=CC2=C(CN(C(=O)CCCC3=N[N-]N=N3)CC2)S1	REAL300020057360	0	35	-2.0	-97.23	315.07	5.55	-91.68
O=C([O-])C1=CC2=C(CN(C(=O)CCCC3=NN=N[N-]3)CC2)S1	REAL300020057360	1	35	-2.0	-97.26	315.12	5.56	-91.70
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)S1	REAL300020057361	0	35	-2.0	-89.38	322.49	5.83	-83.55
O=C([O-])C1=CC2=C(CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)S1	REAL300020057361	1	35	-2.0	-89.41	322.56	5.84	-83.57
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057364	0	37	-2.0	-97.96	304.12	5.93	-92.03
O=C([O-])C[C@H]1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057364	1	37	-2.0	-97.91	304.19	5.94	-91.97
O=C([O-])CCC(CNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL300020057365	0	36	-2.0	-96.19	320.87	3.77	-92.42
O=C([O-])CCC(CNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL300020057365	1	36	-2.0	-96.22	320.92	3.78	-92.44
O=C([O-])CCC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)(F)F	REAL300020057366	0	36	-2.0	-82.90	331.82	3.56	-79.34
O=C([O-])CCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)(F)F	REAL300020057366	1	36	-2.0	-82.86	331.89	3.57	-79.29
O=C([O-])CCN1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020057367	0	34	-2.0	-83.19	316.28	3.41	-79.78
O=C([O-])CCN1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020057367	1	34	-2.0	-83.14	316.35	3.44	-79.70
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300020057368	0	37	-3.0	-185.14	318.15	5.12	-180.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300020057368	1	37	-3.0	-185.13	318.21	5.14	-179.99
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057369	0	37	-3.0	-178.53	324.75	5.31	-173.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057369	1	37	-3.0	-178.45	324.81	5.31	-173.14
O=C([O-])C1CCC(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020057370	0	41	-2.0	-93.91	335.22	5.67	-88.24
O=C([O-])C1CCC(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020057370	1	41	-2.0	-93.93	335.28	5.69	-88.24
O=C([O-])C1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C21	REAL300020057371	0	41	-2.0	-91.83	349.23	5.58	-86.25
O=C([O-])C1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C21	REAL300020057371	1	41	-2.0	-91.80	349.31	5.58	-86.22
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])CCO1	REAL300020057372	0	41	-2.0	-110.68	318.85	3.88	-106.80
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])CCO1	REAL300020057372	1	41	-2.0	-110.71	318.91	3.90	-106.81
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])CCO1	REAL300020057373	0	41	-2.0	-92.82	329.40	3.68	-89.14
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])CCO1	REAL300020057373	1	41	-2.0	-92.77	329.47	3.69	-89.08
O=C([O-])CC(CNC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL300020057374	0	33	-2.0	-94.06	299.25	3.00	-91.06
O=C([O-])CC(CNC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL300020057374	1	33	-2.0	-94.07	299.31	3.02	-91.05
O=C([O-])CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)(F)F	REAL300020057375	0	33	-2.0	-81.27	309.87	2.79	-78.48
O=C([O-])CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)(F)F	REAL300020057375	1	33	-2.0	-81.21	309.94	2.79	-78.42
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057376	0	43	-2.0	-107.15	367.41	6.89	-100.26
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057376	1	43	-2.0	-107.15	367.47	6.91	-100.24
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057377	0	43	-2.0	-87.76	377.33	6.35	-81.41
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057377	1	43	-2.0	-87.70	377.39	6.36	-81.34
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057378	0	43	-2.0	-105.43	366.99	6.54	-98.89
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057378	1	43	-2.0	-105.45	367.05	6.56	-98.89
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057379	0	43	-2.0	-87.82	377.59	6.34	-81.48
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057379	1	43	-2.0	-87.81	377.66	6.35	-81.46
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057380	0	31	-2.0	-94.27	293.84	2.49	-91.78
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057380	1	31	-2.0	-94.30	293.77	2.48	-91.82
O=C([O-])C1=CC=C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300020057381	0	38	-2.0	-124.19	318.13	6.54	-117.65
O=C([O-])C1=CC=C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300020057381	1	38	-2.0	-124.22	318.19	6.55	-117.67
O=C([O-])C1=CC=C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300020057382	0	38	-2.0	-99.73	325.83	6.85	-92.88
O=C([O-])C1=CC=C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300020057382	1	38	-2.0	-99.75	325.89	6.85	-92.90
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL300020057383	0	36	-2.0	-103.72	317.74	3.76	-99.96
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL300020057383	1	36	-2.0	-103.72	317.80	3.78	-99.94
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=N1	REAL300020057384	0	36	-2.0	-94.67	332.57	3.26	-91.41
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=N1	REAL300020057384	1	36	-2.0	-94.59	332.64	3.27	-91.32
O=C([O-])CC1=CC=C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300020057385	0	41	-2.0	-118.46	340.54	7.40	-111.06
O=C([O-])CC1=CC=C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300020057385	1	41	-2.0	-118.49	340.60	7.42	-111.07
O=C([O-])CC1=CC=C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=C1	REAL300020057386	0	41	-2.0	-94.28	347.94	7.62	-86.66
O=C([O-])CC1=CC=C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=C1	REAL300020057386	1	41	-2.0	-94.25	348.00	7.63	-86.62
O=C([O-])CC1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL300020057387	0	33	-2.0	-98.65	313.73	2.00	-96.65
O=C([O-])CC1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL300020057387	1	33	-2.0	-98.67	313.79	2.02	-96.65
O=C([O-])CC1=CSC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020057388	0	33	-2.0	-93.95	324.31	1.81	-92.14
O=C([O-])CC1=CSC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020057388	1	33	-2.0	-93.98	324.38	1.81	-92.17
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)CCCC1=N[N-]N=N1	REAL300020057389	0	40	-2.0	-107.59	365.41	6.59	-101.00
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)CCCC1=NN=N[N-]1	REAL300020057389	1	40	-2.0	-107.60	365.47	6.61	-100.99
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057390	0	40	-2.0	-91.45	368.89	6.60	-84.85
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057390	1	40	-2.0	-91.46	368.94	6.62	-84.84
O=C(CCCC1=N[N-]N=N1)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300020057391	0	36	-2.0	-100.86	316.47	2.26	-98.60
O=C(CCCC1=NN=N[N-]1)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300020057391	1	36	-2.0	-100.86	316.53	2.27	-98.59
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057392	0	36	-2.0	-94.98	324.87	1.82	-93.16
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057392	1	36	-2.0	-94.97	324.92	1.81	-93.16
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057393	0	37	-2.0	-92.98	309.03	4.91	-88.07
CC1CCC(C(=O)[O-])CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057393	1	37	-2.0	-92.94	309.10	4.92	-88.02
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020057394	0	34	-2.0	-89.97	303.23	3.50	-86.47
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020057394	1	34	-2.0	-89.96	303.29	3.50	-86.46
O=C([O-])CCCCC(NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL300020057395	0	39	-2.0	-94.87	347.63	4.82	-90.05
O=C([O-])CCCCC(NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL300020057395	1	39	-2.0	-94.88	347.69	4.84	-90.04
O=C([O-])CCCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)(F)F	REAL300020057396	0	39	-2.0	-85.91	358.22	4.62	-81.29
O=C([O-])CCCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)(F)F	REAL300020057396	1	39	-2.0	-85.88	358.29	4.62	-81.26
O=C([O-])CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1	REAL300020057397	0	38	-2.0	-91.64	324.75	1.87	-89.77
O=C([O-])CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1	REAL300020057397	1	38	-2.0	-91.61	324.82	1.87	-89.74
O=C([O-])CC1CC2(CCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL300020057398	0	41	-2.0	-105.28	332.96	5.85	-99.43
O=C([O-])CC1CC2(CCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL300020057398	1	41	-2.0	-105.30	333.02	5.87	-99.43
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057399	0	41	-2.0	-87.12	339.80	5.98	-81.14
O=C([O-])CC1CC2(CCC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057399	1	41	-2.0	-87.08	339.87	5.98	-81.10
O=C([O-])C1=CC(CNC(=O)CCCC2=N[N-]N=N2)=C(Cl)S1	REAL300020057400	0	31	-2.0	-91.81	314.00	3.66	-88.15
O=C([O-])C1=CC(CNC(=O)CCCC2=NN=N[N-]2)=C(Cl)S1	REAL300020057400	1	31	-2.0	-91.83	314.06	3.67	-88.16
O=C([O-])C1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C(Cl)S1	REAL300020057401	0	31	-2.0	-83.30	324.58	3.45	-79.85
O=C([O-])C1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C(Cl)S1	REAL300020057401	1	31	-2.0	-83.27	324.65	3.45	-79.82
CC1=CC=CC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2C(=O)[O-]	REAL300020057402	0	41	-2.0	-111.38	338.67	7.01	-104.37
CC1=CC=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2C(=O)[O-]	REAL300020057402	1	41	-2.0	-111.41	338.73	7.03	-104.38
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2C(=O)[O-]	REAL300020057403	0	41	-2.0	-104.05	341.84	7.87	-96.18
CC1=CC=CC2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2C(=O)[O-]	REAL300020057403	1	41	-2.0	-103.97	341.89	7.88	-96.09
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057404	0	38	-2.0	-87.46	327.32	5.66	-81.80
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057404	1	38	-2.0	-87.42	327.39	5.66	-81.76
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057405	0	39	-2.0	-90.47	324.19	3.87	-86.60
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057405	1	39	-2.0	-90.43	324.26	3.87	-86.56
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057406	0	39	-2.0	-90.45	324.19	3.86	-86.59
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057406	1	39	-2.0	-90.45	324.27	3.87	-86.58
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300020057407	0	38	-2.0	-99.11	328.54	6.35	-92.76
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300020057407	1	38	-2.0	-99.10	328.60	6.36	-92.74
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057408	0	38	-2.0	-97.32	335.88	6.60	-90.72
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057408	1	38	-2.0	-97.31	335.95	6.60	-90.71
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057409	0	35	-2.0	-103.38	296.36	5.44	-97.94
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057409	1	35	-2.0	-103.39	296.43	5.44	-97.95
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020057410	0	35	-2.0	-89.14	309.68	1.78	-87.36
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020057410	1	35	-2.0	-89.13	309.74	1.80	-87.33
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057411	0	35	-2.0	-79.02	316.34	2.03	-76.99
O=C([O-])C(F)(F)C1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057411	1	35	-2.0	-79.02	316.41	2.03	-76.99
O=C([O-])C1(O)CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057412	0	35	-2.0	-84.14	302.33	1.94	-82.20
O=C([O-])C1(O)CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057412	1	35	-2.0	-84.14	302.40	1.94	-82.20
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300020057413	0	39	-2.0	-101.15	329.89	3.67	-97.48
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300020057413	1	39	-2.0	-101.22	329.95	3.68	-97.54
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057414	0	39	-2.0	-90.12	337.47	3.91	-86.21
O=C([O-])C1=NOC2(C1)CCCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057414	1	39	-2.0	-90.09	337.55	3.91	-86.18
COC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1C(=O)[O-]	REAL300020057415	0	38	-2.0	-88.50	326.05	3.41	-85.09
COC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1C(=O)[O-]	REAL300020057415	1	38	-2.0	-88.53	326.11	3.42	-85.11
O=C([O-])C(CC1CC=CCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057416	0	41	-2.0	-106.16	341.49	5.45	-100.71
O=C([O-])C(CC1CC=CCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057416	1	41	-2.0	-106.14	341.54	5.46	-100.68
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057417	0	41	-2.0	-91.03	347.36	6.05	-84.98
O=C([O-])C(CC1CC=CCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057417	1	41	-2.0	-91.01	347.43	6.06	-84.95
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057418	0	37	-2.0	-106.62	333.64	5.39	-101.23
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057418	1	37	-2.0	-106.56	333.70	5.40	-101.16
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057419	0	37	-2.0	-91.33	344.17	5.20	-86.13
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057419	1	37	-2.0	-91.32	344.24	5.21	-86.11
COC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])C1	REAL300020057420	0	35	-2.0	-94.89	314.00	1.92	-92.97
COC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])C1	REAL300020057420	1	35	-2.0	-94.86	314.06	1.93	-92.93
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(F)(F)C1	REAL300020057421	0	31	-2.0	-90.60	289.22	2.99	-87.61
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(F)(F)C1	REAL300020057421	1	31	-2.0	-90.55	289.29	2.99	-87.56
CO[C@H]1C[C@](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C(=O)[O-])C1	REAL300020057422	0	35	-2.0	-95.29	312.45	2.22	-93.07
CO[C@H]1C[C@](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C(=O)[O-])C1	REAL300020057422	1	35	-2.0	-95.28	312.52	2.23	-93.05
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1(C(F)(F)F)CC1	REAL300020057423	0	34	-2.0	-103.12	310.03	3.83	-99.29
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1(C(F)(F)F)CC1	REAL300020057423	1	34	-2.0	-103.11	310.09	3.85	-99.26
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(C(F)(F)F)CC1	REAL300020057424	0	34	-2.0	-86.73	319.89	3.63	-83.10
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(C(F)(F)F)CC1	REAL300020057424	1	34	-2.0	-86.66	319.96	3.63	-83.03
O=C([O-])C1(C2=CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CCOCC1	REAL300020057425	0	46	-2.0	-100.38	352.01	4.86	-95.52
O=C([O-])C1(C2=CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CCOCC1	REAL300020057425	1	46	-2.0	-100.39	352.07	4.87	-95.52
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CCOCC1	REAL300020057426	0	46	-2.0	-89.89	365.71	5.32	-84.57
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CCOCC1	REAL300020057426	1	46	-2.0	-89.86	365.78	5.35	-84.51
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020057427	0	36	-3.0	-161.87	314.01	4.66	-157.21
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020057427	1	36	-3.0	-161.87	314.06	4.67	-157.20
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057428	0	36	-3.0	-159.44	320.77	4.79	-154.65
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057428	1	36	-3.0	-159.35	320.84	4.80	-154.55
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057429	0	37	-2.0	-96.88	308.40	6.25	-90.63
CCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057429	1	37	-2.0	-96.87	308.47	6.26	-90.61
O=C([O-])C12CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(C1)C2	REAL300020057430	0	35	-2.0	-87.06	317.32	3.50	-83.56
O=C([O-])C12CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(C1)C2	REAL300020057430	1	35	-2.0	-87.00	317.39	3.51	-83.49
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020057431	0	35	-2.0	-105.56	320.37	3.53	-102.03
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020057431	1	35	-2.0	-105.59	320.43	3.54	-102.05
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057432	0	35	-2.0	-85.62	331.03	3.32	-82.30
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057432	1	35	-2.0	-85.65	330.97	3.31	-82.34
CC1(C)OC2(CNC(=O)CCCC3=N[N-]N=N3)CC1(C(=O)[O-])C2	REAL300020057433	0	42	-2.0	-91.17	346.28	2.66	-88.51
CC1(C)OC2(CNC(=O)CCCC3=NN=N[N-]3)CC1(C(=O)[O-])C2	REAL300020057433	1	42	-2.0	-91.21	346.34	2.67	-88.54
CC1(C)OC2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC1(C(=O)[O-])C2	REAL300020057434	0	42	-2.0	-82.52	356.87	2.46	-80.06
CC1(C)OC2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC1(C(=O)[O-])C2	REAL300020057434	1	42	-2.0	-82.44	356.94	2.46	-79.98
O=C([O-])COCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020057435	0	41	-2.0	-99.49	340.62	4.89	-94.60
O=C([O-])COCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020057435	1	41	-2.0	-99.49	340.68	4.90	-94.59
O=C([O-])COCC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057436	0	41	-2.0	-93.08	348.95	5.07	-88.01
O=C([O-])COCC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057436	1	41	-2.0	-93.07	349.02	5.08	-87.99
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CCCC1=N[N-]N=N1	REAL300020057437	0	37	-2.0	-107.02	320.90	6.73	-100.29
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CCCC1=NN=N[N-]1	REAL300020057437	1	37	-2.0	-106.98	320.96	6.75	-100.23
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057438	0	37	-2.0	-97.85	324.07	7.00	-90.85
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057438	1	37	-2.0	-97.81	324.14	7.01	-90.80
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC=CS1	REAL300020057439	0	33	-2.0	-98.41	312.49	2.31	-96.10
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC=CS1	REAL300020057439	1	33	-2.0	-98.42	312.54	2.33	-96.09
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CS1	REAL300020057440	0	33	-2.0	-91.13	323.00	2.09	-89.04
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CS1	REAL300020057440	1	33	-2.0	-91.09	323.07	2.09	-89.00
CC1=NN(C)C=C1CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020057441	0	40	-2.0	-108.88	351.91	3.63	-105.25
CC1=NN(C)C=C1CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020057441	1	40	-2.0	-108.90	351.97	3.65	-105.25
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057442	0	40	-2.0	-92.89	363.22	3.41	-89.48
CC1=NN(C)C=C1CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057442	1	40	-2.0	-92.89	363.29	3.42	-89.47
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057443	0	30	-2.0	-85.88	295.32	2.79	-83.09
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057443	1	30	-2.0	-85.85	295.39	2.80	-83.05
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057444	0	38	-2.0	-90.32	331.06	1.85	-88.47
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057444	1	38	-2.0	-90.26	331.13	1.86	-88.40
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)CCCC3=N[N-]N=N3)CC1)O2	REAL300020057445	0	46	-2.0	-100.21	361.75	5.04	-95.17
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)CCCC3=NN=N[N-]3)CC1)O2	REAL300020057445	1	46	-2.0	-100.23	361.81	5.05	-95.18
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC1)O2	REAL300020057446	0	46	-2.0	-90.25	369.14	5.17	-85.08
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC1)O2	REAL300020057446	1	46	-2.0	-90.15	369.21	5.17	-84.98
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057447	0	37	-2.0	-84.93	313.48	4.89	-80.04
CC1CC(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057447	1	37	-2.0	-84.88	313.55	4.89	-79.99
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Br	REAL300020057448	0	31	-2.0	-100.68	297.87	4.40	-96.28
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Br	REAL300020057448	1	31	-2.0	-100.70	297.93	4.42	-96.28
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1Br	REAL300020057449	0	31	-2.0	-83.71	308.22	4.22	-79.49
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1Br	REAL300020057449	1	31	-2.0	-83.74	308.15	4.20	-79.54
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057450	0	41	-2.0	-102.15	337.20	6.33	-95.82
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057450	1	41	-2.0	-102.16	337.26	6.35	-95.81
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057451	0	41	-2.0	-88.43	344.90	6.58	-81.85
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057451	1	41	-2.0	-88.43	344.96	6.58	-81.85
O=C([O-])C1(C2CCOCC2)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020057452	0	45	-2.0	-98.44	348.06	4.08	-94.36
O=C([O-])C1(C2CCOCC2)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020057452	1	45	-2.0	-98.43	348.12	4.10	-94.33
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057453	0	45	-2.0	-97.12	357.17	4.51	-92.61
O=C([O-])C1(C2CCOCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057453	1	45	-2.0	-97.12	357.24	4.53	-92.59
C=CCC1(C(=O)[O-])CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL300020057454	0	39	-2.0	-103.89	325.14	4.65	-99.24
C=CCC1(C(=O)[O-])CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL300020057454	1	39	-2.0	-103.90	325.20	4.66	-99.24
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300020057455	0	39	-2.0	-87.06	332.74	4.89	-82.17
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300020057455	1	39	-2.0	-87.07	332.81	4.90	-82.17
COC1=CC=C([C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300020057456	0	45	-2.0	-92.33	377.39	6.13	-86.20
COC1=CC=C([C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]2C(=O)[O-])C=C1	REAL300020057456	1	45	-2.0	-92.30	377.44	6.15	-86.15
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300020057457	0	45	-2.0	-85.83	384.83	6.35	-79.48
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300020057457	1	45	-2.0	-85.82	384.89	6.37	-79.45
O=C([O-])C12CCCC1N(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020057458	0	38	-2.0	-95.38	314.23	5.33	-90.05
O=C([O-])C12CCCC1N(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020057458	1	38	-2.0	-95.35	314.30	5.33	-90.02
CC1=NC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300020057459	0	33	-2.0	-88.51	303.77	2.46	-86.05
CC1=NC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300020057459	1	33	-2.0	-88.46	303.84	2.46	-86.00
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL300020057460	0	34	-2.0	-97.45	317.44	3.88	-93.57
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL300020057460	1	34	-2.0	-97.47	317.50	3.90	-93.57
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C(C(=O)[O-])S1	REAL300020057461	0	34	-2.0	-88.94	328.03	3.67	-85.27
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C(C(=O)[O-])S1	REAL300020057461	1	34	-2.0	-88.90	328.10	3.68	-85.22
O=C([O-])C1=CN(CC2CCCN2C(=O)CCCC2=NN=N[N-]2)N=N1	REAL300020057462	0	40	-2.0	-103.95	347.83	3.77	-100.18
O=C([O-])C1=CN(CC2CCCN2C(=O)CCCC2=N[N-]N=N2)N=N1	REAL300020057462	1	40	-2.0	-103.94	347.77	3.76	-100.18
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=N1	REAL300020057463	0	40	-2.0	-88.16	355.92	4.00	-84.16
O=C([O-])C1=CN(CC2CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=N1	REAL300020057463	1	40	-2.0	-88.22	355.85	3.99	-84.23
O=C([O-])C(CC1=CC=CS1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057464	0	34	-2.0	-105.42	319.10	4.39	-101.03
O=C([O-])C(CC1=CC=CS1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057464	1	34	-2.0	-105.41	319.15	4.41	-101.00
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057465	0	34	-2.0	-90.50	330.01	4.11	-86.39
O=C([O-])C(CC1=CC=CS1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057465	1	34	-2.0	-90.43	330.08	4.13	-86.30
COCC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020057466	0	41	-2.0	-111.30	345.94	4.59	-106.71
COCC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300020057466	1	41	-2.0	-111.32	346.00	4.60	-106.72
COCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020057467	0	41	-2.0	-96.60	356.53	4.40	-92.20
COCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020057467	1	41	-2.0	-96.56	356.60	4.41	-92.15
CC(CC(=O)[O-])(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020057468	0	40	-2.0	-98.19	351.19	6.33	-91.86
CC(CC(=O)[O-])(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020057468	1	40	-2.0	-98.27	351.25	6.34	-91.93
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057469	0	40	-2.0	-87.60	335.80	5.44	-82.16
CC1(C)CC(CC(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057469	1	40	-2.0	-87.57	335.87	5.44	-82.13
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL300020057470	0	41	-2.0	-100.08	335.99	5.53	-94.55
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL300020057470	1	41	-2.0	-100.10	336.04	5.54	-94.56
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057471	0	41	-2.0	-92.60	346.59	5.33	-87.27
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057471	1	41	-2.0	-92.60	346.66	5.34	-87.26
CC(CC(=O)[O-])(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CN=C1	REAL300020057472	0	39	-2.0	-102.82	325.15	4.06	-98.76
CC(CC(=O)[O-])(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CN=C1	REAL300020057472	1	39	-2.0	-102.87	325.20	4.07	-98.80
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CN=C1	REAL300020057473	0	39	-2.0	-92.41	335.73	3.85	-88.56
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CN=C1	REAL300020057473	1	39	-2.0	-92.39	335.79	3.85	-88.54
CC(C)C(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057474	0	36	-2.0	-92.26	300.26	3.38	-88.88
CC(C)C(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057474	1	36	-2.0	-92.24	300.33	3.40	-88.84
CC12CC3(C)CC(NC(=O)CCCC4=N[N-]N=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300020057475	0	51	-2.0	-118.09	382.46	6.16	-111.93
CC12CC3(C)CC(NC(=O)CCCC4=NN=N[N-]4)(C1)CC(C(=O)[O-])(C2)C3	REAL300020057475	1	51	-2.0	-118.06	382.53	6.18	-111.88
CC12CC3(C)CC(NC(=O)C4=CC=C(C5=N[N-]N=N5)C=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300020057476	0	51	-2.0	-98.23	393.05	5.96	-92.27
CC12CC3(C)CC(NC(=O)C4=CC=C(C5=NN=N[N-]5)C=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300020057476	1	51	-2.0	-98.23	393.12	5.97	-92.26
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020057477	0	37	-2.0	-101.94	332.73	5.63	-96.31
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300020057477	1	37	-2.0	-101.97	332.79	5.64	-96.33
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(F)=C1	REAL300020057478	0	37	-2.0	-88.70	336.45	4.61	-84.09
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(F)=C1	REAL300020057478	1	37	-2.0	-88.67	336.52	4.61	-84.06
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CC(F)(F)C1	REAL300020057479	0	34	-2.0	-97.07	297.21	4.27	-92.80
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CC(F)(F)C1	REAL300020057479	1	34	-2.0	-97.08	297.27	4.28	-92.80
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(F)(F)C1	REAL300020057480	0	34	-2.0	-87.84	305.11	4.48	-83.36
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(F)(F)C1	REAL300020057480	1	34	-2.0	-87.80	305.17	4.48	-83.32
O=C([O-])C1(C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)CC(F)(F)C1	REAL300020057481	0	44	-2.0	-115.27	354.92	6.48	-108.79
O=C([O-])C1(C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)CC(F)(F)C1	REAL300020057481	1	44	-2.0	-115.26	354.97	6.50	-108.76
O=C([O-])C1(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC(F)(F)C1	REAL300020057482	0	44	-2.0	-80.46	362.18	6.65	-73.81
O=C([O-])C1(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC(F)(F)C1	REAL300020057482	1	44	-2.0	-80.45	362.25	6.66	-73.79
O=C([O-])C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300020057483	0	43	-2.0	-105.51	340.28	5.25	-100.26
O=C([O-])C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300020057483	1	43	-2.0	-105.54	340.34	5.28	-100.26
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300020057484	0	43	-2.0	-87.44	350.89	5.05	-82.39
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300020057484	1	43	-2.0	-87.39	350.97	5.05	-82.34
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057485	0	32	-2.0	-98.26	282.56	5.57	-92.69
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057485	1	32	-2.0	-98.27	282.62	5.57	-92.70
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020057486	0	34	-2.0	-89.97	303.23	3.50	-86.47
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020057486	1	34	-2.0	-89.96	303.29	3.50	-86.46
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057487	0	39	-2.0	-85.87	334.57	3.91	-81.96
CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057487	1	39	-2.0	-85.86	334.64	3.90	-81.96
O=C([O-])C1=CN(CC2CN(C(=O)CCCC3=NN=N[N-]3)CCO2)N=N1	REAL300020057488	0	41	-2.0	-103.56	356.89	2.12	-101.44
O=C([O-])C1=CN(CC2CN(C(=O)CCCC3=N[N-]N=N3)CCO2)N=N1	REAL300020057488	1	41	-2.0	-103.57	356.83	2.11	-101.46
O=C([O-])C1=CN(CC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCO2)N=N1	REAL300020057489	0	41	-2.0	-93.26	362.98	2.50	-90.76
O=C([O-])C1=CN(CC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCO2)N=N1	REAL300020057489	1	41	-2.0	-93.26	362.92	2.49	-90.77
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057490	0	39	-2.0	-85.73	335.17	3.96	-81.77
CC(C)C[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057490	1	39	-2.0	-85.72	335.24	3.96	-81.76
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057491	0	34	-2.0	-98.31	317.44	3.10	-95.21
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057491	1	34	-2.0	-98.31	317.51	3.11	-95.20
O=C([O-])[C@@H](CC1=CN=CN1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057491	1	34	-2.0	-91.18	319.18	2.50	-88.68
O=C([O-])CC1CCN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020057492	0	41	-2.0	-92.03	331.74	6.98	-85.05
O=C([O-])CC1CCN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020057492	1	41	-2.0	-92.09	331.80	6.99	-85.10
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C21	REAL300020057493	0	41	-2.0	-87.37	340.18	7.40	-79.97
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C21	REAL300020057493	1	41	-2.0	-87.33	340.25	7.42	-79.91
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020057494	0	38	-2.0	-87.25	325.35	6.64	-80.61
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020057494	1	38	-2.0	-87.24	325.41	6.66	-80.58
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057495	0	38	-2.0	-89.13	332.03	6.86	-82.27
O=C([O-])C1CC2=CC(F)=CC=C2N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057495	1	38	-2.0	-89.05	332.10	6.87	-82.18
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=N1	REAL300020057496	0	43	-2.0	-97.89	368.79	5.52	-92.37
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300020057496	1	43	-2.0	-97.96	368.84	5.53	-92.43
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=N1	REAL300020057497	0	43	-2.0	-86.39	376.46	5.77	-80.62
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=N1	REAL300020057497	1	43	-2.0	-86.32	376.53	5.77	-80.55
O=C([O-])C1=NNN=C1C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300020057498	0	37	-2.0	-112.87	322.64	1.95	-110.92
O=C([O-])C1=NNN=C1C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300020057498	1	37	-2.0	-112.88	322.69	1.97	-110.91
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057499	0	37	-2.0	-92.83	329.95	2.21	-90.62
O=C([O-])C1=NNN=C1C1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057499	1	37	-2.0	-92.73	330.02	2.21	-90.52
CN(C(=O)CCCC1=N[N-]N=N1)C(C(=O)[O-])C1=CC=CN=C1	REAL300020057500	0	36	-2.0	-101.04	307.99	4.03	-97.01
CN(C(=O)CCCC1=NN=N[N-]1)C(C(=O)[O-])C1=CC=CN=C1	REAL300020057500	1	36	-2.0	-101.06	308.05	4.05	-97.01
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C(=O)[O-])C1=CC=CN=C1	REAL300020057501	0	36	-2.0	-88.72	315.97	4.43	-84.29
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C(=O)[O-])C1=CC=CN=C1	REAL300020057501	1	36	-2.0	-88.71	316.04	4.45	-84.26
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)NC=N1	REAL300020057502	0	31	-2.0	-100.87	296.21	1.19	-99.68
O=C([O-])C1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)NC=N1	REAL300020057502	1	31	-2.0	-100.85	296.28	1.19	-99.66
O=C([O-])C1=NN(C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)C=C1	REAL300020057503	0	41	-2.0	-117.16	346.27	4.95	-112.21
O=C([O-])C1=NN(C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)C=C1	REAL300020057503	1	41	-2.0	-117.12	346.21	4.93	-112.19
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C=C1	REAL300020057504	0	41	-2.0	-101.49	353.95	5.09	-96.40
O=C([O-])C1=NN(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C=C1	REAL300020057504	1	41	-2.0	-101.53	353.88	5.08	-96.45
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057505	0	35	-2.0	-97.71	299.00	5.22	-92.49
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057505	1	35	-2.0	-97.69	299.06	5.23	-92.46
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)CCCC1=N[N-]N=N1	REAL300020057506	0	38	-2.0	-106.63	338.08	2.53	-104.10
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)CCCC1=NN=N[N-]1	REAL300020057506	1	38	-2.0	-106.60	338.14	2.55	-104.05
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057507	0	38	-2.0	-95.22	343.61	2.80	-92.42
O=C([O-])C(CC1=CC=CC=C1O)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057507	1	38	-2.0	-95.19	343.68	2.82	-92.37
CC(C)(C=CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057508	0	34	-2.0	-87.73	301.60	3.03	-84.70
CC(C)(C=CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057508	1	34	-2.0	-87.65	301.67	3.03	-84.62
O=C([O-])[C@H]1CC[C@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057509	0	40	-2.0	-86.63	339.23	4.20	-82.43
O=C([O-])[C@H]1CC[C@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057509	1	40	-2.0	-86.62	339.30	4.21	-82.41
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020057510	0	40	-2.0	-94.62	331.08	6.76	-87.86
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020057510	1	40	-2.0	-94.62	331.14	6.78	-87.84
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057511	0	40	-2.0	-98.52	338.45	7.46	-91.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057511	1	40	-2.0	-98.52	338.52	7.50	-91.02
O=C([O-])C1=C2C=CC(NC(=O)CCCC3=N[N-]N=N3)=CC2=CC=N1	REAL300020057512	0	36	-2.0	-101.29	319.50	4.26	-97.03
O=C([O-])C1=C2C=CC(NC(=O)CCCC3=NN=N[N-]3)=CC2=CC=N1	REAL300020057512	1	36	-2.0	-101.32	319.56	4.27	-97.05
O=C([O-])C1=C2C=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC2=CC=N1	REAL300020057513	0	36	-2.0	-88.07	329.94	4.08	-83.99
O=C([O-])C1=C2C=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC2=CC=N1	REAL300020057513	1	36	-2.0	-88.13	329.87	4.07	-84.06
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057514	0	37	-2.0	-103.46	348.47	5.96	-97.50
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057514	1	37	-2.0	-103.49	348.53	5.98	-97.51
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057515	0	41	-2.0	-108.79	366.42	4.92	-103.87
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057515	1	41	-2.0	-108.82	366.48	4.93	-103.89
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057516	0	34	-2.0	-84.37	301.84	4.46	-79.91
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057516	1	34	-2.0	-84.38	301.91	4.46	-79.92
O=C(CCCC1=N[N-]N=N1)NC(CC1CCCCC1)C(=O)[O-]	REAL300020057517	0	43	-2.0	-106.05	349.17	5.53	-100.52
O=C(CCCC1=NN=N[N-]1)NC(CC1CCCCC1)C(=O)[O-]	REAL300020057517	1	43	-2.0	-106.02	349.23	5.54	-100.48
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057518	0	43	-2.0	-91.64	359.72	5.33	-86.31
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057518	1	43	-2.0	-91.62	359.79	5.33	-86.29
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057519	0	40	-2.0	-105.80	349.37	6.15	-99.65
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057519	1	40	-2.0	-105.85	349.42	6.16	-99.69
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057520	0	40	-2.0	-91.95	360.79	5.91	-86.04
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057520	1	40	-2.0	-91.91	360.86	5.91	-86.00
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057521	0	40	-2.0	-105.90	349.96	6.17	-99.73
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057521	1	40	-2.0	-105.88	350.02	6.18	-99.70
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057522	0	40	-2.0	-91.89	360.79	5.91	-85.98
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057522	1	40	-2.0	-91.90	360.86	5.90	-86.00
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CC2CCC1C2	REAL300020057523	0	41	-2.0	-108.90	331.08	4.96	-103.94
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CC2CCC1C2	REAL300020057523	1	41	-2.0	-108.93	331.14	4.97	-103.96
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC2CCC1C2	REAL300020057524	0	41	-2.0	-93.21	341.00	4.89	-88.32
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC2CCC1C2	REAL300020057524	1	41	-2.0	-93.19	341.07	4.90	-88.29
O=C([O-])CC1(CCNC(=O)CCCC2=N[N-]N=N2)CC1(F)F	REAL300020057525	0	37	-2.0	-94.43	324.86	3.82	-90.61
O=C([O-])CC1(CCNC(=O)CCCC2=NN=N[N-]2)CC1(F)F	REAL300020057525	1	37	-2.0	-94.42	324.92	3.84	-90.58
O=C([O-])CC1(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(F)F	REAL300020057526	0	37	-2.0	-89.20	339.96	3.72	-85.48
O=C([O-])CC1(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(F)F	REAL300020057526	1	37	-2.0	-89.16	340.02	3.73	-85.43
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057527	0	37	-2.0	-90.64	315.05	3.88	-86.76
O=C([O-])[C@H]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057527	1	37	-2.0	-90.55	315.12	3.90	-86.65
CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)[C@H]1CC(=O)[O-]	REAL300020057528	0	47	-2.0	-99.06	386.43	4.27	-94.79
CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)[C@H]1CC(=O)[O-]	REAL300020057528	1	47	-2.0	-99.05	386.48	4.28	-94.77
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H]1CC(=O)[O-]	REAL300020057529	0	47	-2.0	-92.94	396.79	4.05	-88.89
CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H]1CC(=O)[O-]	REAL300020057529	1	47	-2.0	-92.89	396.85	4.07	-88.82
COC1=CC=C([C@H](C)NC(=O)CCCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020057530	0	41	-2.0	-109.59	352.35	4.94	-104.65
COC1=CC=C([C@H](C)NC(=O)CCCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020057530	1	41	-2.0	-109.56	352.41	4.95	-104.61
COC1=CC=C([C@H](C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300020057531	0	41	-2.0	-94.15	362.93	4.74	-89.41
COC1=CC=C([C@H](C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300020057531	1	41	-2.0	-94.14	363.00	4.75	-89.39
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057532	0	37	-2.0	-85.49	328.11	3.77	-81.72
O=C([O-])CC[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057532	1	37	-2.0	-85.46	328.18	3.78	-81.68
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C(=O)[O-]	REAL300020057533	0	34	-2.0	-95.58	297.57	4.68	-90.90
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C(=O)[O-]	REAL300020057533	1	34	-2.0	-95.55	297.64	4.68	-90.87
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1O	REAL300020057534	0	35	-2.0	-87.29	308.38	0.87	-86.42
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1O	REAL300020057534	1	35	-2.0	-87.28	308.45	0.87	-86.41
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057535	0	37	-2.0	-84.64	319.48	3.46	-81.18
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057535	1	37	-2.0	-84.63	319.55	3.48	-81.15
O=C([O-])CCCCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL300020057536	0	48	-2.0	-95.16	398.80	6.62	-88.54
O=C([O-])CCCCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL300020057536	1	48	-2.0	-95.14	398.86	6.63	-88.51
O=C([O-])CCCCCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057537	0	48	-2.0	-84.23	409.39	6.41	-77.82
O=C([O-])CCCCCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057537	1	48	-2.0	-84.27	409.46	6.42	-77.85
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020057538	0	34	-2.0	-112.77	318.25	5.33	-107.44
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020057538	1	34	-2.0	-112.81	318.31	5.34	-107.47
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057539	0	40	-2.0	-94.42	328.75	3.98	-90.44
CC1(C(=O)[O-])CCCCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057539	1	40	-2.0	-94.36	328.82	3.99	-90.37
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020057540	0	34	-2.0	-107.25	303.53	4.81	-102.44
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020057540	1	34	-2.0	-107.23	303.59	4.82	-102.41
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057541	0	34	-2.0	-88.76	314.20	4.60	-84.16
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057541	1	34	-2.0	-88.79	314.13	4.59	-84.20
O=C([O-])CCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057542	0	34	-2.0	-85.21	314.36	1.06	-84.15
O=C([O-])CCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057542	1	34	-2.0	-85.12	314.43	1.07	-84.05
O=C(CCCC1=N[N-]N=N1)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300020057543	0	43	-2.0	-106.03	349.15	5.53	-100.50
O=C(CCCC1=NN=N[N-]1)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300020057543	1	43	-2.0	-106.02	349.21	5.54	-100.48
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057544	0	43	-2.0	-91.43	359.52	5.40	-86.03
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057544	1	43	-2.0	-91.40	359.58	5.40	-86.00
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057545	0	37	-2.0	-86.90	311.01	5.34	-81.56
CC(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057545	1	37	-2.0	-86.90	311.07	5.34	-81.56
CN(CCCCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057546	0	36	-2.0	-85.37	317.09	5.23	-80.14
CN(CCCCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057546	1	36	-2.0	-85.36	317.16	5.26	-80.10
O=C(CCCC1=N[N-]N=N1)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300020057547	0	43	-2.0	-105.73	348.93	5.58	-100.15
O=C(CCCC1=NN=N[N-]1)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300020057547	1	43	-2.0	-105.72	348.99	5.60	-100.12
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057548	0	43	-2.0	-91.67	359.72	5.33	-86.34
O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057548	1	43	-2.0	-91.62	359.79	5.33	-86.29
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057549	0	40	-2.0	-88.43	339.24	4.30	-84.13
CC1(C)C(CC(=O)[O-])CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057549	1	40	-2.0	-88.41	339.30	4.30	-84.11
O=C(CCCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300020057550	0	47	-2.0	-94.18	379.22	2.23	-91.95
O=C(CCCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300020057550	1	47	-2.0	-94.21	379.28	2.24	-91.97
O=C(CCCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300020057551	0	43	-2.0	-91.81	356.90	3.48	-88.33
O=C(CCCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300020057551	1	43	-2.0	-91.78	356.96	3.50	-88.28
O=C([O-])C12CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(C1)OC21CCC1	REAL300020057552	0	43	-2.0	-83.74	368.24	3.28	-80.46
O=C([O-])C12CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(C1)OC21CCC1	REAL300020057552	1	43	-2.0	-83.69	368.31	3.28	-80.41
O=C([O-])C1CC2(CCCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL300020057553	0	41	-2.0	-97.82	328.58	5.81	-92.01
O=C([O-])C1CC2(CCCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL300020057553	1	41	-2.0	-97.80	328.63	5.82	-91.98
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057554	0	41	-2.0	-101.33	336.02	6.42	-94.91
O=C([O-])C1CC2(CCCC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057554	1	41	-2.0	-101.25	336.08	6.42	-94.83
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CCCC1=N[N-]N=N1	REAL300020057555	0	41	-2.0	-115.21	325.80	5.98	-109.23
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CCCC1=NN=N[N-]1	REAL300020057555	1	41	-2.0	-115.26	325.86	5.99	-109.27
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057556	0	41	-2.0	-97.87	334.50	6.08	-91.79
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057556	1	41	-2.0	-97.85	334.56	6.08	-91.77
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(OCC(F)F)C=C1	REAL300020057557	0	41	-2.0	-111.16	369.29	4.95	-106.21
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(OCC(F)F)C=C1	REAL300020057557	1	41	-2.0	-111.12	369.35	4.97	-106.15
COC1=CC=C(CC(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300020057558	0	41	-2.0	-106.13	356.66	4.64	-101.49
COC1=CC=C(CC(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300020057558	1	41	-2.0	-106.10	356.72	4.65	-101.45
COC1=CC=C(CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300020057559	0	41	-2.0	-91.32	367.31	4.44	-86.88
COC1=CC=C(CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300020057559	1	41	-2.0	-91.24	367.38	4.43	-86.81
C=CCSCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057560	0	35	-2.0	-90.05	337.13	3.98	-86.07
C=CCSCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057560	1	35	-2.0	-90.02	337.20	3.99	-86.03
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020057561	0	37	-2.0	-117.62	320.13	5.59	-112.03
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020057561	1	37	-2.0	-117.64	320.18	5.60	-112.04
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057562	0	37	-2.0	-96.10	330.08	5.34	-90.76
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057562	1	37	-2.0	-96.08	330.02	5.34	-90.74
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057563	0	44	-2.0	-99.73	381.82	5.47	-94.26
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057563	1	44	-2.0	-99.77	381.88	5.49	-94.28
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057564	0	44	-2.0	-88.34	389.28	4.84	-83.50
O=C([O-])C[C@H](COCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057564	1	44	-2.0	-88.30	389.35	4.84	-83.46
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057565	0	34	-2.0	-86.12	307.51	0.82	-85.30
COC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057565	1	34	-2.0	-86.13	307.59	0.82	-85.31
COCC1=C(C(=O)[O-])SC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020057566	0	35	-2.0	-104.27	321.95	2.89	-101.38
COCC1=C(C(=O)[O-])SC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020057566	1	35	-2.0	-104.26	322.01	2.90	-101.36
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020057567	0	35	-2.0	-86.39	332.57	2.69	-83.70
COCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020057567	1	35	-2.0	-86.41	332.51	2.69	-83.72
O=C(CCCC1=N[N-]N=N1)NC1=NN2CC(C(=O)[O-])CCC2=N1	REAL300020057568	0	37	-2.0	-93.92	321.93	5.86	-88.06
O=C(CCCC1=NN=N[N-]1)NC1=NN2CC(C(=O)[O-])CCC2=N1	REAL300020057568	1	37	-2.0	-93.92	321.99	5.87	-88.05
O=C([O-])C1CCC2=NC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=NN2C1	REAL300020057569	0	37	-2.0	-81.22	332.51	5.65	-75.57
O=C([O-])C1CCC2=NC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=NN2C1	REAL300020057569	1	37	-2.0	-81.24	332.57	5.67	-75.57
O=C([O-])[C@H]1CCC[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057570	0	37	-2.0	-85.05	320.27	3.49	-81.56
O=C([O-])[C@H]1CCC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057570	1	37	-2.0	-84.99	320.33	3.51	-81.48
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057571	0	37	-2.0	-84.64	319.48	3.46	-81.18
O=C([O-])[C@H]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057571	1	37	-2.0	-84.63	319.55	3.48	-81.15
O=C([O-])C1(CF)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057572	0	34	-2.0	-95.44	301.97	4.25	-91.19
O=C([O-])C1(CF)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057572	1	34	-2.0	-95.37	302.04	4.25	-91.12
O=C([O-])C12CC(CNC(=O)CCCC3=N[N-]N=N3)(C1)OC2C1=CC=CC=C1	REAL300020057573	0	46	-2.0	-94.23	385.59	5.19	-89.04
O=C([O-])C12CC(CNC(=O)CCCC3=NN=N[N-]3)(C1)OC2C1=CC=CC=C1	REAL300020057573	1	46	-2.0	-94.20	385.64	5.21	-88.99
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOC1	REAL300020057574	0	35	-2.0	-89.47	303.55	1.32	-88.15
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOC1	REAL300020057574	1	35	-2.0	-89.44	303.61	1.34	-88.10
O=C([O-])C[C@@H](COCC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057575	0	44	-2.0	-98.91	381.94	5.35	-93.56
O=C([O-])C[C@@H](COCC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057575	1	44	-2.0	-98.93	382.00	5.36	-93.57
O=C([O-])C[C@@H](COCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057576	0	44	-2.0	-88.23	388.69	4.84	-83.39
O=C([O-])C[C@@H](COCC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057576	1	44	-2.0	-88.22	388.75	4.85	-83.37
O=C([O-])C1=CC=C(C2(CNC(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300020057577	0	41	-2.0	-102.20	352.39	5.83	-96.37
O=C([O-])C1=CC=C(C2(CNC(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300020057577	1	41	-2.0	-102.19	352.45	5.84	-96.35
O=C([O-])C1=CC=C(C2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1	REAL300020057578	0	41	-2.0	-93.18	368.15	5.79	-87.39
O=C([O-])C1=CC=C(C2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1	REAL300020057578	1	41	-2.0	-93.22	368.22	5.79	-87.43
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057579	0	37	-2.0	-85.44	320.81	3.51	-81.93
O=C([O-])[C@@H]1CCC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057579	1	37	-2.0	-85.42	320.88	3.52	-81.90
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)CCCC1=N[N-]N=N1	REAL300020057580	0	41	-2.0	-119.36	366.85	5.31	-114.05
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)CCCC1=NN=N[N-]1	REAL300020057580	1	41	-2.0	-119.38	366.91	5.33	-114.05
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057581	0	41	-2.0	-101.18	377.45	5.11	-96.07
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057581	1	41	-2.0	-101.27	377.52	5.12	-96.15
COC1=CC=C2NC=C(CC(NC(=O)CCCC3=N[N-]N=N3)C(=O)[O-])C2=C1	REAL300020057582	0	45	-2.0	-118.40	390.43	4.62	-113.78
COC1=CC=C2NC=C(CC(NC(=O)CCCC3=NN=N[N-]3)C(=O)[O-])C2=C1	REAL300020057582	1	45	-2.0	-118.41	390.48	4.63	-113.78
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057583	0	36	-2.0	-87.17	298.87	5.68	-81.49
CCC(C(=O)[O-])N(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057583	1	36	-2.0	-87.12	298.94	5.68	-81.44
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1CC1=CC=CC=C1	REAL300020057584	0	44	-2.0	-92.21	370.15	7.63	-84.58
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1CC1=CC=CC=C1	REAL300020057584	1	44	-2.0	-92.20	370.21	7.65	-84.55
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1CC1=CC=CC=C1	REAL300020057585	0	44	-2.0	-90.07	375.12	7.76	-82.31
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1CC1=CC=CC=C1	REAL300020057585	1	44	-2.0	-90.02	375.19	7.76	-82.26
COC1(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])CCC1	REAL300020057586	0	38	-2.0	-95.72	327.87	1.91	-93.81
COC1(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])CCC1	REAL300020057586	1	38	-2.0	-95.70	327.94	1.91	-93.79
O=C([O-])C12CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(C1)OC2	REAL300020057587	0	36	-2.0	-83.49	324.87	1.44	-82.05
O=C([O-])C12CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(C1)OC2	REAL300020057587	1	36	-2.0	-83.44	324.94	1.45	-81.99
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CCC(C(F)F)CC1	REAL300020057588	0	40	-2.0	-111.31	330.72	5.55	-105.76
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CCC(C(F)F)CC1	REAL300020057588	1	40	-2.0	-111.30	330.78	5.57	-105.73
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC(C(F)F)CC1	REAL300020057589	0	40	-2.0	-92.36	341.31	5.38	-86.98
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC(C(F)F)CC1	REAL300020057589	1	40	-2.0	-92.34	341.37	5.38	-86.96
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CCC2=CC=CC=C2C1	REAL300020057590	0	41	-2.0	-114.44	336.28	6.66	-107.78
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CCC2=CC=CC=C2C1	REAL300020057590	1	41	-2.0	-114.48	336.34	6.67	-107.81
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC2=CC=CC=C2C1	REAL300020057591	0	41	-2.0	-96.21	346.88	6.46	-89.75
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC2=CC=CC=C2C1	REAL300020057591	1	41	-2.0	-96.23	346.95	6.47	-89.76
C=CCCC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057592	0	44	-2.0	-97.34	345.96	6.25	-91.09
C=CCCC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057592	1	44	-2.0	-97.37	346.02	6.26	-91.11
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057593	0	44	-2.0	-87.23	353.66	6.49	-80.74
C=CCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057593	1	44	-2.0	-87.26	353.73	6.50	-80.76
CC(C)(C)C1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300020057594	0	46	-2.0	-108.24	380.94	6.79	-101.45
CC(C)(C)C1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300020057594	1	46	-2.0	-108.25	381.00	6.81	-101.44
CC(C)(C)C1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300020057595	0	46	-2.0	-95.11	391.77	6.50	-88.61
CC(C)(C)C1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300020057595	1	46	-2.0	-95.13	391.84	6.52	-88.61
CC(C)C1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300020057596	0	43	-2.0	-107.98	364.55	6.37	-101.61
CC(C)C1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300020057596	1	43	-2.0	-108.04	364.61	6.39	-101.65
CC(C)C1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300020057597	0	43	-2.0	-94.97	375.79	6.11	-88.86
CC(C)C1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300020057597	1	43	-2.0	-94.96	375.86	6.13	-88.83
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2N1	REAL300020057598	0	35	-2.0	-94.84	314.93	3.84	-91.00
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2N1	REAL300020057598	1	35	-2.0	-94.85	314.99	3.86	-90.99
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C2N1	REAL300020057599	0	35	-2.0	-87.06	325.54	3.63	-83.43
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C2N1	REAL300020057599	1	35	-2.0	-87.04	325.61	3.64	-83.40
O=C([O-])C1=CC(C2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)=CC=C1	REAL300020057600	0	44	-2.0	-103.87	382.45	7.46	-96.41
O=C([O-])C1=CC(C2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)=CC=C1	REAL300020057600	1	44	-2.0	-103.84	382.51	7.48	-96.36
O=C([O-])CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057601	0	34	-2.0	-86.71	308.45	2.96	-83.75
O=C([O-])CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057601	1	34	-2.0	-86.65	308.52	2.97	-83.68
O=C([O-])C1=CC=C2CC(NC(=O)CCCC3=N[N-]N=N3)CC2=C1	REAL300020057602	0	38	-2.0	-98.95	330.56	5.34	-93.61
O=C([O-])C1=CC=C2CC(NC(=O)CCCC3=NN=N[N-]3)CC2=C1	REAL300020057602	1	38	-2.0	-98.95	330.61	5.35	-93.60
O=C([O-])C1=CC=C2CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2=C1	REAL300020057603	0	38	-2.0	-87.40	341.14	5.13	-82.27
O=C([O-])C1=CC=C2CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2=C1	REAL300020057603	1	38	-2.0	-87.40	341.21	5.13	-82.27
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057604	0	31	-2.0	-92.22	282.01	4.57	-87.65
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057604	1	31	-2.0	-92.23	282.07	4.57	-87.66
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057605	0	33	-2.0	-99.84	289.23	5.34	-94.50
O=C([O-])C1C2C=CC(C2)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057605	1	33	-2.0	-99.80	289.30	5.36	-94.44
CC1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1C(=O)[O-]	REAL300020057606	0	37	-2.0	-97.81	311.70	5.11	-92.70
CC1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1C(=O)[O-]	REAL300020057606	1	37	-2.0	-97.83	311.76	5.11	-92.72
O=C([O-])[C@]12CCN(C(=O)CCCC3=N[N-]N=N3)[C@H]1CCCCC2	REAL300020057607	0	44	-2.0	-108.93	332.74	5.87	-103.06
O=C([O-])[C@]12CCN(C(=O)CCCC3=NN=N[N-]3)[C@H]1CCCCC2	REAL300020057607	1	44	-2.0	-108.94	332.80	5.88	-103.06
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@H]1CCCCC2	REAL300020057608	0	44	-2.0	-92.14	339.17	6.48	-85.66
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@H]1CCCCC2	REAL300020057608	1	44	-2.0	-92.16	339.24	6.48	-85.68
O=C([O-])CC1CC2(CN1C(=O)CCCC1=N[N-]N=N1)CCOCC2	REAL300020057609	0	45	-2.0	-104.87	356.18	4.49	-100.38
O=C([O-])CC1CC2(CN1C(=O)CCCC1=NN=N[N-]1)CCOCC2	REAL300020057609	1	45	-2.0	-104.83	356.23	4.50	-100.33
O=C([O-])CC1CC2(CN1C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCOCC2	REAL300020057610	0	45	-2.0	-86.89	362.27	4.76	-82.13
O=C([O-])CC1CC2(CN1C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCOCC2	REAL300020057610	1	45	-2.0	-86.84	362.34	4.76	-82.08
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C2=C1CCCC2	REAL300020057611	0	41	-2.0	-105.72	335.81	6.46	-99.26
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C2=C1CCCC2	REAL300020057611	1	41	-2.0	-105.74	335.87	6.47	-99.27
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=C1CCCC2	REAL300020057612	0	41	-2.0	-87.58	346.13	6.27	-81.31
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=C1CCCC2	REAL300020057612	1	41	-2.0	-87.61	346.06	6.27	-81.34
O=C([O-])C1CCC2(CCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL300020057613	0	41	-2.0	-119.60	322.98	6.63	-112.97
O=C([O-])C1CCC2(CCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL300020057613	1	41	-2.0	-119.63	323.04	6.65	-112.98
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057614	0	41	-2.0	-99.01	329.50	7.09	-91.92
O=C([O-])C1CCC2(CCC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057614	1	41	-2.0	-98.97	329.56	7.09	-91.88
CCOC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300020057615	0	41	-2.0	-107.06	355.68	4.68	-102.38
CCOC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300020057615	1	41	-2.0	-107.03	355.73	4.69	-102.34
CCOC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1	REAL300020057616	0	41	-2.0	-93.54	366.87	4.42	-89.12
CCOC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1	REAL300020057616	1	41	-2.0	-93.52	366.94	4.43	-89.09
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1CCC2=CC=CC=C21	REAL300020057617	0	41	-2.0	-106.73	339.68	5.94	-100.79
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1CCC2=CC=CC=C21	REAL300020057617	1	41	-2.0	-106.74	339.73	5.95	-100.79
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC2=CC=CC=C21	REAL300020057618	0	41	-2.0	-89.95	353.32	6.46	-83.49
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC2=CC=CC=C21	REAL300020057618	1	41	-2.0	-89.90	353.39	6.46	-83.44
CC(COC1=CC=CC=C1)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300020057619	0	41	-2.0	-115.00	347.40	5.64	-109.36
CC(COC1=CC=CC=C1)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300020057619	1	41	-2.0	-114.97	347.45	5.66	-109.31
CC(COC1=CC=CC=C1)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057620	0	41	-2.0	-97.00	357.98	5.46	-91.54
CC(COC1=CC=CC=C1)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057620	1	41	-2.0	-96.97	358.05	5.47	-91.50
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)CCCC1=N[N-]N=N1	REAL300020057621	0	37	-2.0	-107.95	340.95	5.38	-102.57
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)CCCC1=NN=N[N-]1	REAL300020057621	1	37	-2.0	-107.97	341.01	5.40	-102.57
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057622	0	37	-2.0	-90.85	351.79	5.11	-85.74
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057622	1	37	-2.0	-90.82	351.86	5.12	-85.70
O=C([O-])CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020057623	0	37	-2.0	-94.05	329.71	4.82	-89.23
O=C([O-])CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020057623	1	37	-2.0	-94.03	329.77	4.84	-89.19
O=C([O-])CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020057624	0	37	-2.0	-84.49	340.30	4.61	-79.88
O=C([O-])CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020057624	1	37	-2.0	-84.49	340.37	4.62	-79.87
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(Br)=C1C(=O)[O-]	REAL300020057625	0	35	-2.0	-106.26	325.16	4.49	-101.77
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(Br)=C1C(=O)[O-]	REAL300020057625	1	35	-2.0	-106.29	325.22	4.51	-101.78
O=C([O-])CCC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300020057626	0	40	-2.0	-106.05	344.13	5.65	-100.40
O=C([O-])CCC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300020057626	1	40	-2.0	-106.09	344.19	5.66	-100.43
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057627	0	40	-2.0	-94.06	354.72	5.44	-88.62
O=C([O-])CCC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057627	1	40	-2.0	-94.04	354.79	5.44	-88.60
COCCC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057628	0	44	-2.0	-96.07	345.32	3.99	-92.08
COCCC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057628	1	44	-2.0	-96.08	345.38	4.00	-92.08
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057629	0	44	-2.0	-86.25	354.15	4.17	-82.08
COCCC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057629	1	44	-2.0	-86.27	354.22	4.19	-82.08
CC(C)CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057630	0	39	-2.0	-90.10	339.12	4.21	-85.89
CC(C)CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057630	1	39	-2.0	-90.11	339.19	4.22	-85.89
O=C([O-])C12CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(C1)C2	REAL300020057631	0	32	-2.0	-84.47	295.43	2.53	-81.94
O=C([O-])C12CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(C1)C2	REAL300020057631	1	32	-2.0	-84.45	295.50	2.54	-81.91
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057632	0	40	-2.0	-85.90	340.19	4.10	-81.80
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057632	1	40	-2.0	-85.84	340.26	4.10	-81.74
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057633	0	36	-2.0	-85.67	314.00	3.33	-82.34
CCC(CCC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057633	1	36	-2.0	-85.66	314.06	3.34	-82.32
O=C([O-])C1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057634	0	40	-2.0	-85.88	330.07	3.85	-82.03
O=C([O-])C1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057634	1	40	-2.0	-85.86	330.14	3.87	-81.99
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CC12CCCC2	REAL300020057635	0	41	-2.0	-90.22	325.23	5.47	-84.75
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CC12CCCC2	REAL300020057635	1	41	-2.0	-90.21	325.29	5.48	-84.73
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCCC2	REAL300020057636	0	41	-2.0	-84.65	333.91	5.75	-78.90
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCCC2	REAL300020057636	1	41	-2.0	-84.65	333.97	5.78	-78.87
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057637	0	38	-2.0	-101.00	320.24	5.93	-95.07
O=C([O-])C1CC2(CCC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057637	1	38	-2.0	-100.98	320.31	5.93	-95.05
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057638	0	38	-2.0	-90.32	331.06	1.85	-88.47
O=C([O-])C(CC1CCOC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057638	1	38	-2.0	-90.26	331.13	1.86	-88.40
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057639	0	37	-2.0	-105.60	348.28	6.01	-99.59
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057639	1	37	-2.0	-105.60	348.34	6.02	-99.58
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057640	0	35	-2.0	-91.88	318.60	5.63	-86.25
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057640	1	35	-2.0	-91.91	318.67	5.65	-86.26
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N(C)N=C1C(=O)[O-]	REAL300020057641	0	34	-2.0	-87.95	308.29	2.85	-85.10
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N(C)N=C1C(=O)[O-]	REAL300020057641	1	34	-2.0	-88.00	308.22	2.84	-85.16
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300020057642	0	41	-2.0	-106.59	347.56	3.25	-103.34
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300020057642	1	41	-2.0	-106.58	347.62	3.26	-103.32
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057643	0	41	-2.0	-97.14	358.15	3.04	-94.10
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057643	1	41	-2.0	-97.11	358.21	3.04	-94.07
CO[C@@]1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H](C(=O)[O-])C1	REAL300020057644	0	38	-2.0	-86.22	334.92	1.64	-84.58
CO[C@@]1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H](C(=O)[O-])C1	REAL300020057644	1	38	-2.0	-86.20	334.98	1.65	-84.55
CC1OC2(CNC(=O)CCCC3=N[N-]N=N3)CC1(C(=O)[O-])C2	REAL300020057645	0	39	-2.0	-91.22	329.64	2.21	-89.01
CC1OC2(CNC(=O)CCCC3=NN=N[N-]3)CC1(C(=O)[O-])C2	REAL300020057645	1	39	-2.0	-91.24	329.70	2.22	-89.02
CC1OC2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC1(C(=O)[O-])C2	REAL300020057646	0	39	-2.0	-83.08	340.24	2.01	-81.07
CC1OC2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC1(C(=O)[O-])C2	REAL300020057646	1	39	-2.0	-83.03	340.30	2.01	-81.02
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057647	0	31	-2.0	-94.27	293.84	2.49	-91.78
CN1N=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057647	1	31	-2.0	-94.30	293.77	2.48	-91.82
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(O)C1	REAL300020057648	0	32	-2.0	-91.36	290.23	-0.55	-91.91
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(O)C1	REAL300020057648	1	32	-2.0	-91.34	290.30	-0.55	-91.89
O=C([O-])C1=CC=C2C=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C2=C1	REAL300020057649	0	40	-2.0	-111.00	350.33	6.12	-104.88
O=C([O-])C1=CC=C2C=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C2=C1	REAL300020057649	1	40	-2.0	-111.01	350.38	6.14	-104.87
O=C([O-])C1=CC2=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=CC=C2C=C1	REAL300020057650	0	40	-2.0	-102.06	360.91	5.91	-96.15
O=C([O-])C1=CC2=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=CC=C2C=C1	REAL300020057650	1	40	-2.0	-102.00	360.98	5.92	-96.08
O=C([O-])C1=CN=C2CC(CNC(=O)CCCC3=N[N-]N=N3)CCN12	REAL300020057651	0	41	-2.0	-97.34	347.73	4.12	-93.22
O=C([O-])C1=CN=C2CC(CNC(=O)CCCC3=NN=N[N-]3)CCN12	REAL300020057651	1	41	-2.0	-97.34	347.79	4.13	-93.21
O=C([O-])C1=CN=C2CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCN12	REAL300020057652	0	41	-2.0	-88.71	358.35	3.91	-84.80
O=C([O-])C1=CN=C2CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCN12	REAL300020057652	1	41	-2.0	-88.73	358.41	3.91	-84.82
CC1=C(C(=O)[O-])SC(CCNC(=O)CCCC2=N[N-]N=N2)=N1	REAL300020057653	0	36	-2.0	-99.76	332.76	2.61	-97.15
CC1=C(C(=O)[O-])SC(CCNC(=O)CCCC2=NN=N[N-]2)=N1	REAL300020057653	1	36	-2.0	-99.80	332.82	2.62	-97.18
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300020057654	0	36	-2.0	-85.03	343.36	2.40	-82.63
CC1=C(C(=O)[O-])SC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300020057654	1	36	-2.0	-84.96	343.42	2.41	-82.55
CC1(C)[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1C(=O)[O-]	REAL300020057655	0	37	-2.0	-84.20	316.10	3.35	-80.85
CC1(C)[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1C(=O)[O-]	REAL300020057655	1	37	-2.0	-84.16	316.17	3.36	-80.80
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057656	0	34	-2.0	-88.10	302.87	2.67	-85.43
CC1(C(=O)[O-])CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057656	1	34	-2.0	-88.08	302.94	2.67	-85.41
O=C([O-])C1=CC(C2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=C2)=CC=C1	REAL300020057657	0	44	-2.0	-98.73	381.75	7.44	-91.29
O=C([O-])C1=CC(C2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=C2)=CC=C1	REAL300020057657	1	44	-2.0	-98.75	381.81	7.46	-91.29
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC12CCOCC2	REAL300020057658	0	42	-2.0	-93.23	344.00	3.35	-89.88
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC12CCOCC2	REAL300020057658	1	42	-2.0	-93.24	344.06	3.36	-89.88
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCOCC2	REAL300020057659	0	42	-2.0	-91.99	354.60	3.13	-88.86
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCOCC2	REAL300020057659	1	42	-2.0	-92.01	354.66	3.14	-88.87
CC(C)(C)CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057660	0	42	-2.0	-89.71	350.05	4.00	-85.71
CC(C)(C)CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057660	1	42	-2.0	-89.70	350.12	4.01	-85.69
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL300020057661	0	41	-2.0	-96.56	345.43	5.81	-90.75
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL300020057661	1	41	-2.0	-96.58	345.49	5.82	-90.76
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057662	0	41	-2.0	-95.28	355.91	5.61	-89.67
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057662	1	41	-2.0	-95.24	355.98	5.61	-89.63
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC2CCC1C2	REAL300020057663	0	41	-2.0	-97.39	327.27	4.64	-92.75
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC2CCC1C2	REAL300020057663	1	41	-2.0	-97.42	327.33	4.65	-92.77
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2CCC1C2	REAL300020057664	0	41	-2.0	-93.59	337.86	4.42	-89.17
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2CCC1C2	REAL300020057664	1	41	-2.0	-93.50	337.93	4.43	-89.07
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(CC2)C1	REAL300020057665	0	38	-2.0	-85.29	318.52	5.57	-79.72
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(CC2)C1	REAL300020057665	1	38	-2.0	-85.31	318.58	5.57	-79.74
O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCCC1=N[N-]N=N1)CCC2	REAL300020057666	0	41	-2.0	-104.71	320.08	5.41	-99.30
O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCCC1=NN=N[N-]1)CCC2	REAL300020057666	1	41	-2.0	-104.70	320.14	5.42	-99.28
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCC2	REAL300020057667	0	41	-2.0	-91.55	325.28	5.69	-85.86
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCC2	REAL300020057667	1	41	-2.0	-91.57	325.35	5.69	-85.88
O=C([O-])C12CCC(CC1)CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057668	0	38	-2.0	-103.02	309.77	6.52	-96.50
O=C([O-])C12CCC(CC1)CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057668	1	38	-2.0	-102.98	309.84	6.54	-96.44
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)CCCC1=N[N-]N=N1	REAL300020057669	0	41	-2.0	-108.14	335.34	6.87	-101.27
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)CCCC1=NN=N[N-]1	REAL300020057669	1	41	-2.0	-108.19	335.40	6.88	-101.31
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057670	0	41	-2.0	-99.21	342.18	7.92	-91.29
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057670	1	41	-2.0	-99.20	342.24	7.92	-91.28
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC2CC21	REAL300020057671	0	38	-2.0	-96.83	314.73	5.19	-91.64
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC2CC21	REAL300020057671	1	38	-2.0	-96.81	314.80	5.19	-91.62
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC2CC21	REAL300020057672	0	35	-2.0	-95.93	301.88	4.27	-91.66
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC2CC21	REAL300020057672	1	35	-2.0	-95.95	301.95	4.28	-91.67
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2(CCC2)C1	REAL300020057673	0	38	-2.0	-94.94	322.88	4.60	-90.34
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2(CCC2)C1	REAL300020057673	1	38	-2.0	-94.91	322.95	4.61	-90.30
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020057674	0	46	-2.0	-90.23	353.87	6.09	-84.14
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020057674	1	46	-2.0	-90.21	353.93	6.11	-84.10
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057675	0	46	-2.0	-93.05	362.00	6.29	-86.76
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057675	1	46	-2.0	-93.05	362.07	6.30	-86.75
CN(C(=O)CCCC1=N[N-]N=N1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300020057676	0	40	-2.0	-99.06	336.76	7.10	-91.96
CN(C(=O)CCCC1=NN=N[N-]1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300020057676	1	40	-2.0	-99.09	336.82	7.12	-91.97
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300020057677	0	40	-2.0	-87.67	344.86	7.50	-80.17
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300020057677	1	40	-2.0	-87.66	344.93	7.52	-80.14
O=C([O-])C1CC2(CN1C(=O)CCCC1=N[N-]N=N1)CCCCC2	REAL300020057678	0	44	-2.0	-97.48	341.77	6.20	-91.28
O=C([O-])C1CC2(CN1C(=O)CCCC1=NN=N[N-]1)CCCCC2	REAL300020057678	1	44	-2.0	-97.48	341.83	6.22	-91.26
O=C([O-])C1CC2(CN1C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCCCC2	REAL300020057679	0	44	-2.0	-102.16	350.22	6.91	-95.25
O=C([O-])C1CC2(CN1C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCCCC2	REAL300020057679	1	44	-2.0	-102.13	350.29	6.91	-95.22
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300020057680	0	37	-2.0	-92.22	320.79	3.78	-88.44
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300020057680	1	37	-2.0	-92.23	320.86	3.80	-88.43
CO[C@H](C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057681	0	34	-2.0	-93.20	309.39	1.34	-91.86
CO[C@H](C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057681	1	34	-2.0	-93.21	309.46	1.35	-91.86
O=C([O-])CCC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CCC2=C1	REAL300020057682	0	44	-2.0	-96.73	367.50	7.90	-88.83
O=C([O-])CCC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CCC2=C1	REAL300020057682	1	44	-2.0	-96.75	367.56	7.92	-88.83
O=C([O-])CCC1=CC=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC2=C1	REAL300020057683	0	44	-2.0	-84.97	374.90	8.18	-76.79
O=C([O-])CCC1=CC=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC2=C1	REAL300020057683	1	44	-2.0	-84.92	374.96	8.18	-76.74
O=C([O-])CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300020057684	0	37	-2.0	-105.59	324.37	4.91	-100.68
O=C([O-])CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300020057684	1	37	-2.0	-105.56	324.43	4.92	-100.64
O=C([O-])CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057685	0	37	-2.0	-91.85	334.97	4.70	-87.15
O=C([O-])CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057685	1	37	-2.0	-91.86	335.04	4.70	-87.16
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057686	0	34	-2.0	-93.96	293.54	3.46	-90.50
CC1[C@@H](C)[C@@]1(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057686	1	34	-2.0	-93.98	293.60	3.46	-90.52
O=C([O-])CN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020057687	0	37	-2.0	-96.11	325.99	6.86	-89.25
O=C([O-])CN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020057687	1	37	-2.0	-96.12	326.04	6.88	-89.24
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057688	0	37	-2.0	-96.60	332.00	7.41	-89.19
O=C([O-])CN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057688	1	37	-2.0	-96.59	332.07	7.41	-89.18
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020057690	0	44	-2.0	-109.16	378.91	7.87	-101.29
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020057690	1	44	-2.0	-109.14	378.96	7.89	-101.25
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057691	0	37	-2.0	-100.93	313.13	5.22	-95.71
CC1(C)CC(C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057691	1	37	-2.0	-100.94	313.20	5.23	-95.71
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020057692	0	38	-2.0	-99.56	332.65	6.57	-92.99
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020057692	1	38	-2.0	-99.58	332.71	6.59	-92.99
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057693	0	38	-2.0	-89.74	339.94	6.80	-82.94
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057693	1	38	-2.0	-89.69	340.01	6.81	-82.88
CC(C)(C(=O)[O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057694	0	43	-2.0	-101.20	330.70	5.53	-95.67
CC(C)(C(=O)[O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057694	1	43	-2.0	-101.25	330.75	5.54	-95.71
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057695	0	43	-2.0	-90.08	342.26	5.86	-84.22
CC(C)(C(=O)[O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057695	1	43	-2.0	-90.05	342.32	5.86	-84.19
O=C([O-])C1CCCC1C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057696	0	47	-2.0	-107.50	364.31	7.13	-100.37
O=C([O-])C1CCCC1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057696	1	47	-2.0	-107.50	364.36	7.15	-100.35
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057697	0	47	-2.0	-91.54	373.85	7.40	-84.14
O=C([O-])C1CCCC1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057697	1	47	-2.0	-91.52	373.92	7.41	-84.11
O=C([O-])CC1CCC2CN(C(=O)CCCC3=N[N-]N=N3)CCC2C1	REAL300020057698	0	47	-2.0	-96.97	364.47	7.09	-89.88
O=C([O-])CC1CCC2CN(C(=O)CCCC3=NN=N[N-]3)CCC2C1	REAL300020057698	1	47	-2.0	-97.00	364.53	7.10	-89.90
O=C([O-])CC1CCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC2C1	REAL300020057699	0	47	-2.0	-87.85	365.19	7.09	-80.76
O=C([O-])CC1CCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC2C1	REAL300020057699	1	47	-2.0	-87.81	365.26	7.09	-80.72
O=C([O-])C1(C2=CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CCC1	REAL300020057700	0	42	-2.0	-95.67	339.62	6.44	-89.23
O=C([O-])C1(C2=CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CCC1	REAL300020057700	1	42	-2.0	-95.67	339.68	6.45	-89.22
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CCC1	REAL300020057701	0	42	-2.0	-91.93	345.64	6.67	-85.26
O=C([O-])C1(C2=CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CCC1	REAL300020057701	1	42	-2.0	-91.85	345.71	6.67	-85.18
O=C([O-])C1(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CCC1	REAL300020057702	0	44	-2.0	-95.35	342.94	6.37	-88.98
O=C([O-])C1(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CCC1	REAL300020057702	1	44	-2.0	-95.36	343.00	6.38	-88.98
O=C([O-])C1(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CCC1	REAL300020057703	0	44	-2.0	-86.16	349.36	6.50	-79.66
O=C([O-])C1(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CCC1	REAL300020057703	1	44	-2.0	-86.16	349.43	6.51	-79.65
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300020057704	0	35	-2.0	-85.53	300.47	3.62	-81.91
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300020057704	1	35	-2.0	-85.49	300.54	3.62	-81.87
CC(C)(C(=O)[O-])C1=CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057705	0	41	-2.0	-103.16	328.71	5.68	-97.48
CC(C)(C(=O)[O-])C1=CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057705	1	41	-2.0	-103.13	328.77	5.69	-97.44
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057706	0	41	-2.0	-89.21	335.21	5.94	-83.27
CC(C)(C(=O)[O-])C1=CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057706	1	41	-2.0	-89.28	335.28	5.95	-83.33
O=C([O-])C12CC1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057707	0	32	-2.0	-83.89	288.87	4.62	-79.27
O=C([O-])C12CC1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057707	1	32	-2.0	-83.87	288.94	4.63	-79.24
CC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300020057708	0	40	-2.0	-106.01	351.50	6.38	-99.63
CC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300020057708	1	40	-2.0	-106.02	351.56	6.39	-99.63
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057709	0	34	-2.0	-97.17	298.50	3.51	-93.66
O=C([O-])[C@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057709	1	34	-2.0	-97.13	298.56	3.51	-93.62
O=C([O-])C1CC(F)(F)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020057710	0	34	-2.0	-116.34	291.19	5.40	-110.94
O=C([O-])C1CC(F)(F)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020057710	1	34	-2.0	-116.36	291.25	5.42	-110.94
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057711	0	34	-2.0	-92.31	299.05	5.35	-86.96
O=C([O-])C1CC(F)(F)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057711	1	34	-2.0	-92.27	299.11	5.35	-86.92
O=C([O-])C1N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1(F)F	REAL300020057712	0	31	-2.0	-95.21	289.38	4.11	-91.10
O=C([O-])C1N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1(F)F	REAL300020057712	1	31	-2.0	-95.18	289.44	4.12	-91.06
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020057713	0	38	-2.0	-112.87	344.52	6.35	-106.52
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020057713	1	38	-2.0	-112.87	344.46	6.34	-106.53
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020057714	0	38	-2.0	-91.39	355.08	6.16	-85.23
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020057714	1	38	-2.0	-91.42	355.02	6.14	-85.28
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300020057715	0	38	-2.0	-102.17	324.95	3.97	-98.20
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300020057715	1	38	-2.0	-102.18	325.01	3.99	-98.19
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057716	0	38	-2.0	-110.10	332.29	4.24	-105.86
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057716	1	38	-2.0	-110.03	332.36	4.25	-105.78
O=C([O-])C1(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CCC1	REAL300020057717	0	41	-2.0	-100.70	342.11	6.22	-94.48
O=C([O-])C1(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CCC1	REAL300020057717	1	41	-2.0	-100.63	342.17	6.23	-94.40
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CCC1	REAL300020057718	0	41	-2.0	-89.36	352.42	6.02	-83.34
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CCC1	REAL300020057718	1	41	-2.0	-89.35	352.49	6.02	-83.33
C=CCN(CCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057719	0	34	-2.0	-85.06	305.78	5.45	-79.61
C=CCN(CCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057719	1	34	-2.0	-85.03	305.85	5.47	-79.56
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057720	0	37	-2.0	-106.62	333.64	5.39	-101.23
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057720	1	37	-2.0	-106.56	333.70	5.40	-101.16
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057721	0	37	-2.0	-91.33	344.17	5.20	-86.13
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057721	1	37	-2.0	-91.32	344.24	5.21	-86.11
CC1(C(F)F)CN(C(=O)CCCC2=N[N-]N=N2)CC1C(=O)[O-]	REAL300020057722	0	37	-2.0	-97.71	316.71	4.56	-93.15
CC1(C(F)F)CN(C(=O)CCCC2=NN=N[N-]2)CC1C(=O)[O-]	REAL300020057722	1	37	-2.0	-97.75	316.77	4.57	-93.18
CC1(C(F)F)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C(=O)[O-]	REAL300020057723	0	37	-2.0	-93.65	320.67	4.88	-88.77
CC1(C(F)F)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C(=O)[O-]	REAL300020057723	1	37	-2.0	-93.63	320.74	4.89	-88.74
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(CC(=O)[O-])CC1	REAL300020057724	0	34	-2.0	-89.10	298.31	4.71	-84.39
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(CC(=O)[O-])CC1	REAL300020057724	1	34	-2.0	-89.08	298.39	4.71	-84.37
O=C([O-])C(CC1=CSC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057725	0	34	-2.0	-104.76	318.03	4.25	-100.51
O=C([O-])C(CC1=CSC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057725	1	34	-2.0	-104.77	318.09	4.26	-100.51
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057726	0	34	-2.0	-89.74	328.45	4.09	-85.65
O=C([O-])C(CC1=CSC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057726	1	34	-2.0	-89.71	328.56	4.10	-85.61
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057727	0	38	-2.0	-92.72	315.09	4.45	-88.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057727	1	38	-2.0	-92.64	315.16	4.45	-88.19
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CCCC1=N[N-]N=N1	REAL300020057728	0	34	-2.0	-104.44	297.37	4.88	-99.56
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CCCC1=NN=N[N-]1	REAL300020057728	1	34	-2.0	-104.45	297.43	4.90	-99.55
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057729	0	34	-2.0	-92.43	305.09	5.28	-87.15
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057729	1	34	-2.0	-92.39	305.16	5.29	-87.10
O=C([O-])C1=CC2=C(CCCN(C(=O)CCCC3=N[N-]N=N3)C2)S1	REAL300020057730	0	38	-2.0	-106.32	332.39	6.34	-99.98
O=C([O-])C1=CC2=C(CCCN(C(=O)CCCC3=NN=N[N-]3)C2)S1	REAL300020057730	1	38	-2.0	-106.31	332.45	6.35	-99.96
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)S1	REAL300020057731	0	38	-2.0	-109.46	333.03	6.77	-102.69
O=C([O-])C1=CC2=C(CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)S1	REAL300020057731	1	38	-2.0	-109.47	333.09	6.77	-102.70
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CC2(CC(F)(F)C2)C1	REAL300020057732	0	38	-2.0	-113.53	331.96	5.19	-108.34
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CC2(CC(F)(F)C2)C1	REAL300020057732	1	38	-2.0	-113.57	332.01	5.21	-108.36
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2(CC(F)(F)C2)C1	REAL300020057733	0	38	-2.0	-93.95	342.33	5.00	-88.95
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2(CC(F)(F)C2)C1	REAL300020057733	1	38	-2.0	-93.95	342.40	5.03	-88.92
CN1C=C(C2OC3(CNC(=O)CCCC4=NN=N[N-]4)CC2(C(=O)[O-])C3)C=N1	REAL300020057734	0	46	-2.0	-96.29	392.35	2.98	-93.31
CN1C=C(C2OC3(CNC(=O)CCCC4=N[N-]N=N4)CC2(C(=O)[O-])C3)C=N1	REAL300020057734	1	46	-2.0	-96.24	392.30	2.96	-93.28
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057735	0	38	-2.0	-98.38	313.96	5.84	-92.54
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057735	1	38	-2.0	-98.40	314.03	5.85	-92.55
O=C([O-])C1(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CCCC1	REAL300020057736	0	44	-2.0	-105.28	359.50	6.78	-98.50
O=C([O-])C1(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CCCC1	REAL300020057736	1	44	-2.0	-105.32	359.55	6.80	-98.52
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CCCC1	REAL300020057737	0	44	-2.0	-90.95	370.41	6.56	-84.39
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CCCC1	REAL300020057737	1	44	-2.0	-90.94	370.49	6.58	-84.36
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057738	0	34	-2.0	-87.45	297.83	4.24	-83.21
O=C([O-])C[C@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057738	1	34	-2.0	-87.46	297.90	4.25	-83.21
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)CCCC1=N[N-]N=N1	REAL300020057739	0	42	-2.0	-110.84	356.48	6.68	-104.16
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)CCCC1=NN=N[N-]1	REAL300020057739	1	42	-2.0	-110.86	356.54	6.69	-104.17
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057740	0	42	-2.0	-94.80	362.72	6.87	-87.93
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057740	1	42	-2.0	-94.79	362.78	6.87	-87.92
O=C(CCCC1=N[N-]N=N1)NC1CC2(C1)CCC(C(=O)[O-])CC2	REAL300020057741	0	44	-2.0	-103.19	354.57	5.35	-97.84
O=C(CCCC1=NN=N[N-]1)NC1CC2(C1)CCC(C(=O)[O-])CC2	REAL300020057741	1	44	-2.0	-103.18	354.62	5.37	-97.81
O=C([O-])C1CCC2(CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300020057742	0	44	-2.0	-85.79	363.66	5.09	-80.70
O=C([O-])C1CCC2(CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300020057742	1	44	-2.0	-85.78	363.73	5.10	-80.68
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057743	0	32	-2.0	-86.55	300.32	3.87	-82.68
O=C([O-])C1=COC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057743	1	32	-2.0	-86.57	300.39	3.88	-82.69
O=C([O-])C1COCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057744	0	35	-2.0	-95.63	291.23	3.38	-92.25
O=C([O-])C1COCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057744	1	35	-2.0	-95.57	291.29	3.38	-92.19
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057745	0	35	-2.0	-90.78	307.39	4.07	-86.71
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057745	1	35	-2.0	-90.78	307.46	4.07	-86.71
O=C([O-])CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300020057746	0	38	-2.0	-91.24	328.34	2.92	-88.32
O=C([O-])CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300020057746	1	38	-2.0	-91.18	328.40	2.93	-88.25
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300020057747	0	34	-2.0	-91.59	300.96	3.23	-88.36
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300020057747	1	34	-2.0	-91.60	301.02	3.23	-88.37
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC2(CCC2)C1	REAL300020057748	0	41	-2.0	-93.67	336.62	5.03	-88.64
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC2(CCC2)C1	REAL300020057748	1	41	-2.0	-93.66	336.69	5.04	-88.62
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2(CCC2)C1	REAL300020057749	0	41	-2.0	-90.80	347.44	4.82	-85.98
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2(CCC2)C1	REAL300020057749	1	41	-2.0	-90.75	347.51	4.82	-85.93
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C12CCC2	REAL300020057750	0	38	-2.0	-84.12	312.86	5.00	-79.12
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C12CCC2	REAL300020057750	1	38	-2.0	-84.11	312.92	5.02	-79.09
CC1(C)OC2(CNC(=O)CCCC3=N[N-]N=N3)CCC1(C(=O)[O-])CC2	REAL300020057751	0	48	-2.0	-92.08	367.77	3.96	-88.12
CC1(C)OC2(CNC(=O)CCCC3=NN=N[N-]3)CCC1(C(=O)[O-])CC2	REAL300020057751	1	48	-2.0	-92.10	367.82	3.97	-88.13
CC1(C)OC2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC1(C(=O)[O-])CC2	REAL300020057752	0	48	-2.0	-85.21	378.27	3.77	-81.44
CC1(C)OC2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC1(C(=O)[O-])CC2	REAL300020057752	1	48	-2.0	-85.21	378.34	3.77	-81.44
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300020057753	0	44	-2.0	-94.55	337.07	5.22	-89.33
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300020057753	1	44	-2.0	-94.57	337.13	5.23	-89.34
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2CCC1CC2	REAL300020057754	0	44	-2.0	-91.00	347.66	5.03	-85.97
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2CCC1CC2	REAL300020057754	1	44	-2.0	-91.02	347.72	5.03	-85.99
O=C([O-])CC1CCC2(CC1)CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300020057755	0	50	-2.0	-96.54	371.67	7.26	-89.28
O=C([O-])CC1CCC2(CC1)CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300020057755	1	50	-2.0	-96.57	371.73	7.28	-89.29
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020057756	0	50	-2.0	-86.58	379.70	7.46	-79.12
O=C([O-])CC1CCC2(CC1)CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020057756	1	50	-2.0	-86.59	379.77	7.46	-79.13
O=C(CCCC1=N[N-]N=N1)NCC12CCC(C(=O)[O-])(CC1)CO2	REAL300020057757	0	42	-2.0	-93.02	340.12	3.04	-89.98
O=C(CCCC1=NN=N[N-]1)NCC12CCC(C(=O)[O-])(CC1)CO2	REAL300020057757	1	42	-2.0	-93.02	340.18	3.06	-89.96
O=C([O-])C12CCC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(CC1)OC2	REAL300020057758	0	42	-2.0	-86.46	350.71	2.85	-83.61
O=C([O-])C12CCC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(CC1)OC2	REAL300020057758	1	42	-2.0	-86.43	350.78	2.85	-83.58
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057759	0	37	-2.0	-91.30	310.53	5.02	-86.28
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057759	1	37	-2.0	-91.28	310.60	5.04	-86.24
O=C([O-])C1=CC2=C(C=C(CNC(=O)CCCC3=N[N-]N=N3)S2)S1	REAL300020057760	0	34	-2.0	-94.01	335.48	4.75	-89.26
O=C([O-])C1=CC2=C(C=C(CNC(=O)CCCC3=NN=N[N-]3)S2)S1	REAL300020057760	1	34	-2.0	-94.01	335.54	4.77	-89.24
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)S2)S1	REAL300020057761	0	34	-2.0	-86.51	346.08	4.54	-81.97
O=C([O-])C1=CC2=C(C=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)S2)S1	REAL300020057761	1	34	-2.0	-86.48	346.14	4.54	-81.94
O=C([O-])C[C@H]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057762	0	37	-2.0	-91.30	310.97	4.99	-86.31
O=C([O-])C[C@H]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057762	1	37	-2.0	-91.27	311.04	4.99	-86.28
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=N1	REAL300020057763	0	43	-2.0	-95.38	376.99	5.57	-89.81
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=N1	REAL300020057763	1	43	-2.0	-95.41	377.05	5.58	-89.83
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)=N1	REAL300020057764	0	43	-2.0	-90.50	384.05	5.73	-84.77
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)=N1	REAL300020057764	1	43	-2.0	-90.47	384.11	5.73	-84.74
O=C([O-])C[C@@H]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057765	0	37	-2.0	-91.33	310.53	5.03	-86.30
O=C([O-])C[C@@H]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057765	1	37	-2.0	-91.32	310.60	5.04	-86.28
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057766	0	35	-2.0	-93.01	316.38	3.74	-89.27
O=C([O-])[C@@H]1CC12CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057766	1	35	-2.0	-93.00	316.45	3.75	-89.25
O=C([O-])C1(C2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2)CCC1	REAL300020057767	0	41	-2.0	-95.17	345.39	6.28	-88.89
O=C([O-])C1(C2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2)CCC1	REAL300020057767	1	41	-2.0	-95.18	345.44	6.30	-88.88
O=C([O-])C1(C2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C2)CCC1	REAL300020057768	0	41	-2.0	-99.13	354.36	6.05	-93.08
O=C([O-])C1(C2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C2)CCC1	REAL300020057768	1	41	-2.0	-99.13	354.43	6.06	-93.07
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057769	0	37	-2.0	-98.98	303.24	5.98	-93.00
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057769	1	37	-2.0	-98.97	303.30	5.98	-92.99
COCCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057770	0	37	-2.0	-90.62	333.72	1.98	-88.64
COCCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057770	1	37	-2.0	-90.56	333.80	2.00	-88.56
O=C([O-])C1=C2CN(C(=O)CCCC3=N[N-]N=N3)CCN2C=C1	REAL300020057771	0	36	-2.0	-119.00	309.62	5.08	-113.92
O=C([O-])C1=C2CN(C(=O)CCCC3=NN=N[N-]3)CCN2C=C1	REAL300020057771	1	36	-2.0	-119.00	309.68	5.10	-113.90
O=C([O-])C1=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCN2C=C1	REAL300020057772	0	36	-2.0	-108.33	317.01	5.37	-102.96
O=C([O-])C1=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCN2C=C1	REAL300020057772	1	36	-2.0	-108.31	317.08	5.38	-102.93
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(CC(=O)[O-])C(F)F	REAL300020057773	0	33	-2.0	-91.63	295.41	4.84	-86.79
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(CC(=O)[O-])C(F)F	REAL300020057773	1	33	-2.0	-91.63	295.48	4.85	-86.78
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL300020057774	0	35	-2.0	-110.19	317.40	5.09	-105.10
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL300020057774	1	35	-2.0	-110.16	317.46	5.10	-105.06
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020057775	0	35	-2.0	-90.62	328.03	4.89	-85.73
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020057775	1	35	-2.0	-90.65	327.96	4.89	-85.76
O=C([O-])C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020057776	0	47	-2.0	-107.41	393.77	8.20	-99.21
O=C([O-])C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020057776	1	47	-2.0	-107.38	393.83	8.21	-99.17
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020057777	0	28	-2.0	-90.38	272.71	1.20	-89.18
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020057777	1	28	-2.0	-90.30	272.78	1.22	-89.08
O=C(CCCC1=N[N-]N=N1)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300020057778	0	35	-2.0	-101.60	309.91	3.76	-97.84
O=C(CCCC1=NN=N[N-]1)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL300020057778	1	35	-2.0	-101.57	309.97	3.78	-97.79
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1C1CC1	REAL300020057779	0	35	-2.0	-86.01	320.53	3.56	-82.45
O=C([O-])C1=NNC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1C1CC1	REAL300020057779	1	35	-2.0	-85.98	320.59	3.58	-82.40
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL300020057780	0	35	-2.0	-110.19	317.40	5.09	-105.10
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL300020057780	1	35	-2.0	-110.16	317.46	5.10	-105.06
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020057781	0	35	-2.0	-90.62	328.03	4.89	-85.73
O=C([O-])C1=C(C2CC2)C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020057781	1	35	-2.0	-90.65	327.96	4.89	-85.76
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300020057782	0	38	-2.0	-98.56	327.78	6.32	-92.24
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300020057782	1	38	-2.0	-98.60	327.83	6.34	-92.26
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057783	0	38	-2.0	-85.52	335.21	6.57	-78.95
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057783	1	38	-2.0	-85.46	335.27	6.59	-78.87
O=C([O-])C1=NNC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020057784	0	31	-2.0	-90.76	299.57	0.25	-90.51
O=C([O-])C1=NNC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020057784	1	31	-2.0	-90.73	299.64	0.25	-90.48
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)NN=C1C(=O)[O-]	REAL300020057785	0	31	-2.0	-85.54	290.50	1.98	-83.56
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)NN=C1C(=O)[O-]	REAL300020057785	1	31	-2.0	-85.50	290.56	1.99	-83.51
CCC1=C(C(=O)[O-])SC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020057786	0	34	-2.0	-107.89	309.00	4.38	-103.51
CCC1=C(C(=O)[O-])SC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020057786	1	34	-2.0	-107.95	309.06	4.39	-103.56
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020057787	0	34	-2.0	-88.79	319.66	4.18	-84.61
CCC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020057787	1	34	-2.0	-88.84	319.59	4.18	-84.66
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020057788	0	37	-2.0	-109.34	329.07	4.96	-104.38
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020057788	1	37	-2.0	-109.36	329.12	4.97	-104.39
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020057789	0	37	-2.0	-89.45	339.03	4.75	-84.70
CC(C)C1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020057789	1	37	-2.0	-89.41	338.97	4.74	-84.67
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCCC1=N[N-]N=N1)C2	REAL300020057790	0	44	-2.0	-118.32	338.01	5.39	-112.93
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCCC1=NN=N[N-]1)C2	REAL300020057790	1	44	-2.0	-118.31	338.06	5.40	-112.91
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057791	0	44	-2.0	-94.24	347.67	5.27	-88.97
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057791	1	44	-2.0	-94.25	347.73	5.28	-88.97
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057792	0	36	-2.0	-86.35	310.16	5.38	-80.97
CCCC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057792	1	36	-2.0	-86.35	310.23	5.39	-80.96
O=C([O-])CC1CN(C(=O)CCCC2=N[N-]N=N2)C2(CCC2)CO1	REAL300020057793	0	42	-2.0	-94.71	335.93	4.79	-89.92
O=C([O-])CC1CN(C(=O)CCCC2=NN=N[N-]2)C2(CCC2)CO1	REAL300020057793	1	42	-2.0	-94.74	335.99	4.81	-89.93
O=C([O-])CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(CCC2)CO1	REAL300020057794	0	42	-2.0	-89.75	343.81	4.95	-84.80
O=C([O-])CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(CCC2)CO1	REAL300020057794	1	42	-2.0	-89.72	343.88	4.95	-84.77
CCOCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057795	0	34	-2.0	-93.47	312.61	1.35	-92.12
CCOCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057795	1	34	-2.0	-93.45	312.68	1.36	-92.09
CN1CCN(C(=O)CCCC2=N[N-]N=N2)C2=CC(C(=O)[O-])=CC=C21	REAL300020057796	0	40	-2.0	-123.37	330.23	4.69	-118.68
CN1CCN(C(=O)CCCC2=NN=N[N-]2)C2=CC(C(=O)[O-])=CC=C21	REAL300020057796	1	40	-2.0	-123.37	330.29	4.70	-118.67
CN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC(C(=O)[O-])=CC=C21	REAL300020057797	0	40	-2.0	-98.80	336.89	4.92	-93.88
CN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC(C(=O)[O-])=CC=C21	REAL300020057797	1	40	-2.0	-98.76	336.96	4.94	-93.82
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057798	0	40	-2.0	-82.58	327.14	5.45	-77.13
CC1(C)C(CC(=O)[O-])CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057798	1	40	-2.0	-82.54	327.21	5.46	-77.08
CC(C)(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057799	0	39	-2.0	-90.82	329.36	4.62	-86.20
CC(C)(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057799	1	39	-2.0	-90.83	329.43	4.62	-86.21
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020057800	0	43	-2.0	-103.62	358.99	6.83	-96.79
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020057800	1	43	-2.0	-103.58	359.05	6.84	-96.74
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057801	0	43	-2.0	-86.36	363.62	6.99	-79.37
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057801	1	43	-2.0	-86.33	363.61	6.99	-79.34
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)C12CCOCC2	REAL300020057802	0	42	-2.0	-97.99	320.39	4.32	-93.67
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)C12CCOCC2	REAL300020057802	1	42	-2.0	-97.98	320.44	4.33	-93.65
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C12CCOCC2	REAL300020057803	0	42	-2.0	-85.84	327.43	4.60	-81.24
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C12CCOCC2	REAL300020057803	1	42	-2.0	-85.84	327.50	4.60	-81.24
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057804	0	37	-2.0	-83.36	308.45	4.86	-78.50
CC1(C)C(C(=O)[O-])CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057804	1	37	-2.0	-83.36	308.52	4.86	-78.50
CC(NC(=O)CCCC1=N[N-]N=N1)C1=NC(C(=O)[O-])=CS1	REAL300020057805	0	33	-2.0	-103.64	312.83	1.89	-101.75
CC(NC(=O)CCCC1=NN=N[N-]1)C1=NC(C(=O)[O-])=CS1	REAL300020057805	1	33	-2.0	-103.64	312.88	1.90	-101.74
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC(C(=O)[O-])=CS1	REAL300020057806	0	33	-2.0	-90.00	323.44	1.67	-88.33
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC(C(=O)[O-])=CS1	REAL300020057806	1	33	-2.0	-90.01	323.50	1.71	-88.30
O=C([O-])C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020057807	0	37	-2.0	-99.84	343.16	6.08	-93.76
O=C([O-])C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020057807	1	37	-2.0	-99.85	343.21	6.09	-93.76
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(Cl)=C1	REAL300020057808	0	37	-2.0	-87.69	346.84	5.06	-82.63
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(Cl)=C1	REAL300020057808	1	37	-2.0	-87.71	346.90	5.06	-82.65
O=C([O-])C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020057809	0	37	-2.0	-98.50	343.32	5.97	-92.53
O=C([O-])C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020057809	1	37	-2.0	-98.52	343.38	5.98	-92.54
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(Cl)=C1	REAL300020057810	0	37	-2.0	-84.98	346.77	5.06	-79.92
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(Cl)=C1	REAL300020057810	1	37	-2.0	-84.94	346.84	5.06	-79.88
O=C([O-])C1=CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057811	0	32	-2.0	-94.92	284.63	4.29	-90.63
O=C([O-])C1=CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057811	1	32	-2.0	-94.90	284.70	4.32	-90.58
O=C([O-])C1(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300020057812	0	37	-2.0	-89.25	320.00	3.32	-85.93
O=C([O-])C1(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300020057812	1	37	-2.0	-89.28	320.07	3.33	-85.95
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300020057813	0	37	-2.0	-94.42	323.60	4.59	-89.83
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300020057813	1	37	-2.0	-94.39	323.65	4.60	-89.79
CC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1C(=O)[O-]	REAL300020057814	0	37	-2.0	-87.17	334.19	4.38	-82.79
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1C(=O)[O-]	REAL300020057814	1	37	-2.0	-87.18	334.26	4.38	-82.80
CC1(C)CCC(CC(=O)[O-])N(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020057815	0	43	-2.0	-118.88	332.19	7.06	-111.82
CC1(C)CCC(CC(=O)[O-])N(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020057815	1	43	-2.0	-118.91	332.24	7.07	-111.84
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057816	0	43	-2.0	-99.44	340.33	7.23	-92.21
CC1(C)CCC(CC(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057816	1	43	-2.0	-99.44	340.40	7.22	-92.22
O=C([O-])C1=CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057817	0	32	-2.0	-87.65	284.17	4.31	-83.34
O=C([O-])C1=CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057817	1	32	-2.0	-87.65	284.23	4.32	-83.33
O=C([O-])C(CCCCNC(=O)CCCC1=N[N-]N=N1)CC(F)(F)F	REAL300020057818	0	42	-2.0	-102.33	368.72	5.16	-97.17
O=C([O-])C(CCCCNC(=O)CCCC1=NN=N[N-]1)CC(F)(F)F	REAL300020057818	1	42	-2.0	-102.31	368.78	5.17	-97.14
O=C([O-])C(CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(F)(F)F	REAL300020057819	0	42	-2.0	-87.62	379.76	4.98	-82.64
O=C([O-])C(CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(F)(F)F	REAL300020057819	1	42	-2.0	-87.58	379.82	4.98	-82.60
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCO1	REAL300020057820	0	38	-2.0	-94.82	330.63	2.65	-92.17
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCO1	REAL300020057820	1	38	-2.0	-94.76	330.69	2.66	-92.10
O=C([O-])C12CCC(CC1NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057821	0	38	-2.0	-98.96	320.04	4.58	-94.38
O=C([O-])C12CCC(CC1NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057821	1	38	-2.0	-98.95	320.10	4.59	-94.36
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020057822	0	34	-2.0	-106.27	326.03	5.08	-101.19
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020057822	1	34	-2.0	-106.30	326.09	5.10	-101.20
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057823	0	38	-2.0	-92.72	315.09	4.45	-88.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057823	1	38	-2.0	-92.64	315.16	4.45	-88.19
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C2C1	REAL300020057824	0	38	-2.0	-113.36	322.92	5.81	-107.55
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C2C1	REAL300020057824	1	38	-2.0	-113.37	322.98	5.83	-107.54
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2=CC=CC=C2C1	REAL300020057825	0	38	-2.0	-96.83	334.89	5.70	-91.13
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2=CC=CC=C2C1	REAL300020057825	1	38	-2.0	-96.78	334.95	5.70	-91.08
O=C([O-])CN1C=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL300020057826	0	38	-2.0	-101.76	337.18	6.19	-95.57
O=C([O-])CN1C=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL300020057826	1	38	-2.0	-101.79	337.24	6.21	-95.58
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C21	REAL300020057827	0	38	-2.0	-87.87	347.76	5.99	-81.88
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C21	REAL300020057827	1	38	-2.0	-87.88	347.82	5.99	-81.89
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C(O)C1=CC=CN=C1	REAL300020057828	0	37	-2.0	-103.87	322.66	0.06	-103.81
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C(O)C1=CC=CN=C1	REAL300020057828	1	37	-2.0	-103.89	322.71	0.08	-103.81
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(O)C1=CC=CN=C1	REAL300020057829	0	37	-2.0	-92.29	335.10	-0.02	-92.31
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(O)C1=CC=CN=C1	REAL300020057829	1	37	-2.0	-92.20	335.17	-0.01	-92.21
CC(C)C(F)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300020057830	0	36	-2.0	-87.94	315.67	2.80	-85.14
CC(C)C(F)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300020057830	1	36	-2.0	-87.92	315.74	2.81	-85.11
C[C@H]1OCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@@H]1C(=O)[O-]	REAL300020057831	0	35	-2.0	-95.86	299.47	3.74	-92.12
C[C@H]1OCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C(=O)[O-]	REAL300020057831	1	35	-2.0	-95.84	299.54	3.75	-92.09
O=C([O-])C1=CC([C@H]2C[C@H](NC(=O)CCCC3=N[N-]N=N3)C2)=CC=C1	REAL300020057832	0	41	-2.0	-99.57	351.37	5.99	-93.58
O=C([O-])C1=CC([C@H]2C[C@H](NC(=O)CCCC3=NN=N[N-]3)C2)=CC=C1	REAL300020057832	1	41	-2.0	-99.56	351.43	6.00	-93.56
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)=C1	REAL300020057833	0	41	-2.0	-93.21	361.92	5.78	-87.43
O=C([O-])C1=CC=CC([C@H]2C[C@H](NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)=C1	REAL300020057833	1	41	-2.0	-93.16	361.99	5.79	-87.37
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057834	0	37	-2.0	-91.30	310.53	5.02	-86.28
O=C([O-])CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057834	1	37	-2.0	-91.28	310.60	5.04	-86.24
O=C([O-])C1CC12CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020057835	0	38	-2.0	-90.37	320.57	5.67	-84.70
O=C([O-])C1CC12CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020057835	1	38	-2.0	-90.38	320.63	5.67	-84.71
CN1N=C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2=C1C(=O)[O-]	REAL300020057836	0	38	-2.0	-105.17	321.98	3.90	-101.27
CN1N=C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2=C1C(=O)[O-]	REAL300020057836	1	38	-2.0	-105.16	322.04	3.92	-101.24
CN1N=C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2=C1C(=O)[O-]	REAL300020057837	0	38	-2.0	-94.86	329.33	4.16	-90.70
CN1N=C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2=C1C(=O)[O-]	REAL300020057837	1	38	-2.0	-94.84	329.40	4.17	-90.67
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(C(=O)[O-])O1	REAL300020057838	0	38	-2.0	-93.49	322.00	4.38	-89.11
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(C(=O)[O-])O1	REAL300020057838	1	38	-2.0	-93.50	322.07	4.38	-89.12
O=C([O-])C1(C(F)F)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057839	0	37	-2.0	-90.31	309.06	4.67	-85.64
O=C([O-])C1(C(F)F)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057839	1	37	-2.0	-90.28	309.12	4.69	-85.59
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057840	0	37	-2.0	-82.83	316.75	4.90	-77.93
O=C([O-])C1(C(F)F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057840	1	37	-2.0	-82.78	316.81	4.91	-77.87
O=C([O-])C1COC2(C1)CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300020057841	0	42	-2.0	-94.19	338.66	4.37	-89.82
O=C([O-])C1COC2(C1)CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300020057841	1	42	-2.0	-94.18	338.71	4.38	-89.80
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020057842	0	42	-2.0	-82.41	347.23	4.59	-77.82
O=C([O-])C1COC2(C1)CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020057842	1	42	-2.0	-82.36	347.30	4.60	-77.76
O=C([O-])C1CC2CC1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057843	0	38	-2.0	-90.53	313.49	5.85	-84.68
O=C([O-])C1CC2CC1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057843	1	38	-2.0	-90.48	313.56	5.86	-84.62
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057844	0	48	-2.0	-94.64	364.78	5.78	-88.86
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057844	1	48	-2.0	-94.67	364.84	5.80	-88.87
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057845	0	48	-2.0	-91.30	374.60	6.16	-85.14
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057845	1	48	-2.0	-91.29	374.66	6.16	-85.13
O=C([O-])C1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020057846	0	37	-2.0	-97.71	337.71	4.83	-92.88
O=C([O-])C1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020057846	1	37	-2.0	-97.72	337.77	4.85	-92.87
O=C([O-])C1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1C(F)(F)F	REAL300020057847	0	37	-2.0	-89.97	348.30	4.62	-85.35
O=C([O-])C1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1C(F)(F)F	REAL300020057847	1	37	-2.0	-89.97	348.37	4.63	-85.34
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]2C1	REAL300020057848	0	38	-2.0	-85.98	319.41	5.34	-80.64
O=C([O-])[C@H]1C[C@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]2C1	REAL300020057848	1	38	-2.0	-85.95	319.48	5.35	-80.60
O=C([O-])C1(C2CCC2)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020057849	0	41	-2.0	-103.40	329.82	5.55	-97.85
O=C([O-])C1(C2CCC2)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020057849	1	41	-2.0	-103.39	329.87	5.57	-97.82
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057850	0	41	-2.0	-86.97	332.74	6.10	-80.87
O=C([O-])C1(C2CCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057850	1	41	-2.0	-86.97	332.80	6.11	-80.86
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL300020057851	0	36	-2.0	-92.80	306.93	2.83	-89.97
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL300020057851	1	36	-2.0	-92.81	307.00	2.84	-89.97
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057852	0	40	-2.0	-85.95	322.97	5.96	-79.99
CC(C)(C(=O)[O-])C1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057852	1	40	-2.0	-85.95	323.03	5.98	-79.97
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057853	0	37	-2.0	-88.43	313.53	4.96	-83.47
CC1(C)CC(C(=O)[O-])CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057853	1	37	-2.0	-88.41	313.60	4.96	-83.45
O=C([O-])[C@]12CCN(C(=O)CCCC3=N[N-]N=N3)[C@H]1CCCC2	REAL300020057854	0	41	-2.0	-109.17	321.58	5.53	-103.64
O=C([O-])[C@]12CCN(C(=O)CCCC3=NN=N[N-]3)[C@H]1CCCC2	REAL300020057854	1	41	-2.0	-109.16	321.63	5.54	-103.62
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@H]1CCCC2	REAL300020057855	0	41	-2.0	-95.98	331.89	6.33	-89.65
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@H]1CCCC2	REAL300020057855	1	41	-2.0	-95.98	331.96	6.34	-89.64
O=C([O-])[C@]12CCN(C(=O)CCCC3=N[N-]N=N3)[C@H]1CCCC2	REAL300020057856	0	41	-2.0	-109.17	321.58	5.53	-103.64
O=C([O-])[C@]12CCN(C(=O)CCCC3=NN=N[N-]3)[C@H]1CCCC2	REAL300020057856	1	41	-2.0	-109.16	321.63	5.54	-103.62
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@H]1CCCC2	REAL300020057857	0	41	-2.0	-95.98	331.89	6.33	-89.65
O=C([O-])[C@]12CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@H]1CCCC2	REAL300020057857	1	41	-2.0	-95.98	331.96	6.34	-89.64
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)C2(C1)CCOCC2	REAL300020057858	0	42	-2.0	-86.58	324.79	4.41	-82.17
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)C2(C1)CCOCC2	REAL300020057858	1	42	-2.0	-86.62	324.85	4.44	-82.18
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(C1)CCOCC2	REAL300020057859	0	42	-2.0	-86.94	332.21	4.71	-82.23
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(C1)CCOCC2	REAL300020057859	1	42	-2.0	-86.91	332.27	4.71	-82.20
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)CCCC1=N[N-]N=N1)CCC2	REAL300020057860	0	44	-2.0	-107.35	325.30	6.62	-100.73
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)CCCC1=NN=N[N-]1)CCC2	REAL300020057860	1	44	-2.0	-107.39	325.35	6.63	-100.76
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCC2	REAL300020057861	0	44	-2.0	-95.46	335.24	6.92	-88.54
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCC2	REAL300020057861	1	44	-2.0	-95.44	335.31	6.93	-88.51
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057862	0	38	-2.0	-98.30	320.03	5.48	-92.82
O=C([O-])C1CC2(C1)CCCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057862	1	38	-2.0	-98.29	320.10	5.49	-92.80
O=C([O-])C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)[C@H]2COC[C@@H]2O1	REAL300020057863	0	40	-2.0	-94.85	327.82	2.57	-92.28
O=C([O-])C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)[C@H]2COC[C@@H]2O1	REAL300020057863	1	40	-2.0	-94.82	327.88	2.58	-92.24
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H]2COC[C@@H]2O1	REAL300020057864	0	40	-2.0	-87.42	335.35	2.77	-84.65
O=C([O-])C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H]2COC[C@@H]2O1	REAL300020057864	1	40	-2.0	-87.40	335.42	2.78	-84.62
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)C2(CCC2)CO1	REAL300020057865	0	39	-2.0	-90.18	316.26	4.08	-86.10
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)C2(CCC2)CO1	REAL300020057865	1	39	-2.0	-90.23	316.31	4.09	-86.14
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(CCC2)CO1	REAL300020057866	0	39	-2.0	-94.13	324.00	4.39	-89.74
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(CCC2)CO1	REAL300020057866	1	39	-2.0	-94.10	324.07	4.41	-89.69
O=C([O-])[C@@]1(CNC(=O)CCCC2=N[N-]N=N2)C[C@@H]1C(F)(F)F	REAL300020057867	0	34	-2.0	-87.95	308.05	3.67	-84.28
O=C([O-])[C@@]1(CNC(=O)CCCC2=NN=N[N-]2)C[C@@H]1C(F)(F)F	REAL300020057867	1	34	-2.0	-87.94	308.11	3.69	-84.25
O=C([O-])[C@@]1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1C(F)(F)F	REAL300020057868	0	34	-2.0	-83.48	322.46	3.08	-80.40
O=C([O-])[C@@]1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1C(F)(F)F	REAL300020057868	1	34	-2.0	-83.49	322.53	3.08	-80.41
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCO1	REAL300020057869	0	35	-2.0	-93.44	313.26	1.91	-91.53
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCO1	REAL300020057869	1	35	-2.0	-93.39	313.33	1.92	-91.47
O=C([O-])C1=NOC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300020057870	0	34	-2.0	-94.72	299.98	3.86	-90.86
O=C([O-])C1=NOC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300020057870	1	34	-2.0	-94.75	300.03	3.87	-90.88
O=C([O-])C1=NOC2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020057871	0	34	-2.0	-100.98	307.33	4.13	-96.85
O=C([O-])C1=NOC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020057871	1	34	-2.0	-100.96	307.39	4.14	-96.82
O=C([O-])C1=C(C2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)OC=N1	REAL300020057872	0	40	-2.0	-116.06	338.92	2.44	-113.62
O=C([O-])C1=C(C2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)OC=N1	REAL300020057872	1	40	-2.0	-116.05	338.86	2.43	-113.62
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)OC=N1	REAL300020057873	0	40	-2.0	-103.91	346.67	2.70	-101.21
O=C([O-])C1=C(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)OC=N1	REAL300020057873	1	40	-2.0	-103.91	346.61	2.69	-101.22
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057874	0	38	-2.0	-93.12	317.91	4.14	-88.98
CC1(C)COC(C(=O)[O-])CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057874	1	38	-2.0	-93.06	317.98	4.15	-88.91
O=C(CCCC1=N[N-]N=N1)NCC12CCC(C(=O)[O-])(CO1)C2	REAL300020057875	0	39	-2.0	-93.52	328.78	2.30	-91.22
O=C(CCCC1=NN=N[N-]1)NCC12CCC(C(=O)[O-])(CO1)C2	REAL300020057875	1	39	-2.0	-93.53	328.84	2.32	-91.21
O=C([O-])C12CCC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(C1)OC2	REAL300020057876	0	39	-2.0	-82.85	339.37	2.10	-80.75
O=C([O-])C12CCC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(C1)OC2	REAL300020057876	1	39	-2.0	-82.77	339.44	2.10	-80.67
O=C(CCCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300020057877	0	42	-2.0	-96.52	338.10	2.93	-93.59
O=C(CCCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300020057877	1	42	-2.0	-96.60	338.16	2.95	-93.65
O=C([O-])C12COC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)(C1)CCC2	REAL300020057878	0	42	-2.0	-84.45	349.62	2.74	-81.71
O=C([O-])C12COC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)(C1)CCC2	REAL300020057878	1	42	-2.0	-84.42	349.69	2.75	-81.67
O=C([O-])CC1COC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057879	0	38	-2.0	-85.14	333.68	1.77	-83.37
O=C([O-])CC1COC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057879	1	38	-2.0	-85.13	333.75	1.77	-83.36
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020057880	0	41	-2.0	-116.61	355.78	6.43	-110.18
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020057880	1	41	-2.0	-116.63	355.84	6.45	-110.18
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057881	0	41	-2.0	-86.70	363.69	6.83	-79.87
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057881	1	41	-2.0	-86.68	363.76	6.84	-79.84
COC1=CC=C2CN(C(=O)CCCC3=N[N-]N=N3)CC(C(=O)[O-])C2=C1	REAL300020057882	0	42	-2.0	-117.35	347.52	6.23	-111.12
COC1=CC=C2CN(C(=O)CCCC3=NN=N[N-]3)CC(C(=O)[O-])C2=C1	REAL300020057882	1	42	-2.0	-117.32	347.57	6.24	-111.08
COC1=CC=C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC(C(=O)[O-])C2=C1	REAL300020057883	0	42	-2.0	-97.99	357.72	5.85	-92.14
COC1=CC=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC(C(=O)[O-])C2=C1	REAL300020057883	1	42	-2.0	-97.99	357.78	5.85	-92.14
O=C([O-])CN1C=CC2=C(NC(=O)CCCC3=N[N-]N=N3)C=CC=C21	REAL300020057884	0	38	-2.0	-96.73	336.86	6.19	-90.54
O=C([O-])CN1C=CC2=C(NC(=O)CCCC3=NN=N[N-]3)C=CC=C21	REAL300020057884	1	38	-2.0	-96.75	336.92	6.20	-90.55
O=C([O-])CN1C=CC2=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=CC=C21	REAL300020057885	0	38	-2.0	-85.03	347.44	5.97	-79.06
O=C([O-])CN1C=CC2=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=CC=C21	REAL300020057885	1	38	-2.0	-84.98	347.50	5.98	-79.00
O=C([O-])CC1CCN(C(=O)CCCC2=N[N-]N=N2)CCC1(F)F	REAL300020057886	0	40	-2.0	-101.49	324.23	6.11	-95.38
O=C([O-])CC1CCN(C(=O)CCCC2=NN=N[N-]2)CCC1(F)F	REAL300020057886	1	40	-2.0	-101.51	324.28	6.12	-95.39
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1(F)F	REAL300020057887	0	40	-2.0	-93.94	328.71	6.75	-87.19
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1(F)F	REAL300020057887	1	40	-2.0	-93.92	328.79	6.76	-87.16
O=C([O-])CC1=CC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300020057888	0	41	-2.0	-107.60	341.78	6.92	-100.68
O=C([O-])CC1=CC=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300020057888	1	41	-2.0	-107.64	341.84	6.94	-100.70
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020057889	0	41	-2.0	-99.47	349.53	7.22	-92.25
O=C([O-])CC1=CC=CC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020057889	1	41	-2.0	-99.43	349.60	7.23	-92.20
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CS1	REAL300020057890	0	32	-2.0	-83.69	302.53	2.80	-80.89
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CS1	REAL300020057890	1	32	-2.0	-83.64	302.60	2.80	-80.84
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300020057891	0	37	-2.0	-101.16	310.52	4.90	-96.26
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300020057891	1	37	-2.0	-101.19	310.57	4.91	-96.28
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057892	0	37	-2.0	-87.02	319.30	5.10	-81.92
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057892	1	37	-2.0	-86.99	319.36	5.12	-81.87
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300020057893	0	48	-2.0	-111.67	361.34	6.43	-105.24
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300020057893	1	48	-2.0	-111.66	361.40	6.44	-105.22
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C12CC3CC(CC(C3)C1)C2	REAL300020057894	0	48	-2.0	-96.16	371.27	6.28	-89.88
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C12CC3CC(CC(C3)C1)C2	REAL300020057894	1	48	-2.0	-96.12	371.34	6.29	-89.83
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020057895	0	36	-2.0	-102.35	343.55	4.01	-98.34
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020057895	1	36	-2.0	-102.36	343.61	4.03	-98.33
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC=CC1	REAL300020057896	0	35	-2.0	-88.99	311.69	3.66	-85.33
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC=CC1	REAL300020057896	1	35	-2.0	-88.97	311.76	3.67	-85.30
O=C([O-])C1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020057897	0	31	-2.0	-95.95	292.42	3.71	-92.24
O=C([O-])C1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020057897	1	31	-2.0	-95.93	292.35	3.71	-92.22
O=C([O-])C1(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300020057898	0	38	-2.0	-109.06	327.57	5.81	-103.25
O=C([O-])C1(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300020057898	1	38	-2.0	-109.06	327.63	5.82	-103.24
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300020057899	0	38	-2.0	-85.86	338.43	5.58	-80.28
O=C([O-])C1(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300020057899	1	38	-2.0	-85.84	338.50	5.60	-80.24
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(F)=C1C(=O)[O-]	REAL300020057900	0	34	-2.0	-106.25	302.18	4.50	-101.75
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(F)=C1C(=O)[O-]	REAL300020057900	1	34	-2.0	-106.26	302.24	4.52	-101.74
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(F)=C1C(=O)[O-]	REAL300020057901	0	34	-2.0	-85.33	312.22	4.29	-81.04
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(F)=C1C(=O)[O-]	REAL300020057901	1	34	-2.0	-85.37	312.15	4.27	-81.10
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)CCCC1=N[N-]N=N1	REAL300020057902	0	40	-2.0	-110.17	357.13	5.57	-104.60
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)CCCC1=NN=N[N-]1	REAL300020057902	1	40	-2.0	-110.19	357.19	5.59	-104.60
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057903	0	40	-2.0	-94.46	367.48	5.43	-89.03
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057903	1	40	-2.0	-94.44	367.55	5.44	-89.00
O=C([O-])C1C2=CC=C(Br)C=C2CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020057904	0	38	-2.0	-105.50	342.34	7.08	-98.42
O=C([O-])C1C2=CC=C(Br)C=C2CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020057904	1	38	-2.0	-105.51	342.40	7.10	-98.41
O=C([O-])C1=C2C=CC=C(NC(=O)CCCC3=N[N-]N=N3)C2=CC=N1	REAL300020057905	0	36	-2.0	-102.71	316.15	4.38	-98.33
O=C([O-])C1=C2C=CC=C(NC(=O)CCCC3=NN=N[N-]3)C2=CC=N1	REAL300020057905	1	36	-2.0	-102.75	316.21	4.40	-98.35
O=C([O-])C1=C2C=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2=CC=N1	REAL300020057906	0	36	-2.0	-87.82	327.68	4.20	-83.62
O=C([O-])C1=C2C=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2=CC=N1	REAL300020057906	1	36	-2.0	-87.92	327.62	4.20	-83.72
CCSC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020057907	0	38	-2.0	-99.38	341.01	5.91	-93.47
CCSC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020057907	1	38	-2.0	-99.41	341.07	5.93	-93.48
CCSC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057908	0	38	-2.0	-84.71	350.77	5.69	-79.02
CCSC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057908	1	38	-2.0	-84.79	350.71	5.68	-79.11
COC1=CC(C(=O)[O-])=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300020057909	0	38	-2.0	-94.82	335.95	3.37	-91.45
COC1=CC(C(=O)[O-])=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300020057909	1	38	-2.0	-94.86	336.01	3.38	-91.48
COC1=CC(C(=O)[O-])=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057910	0	38	-2.0	-87.60	346.54	3.16	-84.44
COC1=CC(C(=O)[O-])=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057910	1	38	-2.0	-87.64	346.60	3.16	-84.48
O=C([O-])CN(CC1=CC=CO1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057911	0	34	-2.0	-96.62	313.38	5.55	-91.07
O=C([O-])CN(CC1=CC=CO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057911	1	34	-2.0	-96.62	313.44	5.55	-91.07
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL300020057912	0	45	-2.0	-119.73	341.88	5.67	-114.06
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL300020057912	1	45	-2.0	-119.74	341.93	5.69	-114.05
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057913	0	45	-2.0	-99.03	348.19	5.89	-93.14
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057913	1	45	-2.0	-99.01	348.26	5.90	-93.11
O=C([O-])C1=NNC(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300020057914	0	41	-2.0	-101.69	345.84	4.19	-97.50
O=C([O-])C1=NNC(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300020057914	1	41	-2.0	-101.72	345.89	4.21	-97.51
O=C([O-])C1=NNC(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=C1	REAL300020057915	0	41	-2.0	-90.74	353.61	4.43	-86.31
O=C([O-])C1=NNC(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=C1	REAL300020057915	1	41	-2.0	-90.65	353.68	4.44	-86.21
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)C12CCS(=O)(=O)CC2	REAL300020057916	0	44	-2.0	-101.50	345.66	2.81	-98.69
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)C12CCS(=O)(=O)CC2	REAL300020057916	1	44	-2.0	-101.48	345.72	2.83	-98.65
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020057917	0	35	-2.0	-98.65	301.10	5.80	-92.85
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020057917	1	35	-2.0	-98.65	301.16	5.81	-92.84
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C21	REAL300020057918	0	35	-2.0	-93.01	312.61	6.23	-86.78
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C21	REAL300020057918	1	35	-2.0	-93.03	312.68	6.24	-86.79
O=C([O-])CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057919	0	37	-2.0	-84.65	320.62	5.05	-79.60
O=C([O-])CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057919	1	37	-2.0	-84.60	320.68	5.05	-79.55
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057920	0	38	-2.0	-96.48	331.32	4.12	-92.36
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057920	1	38	-2.0	-96.45	331.38	4.12	-92.33
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C2=CC=NC=C12	REAL300020057921	0	36	-2.0	-102.56	315.25	4.41	-98.15
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C2=CC=NC=C12	REAL300020057921	1	36	-2.0	-102.59	315.19	4.40	-98.19
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=NC=C12	REAL300020057922	0	36	-2.0	-84.36	325.84	4.21	-80.15
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=NC=C12	REAL300020057922	1	36	-2.0	-84.35	325.78	4.20	-80.15
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)C12CCSCC2	REAL300020057923	0	42	-2.0	-94.17	326.16	5.50	-88.67
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)C12CCSCC2	REAL300020057923	1	42	-2.0	-94.15	326.21	5.51	-88.64
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C12CCSCC2	REAL300020057924	0	42	-2.0	-82.71	333.19	5.76	-76.95
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C12CCSCC2	REAL300020057924	1	42	-2.0	-82.68	333.26	5.76	-76.92
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020057925	0	34	-2.0	-89.34	301.65	2.92	-86.42
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020057925	1	34	-2.0	-89.31	301.71	2.93	-86.38
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300020057926	0	38	-2.0	-103.27	328.59	6.37	-96.90
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300020057926	1	38	-2.0	-103.29	328.64	6.39	-96.90
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020057927	0	38	-2.0	-86.19	336.48	6.66	-79.53
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020057927	1	38	-2.0	-86.20	336.54	6.66	-79.54
O=C([O-])COCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020057928	0	41	-2.0	-94.31	340.66	4.91	-89.40
O=C([O-])COCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020057928	1	41	-2.0	-94.29	340.72	4.93	-89.36
O=C([O-])COCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020057929	0	41	-2.0	-89.05	348.34	5.16	-83.89
O=C([O-])COCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020057929	1	41	-2.0	-89.05	348.41	5.16	-83.89
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020057930	0	37	-2.0	-97.65	315.35	5.01	-92.64
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020057930	1	37	-2.0	-97.65	315.41	5.02	-92.63
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057931	0	37	-2.0	-92.19	326.72	5.33	-86.86
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057931	1	37	-2.0	-92.18	326.79	5.33	-86.85
O=C([O-])C1=CSC(CC2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)=N1	REAL300020057932	0	43	-2.0	-112.73	369.67	5.42	-107.31
O=C([O-])C1=CSC(CC2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)=N1	REAL300020057932	1	43	-2.0	-112.74	369.72	5.43	-107.31
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)=N1	REAL300020057933	0	43	-2.0	-102.36	379.16	5.83	-96.53
O=C([O-])C1=CSC(CC2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)=N1	REAL300020057933	1	43	-2.0	-102.33	379.22	5.84	-96.49
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300020057934	0	41	-2.0	-89.85	353.62	6.85	-83.00
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C1=CC=C(F)C=C1	REAL300020057934	1	41	-2.0	-89.84	353.68	6.87	-82.97
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300020057935	0	41	-2.0	-94.82	361.11	7.17	-87.65
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300020057935	1	41	-2.0	-94.81	361.18	7.17	-87.64
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1C(=O)[O-]	REAL300020057936	0	40	-2.0	-92.73	329.67	5.22	-87.51
CC(C)[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1C(=O)[O-]	REAL300020057936	1	40	-2.0	-92.74	329.73	5.23	-87.51
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020057937	0	41	-2.0	-108.74	346.03	6.79	-101.95
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020057937	1	41	-2.0	-108.75	346.09	6.81	-101.94
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020057938	0	41	-2.0	-96.91	354.68	7.00	-89.91
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020057938	1	41	-2.0	-96.89	354.75	7.01	-89.88
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020057939	0	40	-2.0	-91.96	350.25	1.40	-90.56
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020057939	1	40	-2.0	-91.96	350.31	1.42	-90.54
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300020057941	1	36	-2.0	-82.90	341.77	3.04	-79.86
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300020057941	1	36	-2.0	-82.91	341.83	3.06	-79.85
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020057944	1	39	-2.0	-91.51	357.26	3.82	-87.69
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020057944	1	39	-2.0	-91.51	357.32	3.83	-87.68
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CS1	REAL300020057945	0	31	-2.0	-91.84	305.48	1.37	-90.47
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CS1	REAL300020057945	1	31	-2.0	-91.85	305.54	1.39	-90.46
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1F	REAL300020057949	0	34	-2.0	-89.39	325.46	2.49	-86.90
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1F	REAL300020057949	1	34	-2.0	-89.39	325.52	2.51	-86.88
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1	REAL300020057951	1	34	-2.0	-91.14	319.96	2.43	-88.71
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=CC(F)=C1	REAL300020057952	1	34	-2.0	-84.86	326.37	2.51	-82.35
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=CC(F)=C1	REAL300020057952	1	34	-2.0	-84.82	326.43	2.52	-82.30
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1C(F)(F)F	REAL300020057960	0	37	-2.0	-95.79	339.43	3.75	-92.04
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1C(F)(F)F	REAL300020057960	1	37	-2.0	-95.80	339.49	3.76	-92.04
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1F	REAL300020057961	0	34	-2.0	-97.45	319.06	2.42	-95.03
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1F	REAL300020057961	1	34	-2.0	-97.38	319.11	2.44	-94.94
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)S1	REAL300020057971	0	34	-2.0	-92.75	327.38	2.17	-90.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)S1	REAL300020057971	1	34	-2.0	-92.72	327.43	2.19	-90.53
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=CN=CC=C21	REAL300020057974	1	39	-2.0	-98.92	349.92	2.90	-96.02
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=CN=CC=C21	REAL300020057974	1	39	-2.0	-98.94	349.98	2.91	-96.03
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300020057975	0	34	-2.0	-99.45	318.45	-0.08	-99.53
CN1C=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300020057975	1	34	-2.0	-99.45	318.40	-0.10	-99.55
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020057976	0	44	-2.0	-101.90	385.08	3.75	-98.15
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020057976	1	44	-2.0	-101.91	385.14	3.77	-98.14
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020057977	0	41	-2.0	-91.84	374.18	3.50	-88.34
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020057977	1	41	-2.0	-91.84	374.12	3.48	-88.36
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020057978	0	37	-2.0	-92.90	361.60	2.03	-90.87
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020057978	1	37	-2.0	-92.87	361.66	2.04	-90.83
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=CC(F)=C1	REAL300020057979	0	33	-2.0	-85.00	314.97	0.63	-84.37
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=CC(F)=C1	REAL300020057979	1	33	-2.0	-84.98	315.03	0.64	-84.34
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C(F)=C1	REAL300020057981	0	38	-2.0	-95.88	351.53	1.94	-93.94
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C(F)=C1	REAL300020057981	1	38	-2.0	-95.90	351.59	1.95	-93.95
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1OC(F)F	REAL300020057983	0	38	-2.0	-95.73	351.57	2.41	-93.32
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1OC(F)F	REAL300020057983	1	38	-2.0	-95.72	351.63	2.43	-93.29
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=C1OCCO2	REAL300020057985	0	40	-2.0	-98.63	356.68	2.01	-96.62
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OCCO2	REAL300020057985	1	40	-2.0	-98.62	356.74	2.02	-96.60
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=NC=CC=C12	REAL300020057986	1	39	-2.0	-94.46	349.70	2.80	-91.66
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=NC=CC=C12	REAL300020057986	1	39	-2.0	-94.45	349.76	2.81	-91.64
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1F	REAL300020057987	0	34	-2.0	-95.74	325.33	2.50	-93.24
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(F)=C1F	REAL300020057987	1	34	-2.0	-95.73	325.38	2.51	-93.22
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020057989	0	34	-2.0	-83.62	329.50	0.88	-82.74
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020057989	1	34	-2.0	-83.60	329.56	0.90	-82.70
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020057990	0	37	-2.0	-90.92	339.69	0.94	-89.98
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020057990	1	37	-2.0	-90.90	339.63	0.93	-89.97
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020057991	0	34	-2.0	-86.07	313.85	0.01	-86.06
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020057991	1	34	-2.0	-86.08	313.79	-0.01	-86.09
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(Cl)=C1F	REAL300020057996	0	34	-2.0	-94.86	335.22	2.94	-91.92
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1F	REAL300020057996	1	34	-2.0	-94.87	335.27	2.95	-91.92
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020057997	0	37	-2.0	-98.25	340.47	3.10	-95.15
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020057997	1	37	-2.0	-98.20	340.53	3.12	-95.08
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058000	1	39	-2.0	-82.73	357.26	3.82	-78.91
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058000	1	39	-2.0	-82.67	357.32	3.83	-78.84
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058001	1	39	-2.0	-89.06	354.17	3.77	-85.29
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058001	1	39	-2.0	-89.02	354.23	3.78	-85.24
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1Cl	REAL300020058002	0	34	-2.0	-100.37	331.08	1.95	-98.42
CN1C=NC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1Cl	REAL300020058002	1	34	-2.0	-100.35	331.03	1.94	-98.41
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058018	1	38	-2.0	-86.38	351.37	2.73	-83.65
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058018	1	38	-2.0	-86.35	351.43	2.74	-83.61
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(Cl)S1	REAL300020058019	0	31	-2.0	-87.17	322.54	1.99	-85.18
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Cl)S1	REAL300020058019	1	31	-2.0	-87.19	322.59	2.01	-85.18
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058021	0	38	-2.0	-99.86	341.82	2.15	-97.71
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058021	1	38	-2.0	-99.83	341.88	2.17	-97.66
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1Cl	REAL300020058022	0	34	-2.0	-94.37	326.69	2.93	-91.44
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1Cl	REAL300020058022	1	34	-2.0	-94.32	326.75	2.94	-91.38
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(F)C=CC=C1F	REAL300020058023	0	34	-2.0	-100.59	322.06	2.64	-97.95
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(F)C=CC=C1F	REAL300020058023	1	34	-2.0	-100.56	322.11	2.65	-97.91
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(Cl)C=C1F	REAL300020058026	0	34	-2.0	-90.00	335.78	2.94	-87.06
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1F	REAL300020058026	1	34	-2.0	-89.99	335.84	2.96	-87.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1[N+](=O)[O-]	REAL300020058027	1	39	-2.0	-91.14	360.45	3.66	-87.48
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058031	0	42	-2.0	-102.01	371.30	1.45	-100.56
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058031	1	42	-2.0	-101.96	371.35	1.46	-100.50
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058034	0	36	-2.0	-84.58	326.64	1.33	-83.25
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058034	1	36	-2.0	-84.56	326.69	1.34	-83.22
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=CC=C1F	REAL300020058037	0	34	-2.0	-93.37	325.46	2.50	-90.87
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=CC=C1F	REAL300020058037	1	34	-2.0	-93.36	325.52	2.52	-90.84
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300020058038	1	41	-2.0	-93.06	369.99	0.65	-92.41
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)S1	REAL300020058039	0	37	-2.0	-87.83	361.43	2.13	-85.70
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)S1	REAL300020058039	1	37	-2.0	-87.84	361.48	2.15	-85.69
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058040	0	40	-2.0	-106.16	366.47	0.97	-105.19
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058040	1	40	-2.0	-106.18	366.41	0.96	-105.22
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(OCC4=N[N-]N=N4)C=C3)=C2N=C1	REAL300020058041	0	42	-2.0	-108.26	374.88	3.64	-104.62
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(OCC4=NN=N[N-]4)C=C3)=C2N=C1	REAL300020058041	1	42	-2.0	-108.31	374.94	3.66	-104.65
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058042	0	38	-2.0	-93.21	358.55	2.67	-90.54
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058042	1	38	-2.0	-93.23	358.60	2.69	-90.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C(Cl)=C1	REAL300020058044	1	37	-2.0	-94.02	348.10	3.60	-90.42
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C(Cl)=C1	REAL300020058044	1	37	-2.0	-94.00	348.16	3.62	-90.38
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1Cl	REAL300020058046	1	34	-2.0	-86.89	333.08	2.99	-83.90
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1Cl	REAL300020058046	1	34	-2.0	-86.85	333.14	3.01	-83.84
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CN=C1	REAL300020058047	0	33	-2.0	-90.39	308.54	0.59	-89.80
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CN=C1	REAL300020058047	1	33	-2.0	-90.34	308.59	0.60	-89.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C(F)=C1	REAL300020058048	0	37	-2.0	-96.92	340.46	3.11	-93.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C(F)=C1	REAL300020058048	1	37	-2.0	-96.94	340.52	3.13	-93.81
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300020058050	0	37	-2.0	-87.84	353.10	1.16	-86.68
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300020058050	1	37	-2.0	-87.82	353.16	1.18	-86.64
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=CC=C1Cl	REAL300020058052	0	34	-2.0	-90.69	333.08	3.00	-87.69
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=CC=C1Cl	REAL300020058052	1	34	-2.0	-90.70	333.14	3.02	-87.68
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058053	0	38	-2.0	-95.67	356.16	2.23	-93.44
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058053	1	38	-2.0	-95.66	356.22	2.25	-93.41
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=CN=C1Cl	REAL300020058054	0	36	-2.0	-86.06	344.21	1.59	-84.47
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=CN=C1Cl	REAL300020058054	1	36	-2.0	-86.05	344.26	1.60	-84.45
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058055	0	40	-2.0	-101.29	371.77	-0.03	-101.32
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058055	1	40	-2.0	-101.34	371.72	-0.05	-101.39
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058058	0	46	-2.0	-92.26	392.72	2.98	-89.28
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058058	1	46	-2.0	-92.28	392.78	2.99	-89.29
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)SC=C1	REAL300020058059	0	34	-2.0	-94.22	324.29	2.00	-92.22
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)SC=C1	REAL300020058059	1	34	-2.0	-94.21	324.35	2.01	-92.20
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1C	REAL300020058060	0	43	-2.0	-92.07	372.06	2.27	-89.80
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1C	REAL300020058060	1	43	-2.0	-91.98	372.12	2.29	-89.69
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC=C1[N+](=O)[O-]	REAL300020058061	1	39	-2.0	-83.39	357.77	3.55	-79.84
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC=C1[N+](=O)[O-]	REAL300020058061	1	39	-2.0	-83.33	357.82	3.56	-79.77
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058064	0	43	-2.0	-100.65	378.15	3.35	-97.30
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058064	1	43	-2.0	-100.66	378.10	3.33	-97.33
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058066	0	38	-2.0	-94.75	351.20	2.84	-91.91
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058066	1	38	-2.0	-94.77	351.26	2.85	-91.92
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020058070	0	40	-2.0	-90.89	358.32	1.45	-89.44
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020058070	1	40	-2.0	-90.92	358.38	1.47	-89.45
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020058071	0	40	-2.0	-96.56	372.91	1.13	-95.43
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020058071	1	40	-2.0	-96.55	372.96	1.14	-95.41
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=CC=CN=C21	REAL300020058072	0	39	-2.0	-107.87	353.49	3.00	-104.87
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=CC=CN=C21	REAL300020058072	1	39	-2.0	-107.83	353.55	3.02	-104.81
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=C(F)C(F)=C1	REAL300020058073	1	34	-2.0	-79.75	332.55	2.56	-77.19
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=C(F)C(F)=C1	REAL300020058073	1	34	-2.0	-79.78	332.60	2.57	-77.21
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=CN1C	REAL300020058074	1	41	-2.0	-96.15	374.71	2.47	-93.68
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=CN1C	REAL300020058074	1	41	-2.0	-96.11	374.76	2.48	-93.63
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=CN1	REAL300020058076	1	38	-2.0	-93.72	356.95	0.72	-93.00
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=CN1	REAL300020058076	1	38	-2.0	-93.77	357.01	0.73	-93.04
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=CS1	REAL300020058078	0	37	-2.0	-92.49	360.83	2.06	-90.43
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=CS1	REAL300020058078	1	37	-2.0	-92.48	360.89	2.07	-90.41
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300020058079	0	40	-2.0	-87.97	374.96	2.09	-85.88
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300020058079	1	40	-2.0	-87.94	375.02	2.10	-85.84
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058081	1	37	-2.0	-90.50	341.37	3.10	-87.40
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=C2C=CSC2=C1	REAL300020058083	0	36	-2.0	-90.81	345.54	1.85	-88.96
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=C2C=CSC2=C1	REAL300020058083	1	36	-2.0	-90.82	345.60	1.86	-88.96
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(F)C=C1F	REAL300020058085	0	37	-2.0	-89.58	345.74	3.13	-86.45
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(F)C=C1F	REAL300020058085	1	37	-2.0	-89.58	345.80	3.15	-86.43
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300020058086	1	40	-2.0	-100.53	354.60	4.68	-95.85
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300020058086	1	40	-2.0	-100.54	354.66	4.70	-95.84
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)S1	REAL300020058087	0	36	-2.0	-90.91	338.78	0.94	-89.97
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)S1	REAL300020058087	1	36	-2.0	-90.93	338.84	0.96	-89.97
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058089	0	40	-2.0	-89.46	371.45	1.82	-87.64
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058089	1	40	-2.0	-89.49	371.50	1.83	-87.66
COC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)SC=C1	REAL300020058091	0	35	-2.0	-101.22	335.72	0.65	-100.57
COC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)SC=C1	REAL300020058091	1	35	-2.0	-101.21	335.78	0.66	-100.55
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1F	REAL300020058092	0	37	-2.0	-93.26	345.74	3.14	-90.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1F	REAL300020058092	1	37	-2.0	-93.22	345.80	3.16	-90.06
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058093	0	36	-2.0	-97.05	346.86	1.13	-95.92
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058093	1	36	-2.0	-97.02	346.80	1.12	-95.90
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)N=C1Cl	REAL300020058094	0	34	-2.0	-96.15	333.79	1.21	-94.94
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)N=C1Cl	REAL300020058094	1	34	-2.0	-96.23	333.73	1.19	-95.04
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=NON=C21	REAL300020058095	0	35	-2.0	-97.20	329.45	1.12	-96.08
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=NON=C21	REAL300020058095	1	35	-2.0	-97.21	329.39	1.11	-96.10
COC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC(OC)=C1	REAL300020058096	1	42	-2.0	-96.11	372.54	0.98	-95.13
COC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC(OC)=C1	REAL300020058096	1	42	-2.0	-96.12	372.59	0.99	-95.13
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058097	0	40	-2.0	-99.86	359.05	2.76	-97.10
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058097	1	40	-2.0	-99.88	359.00	2.75	-97.13
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(F)=CC(Cl)=C1	REAL300020058098	1	34	-2.0	-85.12	336.69	2.95	-82.17
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(F)=CC(Cl)=C1	REAL300020058098	1	34	-2.0	-85.12	336.75	2.96	-82.16
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020058101	0	39	-2.0	-85.52	364.35	1.21	-84.31
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020058101	1	39	-2.0	-85.55	364.30	1.20	-84.35
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058102	0	37	-2.0	-91.87	353.44	1.11	-90.76
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058102	1	37	-2.0	-91.89	353.50	1.12	-90.77
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020058104	0	41	-2.0	-89.31	373.31	-0.02	-89.33
COCCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020058104	1	41	-2.0	-89.27	373.37	-0.01	-89.28
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C([N+](=O)[O-])=N1	REAL300020058105	0	39	-2.0	-97.28	363.93	3.20	-94.08
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C([N+](=O)[O-])=N1	REAL300020058105	1	39	-2.0	-97.27	363.88	3.19	-94.08
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)S1	REAL300020058106	0	43	-2.0	-93.65	386.55	4.02	-89.63
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)S1	REAL300020058106	1	43	-2.0	-93.63	386.60	4.03	-89.60
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058107	0	40	-2.0	-100.51	360.94	3.13	-97.38
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058107	1	40	-2.0	-100.56	360.88	3.12	-97.44
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(C2CCOC2)N=C1	REAL300020058108	0	42	-2.0	-89.34	371.61	0.12	-89.22
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(C2CCOC2)N=C1	REAL300020058108	1	42	-2.0	-89.33	371.67	0.13	-89.20
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1F	REAL300020058109	0	37	-2.0	-98.88	339.35	3.09	-95.79
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1F	REAL300020058109	1	37	-2.0	-98.85	339.41	3.10	-95.75
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020058110	1	40	-2.0	-87.08	362.58	-0.01	-87.09
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020058110	1	40	-2.0	-87.03	362.64	-0.00	-87.03
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN2CCCCC2=N1	REAL300020058111	0	41	-2.0	-102.61	359.41	2.41	-100.20
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN2CCCCC2=N1	REAL300020058111	1	41	-2.0	-102.62	359.35	2.40	-100.22
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1Cl	REAL300020058112	0	37	-2.0	-95.77	345.44	3.51	-92.26
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1Cl	REAL300020058112	1	37	-2.0	-95.74	345.50	3.53	-92.21
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(C)O1	REAL300020058114	0	37	-2.0	-91.87	336.53	1.95	-89.92
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(C)O1	REAL300020058114	1	37	-2.0	-91.91	336.59	1.96	-89.95
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058115	1	41	-2.0	-92.11	360.15	2.40	-89.71
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058115	1	41	-2.0	-92.11	360.21	2.41	-89.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300020058118	0	34	-2.0	-92.88	318.15	1.17	-91.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300020058118	1	34	-2.0	-92.85	318.21	1.19	-91.66
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058119	0	37	-2.0	-93.62	346.51	2.76	-90.86
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058119	1	37	-2.0	-93.65	346.57	2.77	-90.88
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C2=NC=CC=C2C=C1	REAL300020058121	0	42	-2.0	-107.71	367.18	4.13	-103.58
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C2=NC=CC=C2C=C1	REAL300020058121	1	42	-2.0	-107.67	367.24	4.14	-103.53
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058122	0	37	-2.0	-95.17	348.10	3.60	-91.57
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058122	1	37	-2.0	-95.19	348.16	3.62	-91.57
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)N=C1C	REAL300020058124	0	40	-2.0	-102.02	359.18	2.18	-99.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)N=C1C	REAL300020058124	1	40	-2.0	-102.00	359.13	2.16	-99.84
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C(C)O1	REAL300020058125	0	40	-2.0	-89.45	371.39	1.93	-87.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C(C)O1	REAL300020058125	1	40	-2.0	-89.43	371.45	1.94	-87.49
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=CC(Cl)=C1	REAL300020058126	0	33	-2.0	-85.21	325.31	1.05	-84.16
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=CC(Cl)=C1	REAL300020058126	1	33	-2.0	-85.14	325.37	1.07	-84.07
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058127	0	46	-2.0	-92.73	389.70	2.94	-89.79
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058127	1	46	-2.0	-92.72	389.76	2.95	-89.77
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(F)C=CC=C1Cl	REAL300020058128	0	34	-2.0	-97.38	329.63	3.16	-94.22
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(F)C=CC=C1Cl	REAL300020058128	1	34	-2.0	-97.41	329.68	3.17	-94.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C(Cl)=N1	REAL300020058129	0	36	-2.0	-92.17	343.45	1.68	-90.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C(Cl)=N1	REAL300020058129	1	36	-2.0	-92.19	343.51	1.70	-90.49
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058130	0	39	-2.0	-91.93	362.60	2.56	-89.37
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058130	1	39	-2.0	-91.90	362.65	2.57	-89.33
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)S1	REAL300020058131	0	36	-2.0	-90.05	343.57	0.94	-89.11
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)S1	REAL300020058131	1	36	-2.0	-90.04	343.62	0.96	-89.08
COCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1C	REAL300020058132	0	44	-2.0	-92.62	385.05	0.01	-92.61
COCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1C	REAL300020058132	1	44	-2.0	-92.63	385.10	0.02	-92.61
COC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=CN=C1Cl	REAL300020058133	0	37	-2.0	-84.41	354.40	0.32	-84.09
COC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=CN=C1Cl	REAL300020058133	1	37	-2.0	-84.38	354.46	0.34	-84.04
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)SC=N1	REAL300020058134	0	36	-2.0	-98.91	348.77	0.70	-98.21
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)SC=N1	REAL300020058134	1	36	-2.0	-98.91	348.71	0.68	-98.23
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C(Cl)=C1	REAL300020058135	0	35	-2.0	-86.66	347.44	3.33	-83.33
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C(Cl)=C1	REAL300020058135	1	35	-2.0	-86.59	347.50	3.34	-83.25
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058137	0	34	-2.0	-87.10	342.53	2.59	-84.51
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058137	1	34	-2.0	-87.08	342.59	2.61	-84.47
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058139	1	38	-2.0	-99.02	349.63	3.43	-95.59
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058139	1	38	-2.0	-99.02	349.69	3.45	-95.57
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058142	0	42	-2.0	-105.77	367.53	2.88	-102.89
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058142	1	42	-2.0	-105.77	367.59	2.89	-102.88
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(OCC4=N[N-]N=N4)C=C3)C=C2O1	REAL300020058146	1	39	-2.0	-91.42	357.20	0.03	-91.39
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(OCC4=NN=N[N-]4)C=C3)C=C2O1	REAL300020058146	1	39	-2.0	-91.37	357.26	0.05	-91.32
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=C2CCCN12	REAL300020058148	0	38	-2.0	-95.15	341.54	1.80	-93.35
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=C2CCCN12	REAL300020058148	1	38	-2.0	-95.17	341.59	1.82	-93.35
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(CC(F)F)N=C1	REAL300020058149	0	37	-2.0	-89.93	352.63	1.22	-88.71
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(CC(F)F)N=C1	REAL300020058149	1	37	-2.0	-89.94	352.68	1.23	-88.71
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=CS1	REAL300020058150	0	33	-2.0	-85.58	334.72	2.13	-83.45
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=CS1	REAL300020058150	1	33	-2.0	-85.59	334.78	2.15	-83.44
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058151	0	37	-2.0	-97.48	333.15	3.33	-94.15
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058151	1	37	-2.0	-97.50	333.21	3.34	-94.16
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(OCC4=N[N-]N=N4)C=C3)C=CC=C12	REAL300020058152	0	42	-2.0	-107.71	371.44	3.55	-104.16
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=C(OCC4=NN=N[N-]4)C=C3)C=CC=C12	REAL300020058152	1	42	-2.0	-107.69	371.50	3.56	-104.13
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)S1	REAL300020058157	0	37	-2.0	-97.03	358.56	-0.13	-97.16
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)S1	REAL300020058157	1	37	-2.0	-97.04	358.51	-0.14	-97.18
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058160	0	39	-2.0	-89.76	363.52	1.22	-88.54
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058160	1	39	-2.0	-89.74	363.58	1.24	-88.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020058161	1	37	-2.0	-87.17	340.73	-0.95	-88.12
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020058161	1	37	-2.0	-87.15	340.79	-0.93	-88.08
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058163	0	38	-2.0	-96.93	358.54	2.68	-94.25
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058163	1	38	-2.0	-96.90	358.60	2.70	-94.20
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CNC(C(F)(F)F)=C1	REAL300020058164	1	35	-2.0	-88.95	341.05	1.14	-87.81
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CNC(C(F)(F)F)=C1	REAL300020058164	1	35	-2.0	-88.94	341.11	1.16	-87.78
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=NSN=C21	REAL300020058165	0	35	-2.0	-99.15	338.38	0.68	-98.47
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=NSN=C21	REAL300020058165	1	35	-2.0	-99.12	338.33	0.67	-98.45
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058166	0	37	-2.0	-90.24	338.14	-0.16	-90.40
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058166	1	37	-2.0	-90.17	338.19	-0.15	-90.32
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058167	1	44	-2.0	-99.28	377.10	4.13	-95.15
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058167	1	44	-2.0	-99.28	377.16	4.14	-95.14
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C(F)=C1	REAL300020058170	0	38	-2.0	-94.48	348.54	1.72	-92.76
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C(F)=C1	REAL300020058170	1	38	-2.0	-94.47	348.59	1.74	-92.73
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020058171	1	36	-2.0	-90.81	330.17	1.18	-89.63
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020058171	1	36	-2.0	-90.80	330.23	1.19	-89.61
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2N=C1	REAL300020058172	1	39	-2.0	-93.00	354.76	2.73	-90.27
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2N=C1	REAL300020058172	1	39	-2.0	-92.99	354.81	2.75	-90.24
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CSC=C1	REAL300020058180	1	31	-2.0	-90.57	304.66	1.28	-89.29
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CSC=C1	REAL300020058180	1	31	-2.0	-90.56	304.71	1.29	-89.27
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=COC=C1	REAL300020058181	0	31	-2.0	-90.59	296.09	0.25	-90.34
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=COC=C1	REAL300020058181	1	31	-2.0	-90.56	296.15	0.26	-90.30
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC=C1F	REAL300020058182	0	34	-2.0	-93.25	335.79	2.95	-90.30
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC=C1F	REAL300020058182	1	34	-2.0	-93.26	335.84	2.97	-90.29
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CSC2=CC=CC=C12	REAL300020058183	0	37	-2.0	-94.57	350.13	3.73	-90.84
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CSC2=CC=CC=C12	REAL300020058183	1	37	-2.0	-94.58	350.18	3.74	-90.84
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=C1OCO2	REAL300020058185	0	37	-2.0	-97.60	340.16	1.00	-96.60
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OCO2	REAL300020058185	1	37	-2.0	-97.62	340.22	1.01	-96.61
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(Cl)C=CS1	REAL300020058187	0	31	-2.0	-92.86	321.53	1.82	-91.04
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(Cl)C=CS1	REAL300020058187	1	31	-2.0	-92.90	321.59	1.84	-91.06
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058188	0	34	-2.0	-92.57	327.12	2.03	-90.54
CC1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058188	1	34	-2.0	-92.57	327.18	2.05	-90.52
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2OC=CC2=CC=C1	REAL300020058190	0	37	-2.0	-101.32	341.49	2.68	-98.64
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2OC=CC2=CC=C1	REAL300020058190	1	37	-2.0	-101.30	341.54	2.70	-98.60
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=CC(F)=CC=C2O1	REAL300020058193	0	37	-2.0	-90.24	349.74	2.82	-87.42
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=CC(F)=CC=C2O1	REAL300020058193	1	37	-2.0	-90.23	349.80	2.84	-87.39
O=C1CCCC2=CC(S(=O)(=O)[N-]C3=CC=C(OCC4=N[N-]N=N4)C=C3)=CC=C12	REAL300020058195	1	43	-2.0	-93.50	378.38	3.97	-89.53
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1F	REAL300020058196	1	35	-2.0	-84.00	340.26	2.80	-81.20
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1F	REAL300020058196	1	35	-2.0	-83.96	340.32	2.82	-81.14
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2OCCCN2N=C1	REAL300020058199	0	39	-2.0	-98.37	350.61	-0.71	-99.08
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2OCCCN2N=C1	REAL300020058199	1	39	-2.0	-98.35	350.55	-0.72	-99.07
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)S1	REAL300020058200	0	37	-2.0	-94.64	345.00	2.90	-91.74
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)S1	REAL300020058200	1	37	-2.0	-94.66	345.06	2.92	-91.74
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=NN1C	REAL300020058201	0	37	-2.0	-92.00	336.46	0.58	-91.42
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=NN1C	REAL300020058201	1	37	-2.0	-92.05	336.52	0.59	-91.46
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058202	0	34	-2.0	-84.61	329.42	0.96	-83.65
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058202	1	34	-2.0	-84.54	329.48	0.98	-83.56
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058203	0	37	-2.0	-91.61	338.75	0.66	-90.95
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058203	1	37	-2.0	-91.60	338.81	0.68	-90.92
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2N=CSC2=CC=C1	REAL300020058205	0	36	-2.0	-102.85	344.81	1.80	-101.05
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2N=CSC2=CC=C1	REAL300020058205	1	36	-2.0	-102.85	344.75	1.78	-101.07
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(F)C2=CC=CC=C2C=C1	REAL300020058207	0	40	-2.0	-100.73	364.07	4.68	-96.05
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(F)C2=CC=CC=C2C=C1	REAL300020058207	1	40	-2.0	-100.75	364.13	4.69	-96.06
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058208	1	37	-2.0	-93.96	340.70	3.87	-90.09
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058208	1	37	-2.0	-93.94	340.76	3.89	-90.05
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=C1OCC2	REAL300020058209	0	39	-2.0	-102.26	349.86	2.19	-100.07
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OCC2	REAL300020058209	1	39	-2.0	-102.33	349.92	2.20	-100.13
O=[N+]([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058211	1	36	-2.0	-90.90	341.79	3.03	-87.87
O=[N+]([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058211	1	36	-2.0	-90.87	341.84	3.05	-87.82
COC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058212	0	41	-2.0	-101.08	363.22	2.83	-98.25
COC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058212	1	41	-2.0	-101.08	363.28	2.84	-98.24
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CSC=N1	REAL300020058214	0	30	-2.0	-94.65	299.92	-0.74	-95.39
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CSC=N1	REAL300020058214	1	30	-2.0	-94.65	299.86	-0.76	-95.41
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058215	0	38	-2.0	-97.19	348.22	2.22	-94.97
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058215	1	38	-2.0	-97.18	348.28	2.24	-94.94
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1Cl	REAL300020058216	1	37	-2.0	-84.26	356.81	-0.40	-84.66
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1Cl	REAL300020058216	1	37	-2.0	-84.24	356.87	-0.39	-84.63
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1C#N	REAL300020058220	0	38	-2.0	-101.33	350.82	3.14	-98.19
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1C#N	REAL300020058220	1	38	-2.0	-101.30	350.88	3.15	-98.15
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=C1OCCC2	REAL300020058221	0	42	-2.0	-102.07	365.75	3.57	-98.50
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OCCC2	REAL300020058221	1	42	-2.0	-102.03	365.81	3.58	-98.45
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)N(C)N=C1	REAL300020058223	0	40	-2.0	-93.05	362.81	1.46	-91.59
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)N(C)N=C1	REAL300020058223	1	40	-2.0	-93.04	362.76	1.44	-91.60
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)N1C	REAL300020058224	0	37	-2.0	-92.70	335.15	1.29	-91.41
CC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)N1C	REAL300020058224	1	37	-2.0	-92.66	335.21	1.30	-91.36
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)O1	REAL300020058225	0	40	-2.0	-89.06	371.00	1.74	-87.32
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300020058225	1	40	-2.0	-89.04	371.05	1.76	-87.28
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=C(C2CC2)S1	REAL300020058226	0	37	-2.0	-90.73	353.30	1.87	-88.86
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=C(C2CC2)S1	REAL300020058226	1	37	-2.0	-90.72	353.36	1.88	-88.84
COC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058227	0	38	-2.0	-92.54	348.22	2.22	-90.32
COC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058227	1	38	-2.0	-92.52	348.27	2.24	-90.28
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C(F)=C1F	REAL300020058228	0	37	-2.0	-95.65	345.64	3.15	-92.50
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C(F)=C1F	REAL300020058228	1	37	-2.0	-95.68	345.70	3.16	-92.52
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300020058229	0	36	-2.0	-104.63	340.68	1.36	-103.27
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300020058229	1	36	-2.0	-104.63	340.62	1.35	-103.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C2=CC=CC=C2C=C1	REAL300020058230	1	43	-2.0	-99.43	368.58	5.64	-93.79
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058231	0	33	-2.0	-86.72	322.05	0.67	-86.05
CC1=NSC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058231	1	33	-2.0	-86.71	322.10	0.68	-86.03
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020058233	1	43	-2.0	-87.48	382.73	0.92	-86.56
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020058233	1	43	-2.0	-87.44	382.78	0.93	-86.51
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C)=N1	REAL300020058234	0	46	-2.0	-91.20	403.30	3.07	-88.13
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C)=N1	REAL300020058234	1	46	-2.0	-91.20	403.36	3.08	-88.12
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058235	0	38	-2.0	-93.68	346.35	2.51	-91.17
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058235	1	38	-2.0	-93.66	346.41	2.53	-91.13
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058236	1	35	-2.0	-84.84	340.79	2.82	-82.02
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058236	1	35	-2.0	-84.81	340.85	2.84	-81.97
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C([N+](=O)[O-])S1	REAL300020058237	0	36	-2.0	-98.05	348.13	3.57	-94.48
CC1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C([N+](=O)[O-])S1	REAL300020058237	1	36	-2.0	-98.02	348.19	3.58	-94.44
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2C=CC=CN2N=C1	REAL300020058238	0	37	-2.0	-99.90	343.21	2.08	-97.82
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2C=CC=CN2N=C1	REAL300020058238	1	37	-2.0	-99.90	343.15	2.07	-97.83
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CNC2=CC=CC=C12	REAL300020058239	0	38	-2.0	-100.04	347.29	2.33	-97.71
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CNC2=CC=CC=C12	REAL300020058239	1	38	-2.0	-100.02	347.35	2.34	-97.68
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C(C)(C)C)=N1	REAL300020058240	0	46	-2.0	-90.00	381.91	2.96	-87.04
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C(C)(C)C)=N1	REAL300020058240	1	46	-2.0	-90.02	381.86	2.95	-87.07
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(C2CCCC2)N=C1	REAL300020058241	0	44	-2.0	-90.66	380.96	2.72	-87.94
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(C2CCCC2)N=C1	REAL300020058241	1	44	-2.0	-90.65	381.02	2.74	-87.91
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058243	0	37	-2.0	-106.09	344.61	0.04	-106.05
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058243	1	37	-2.0	-106.15	344.55	0.03	-106.12
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058244	0	40	-2.0	-91.36	356.36	1.52	-89.84
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058244	1	40	-2.0	-91.34	356.42	1.54	-89.80
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1F	REAL300020058245	1	39	-2.0	-92.97	359.34	2.86	-90.11
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1F	REAL300020058245	1	39	-2.0	-92.98	359.40	2.87	-90.11
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NS1	REAL300020058250	0	30	-2.0	-86.51	300.29	0.07	-86.44
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NS1	REAL300020058250	1	30	-2.0	-86.46	300.35	0.09	-86.37
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058251	0	34	-2.0	-84.03	332.86	-1.82	-85.85
COC1=NSC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058251	1	34	-2.0	-84.07	332.80	-1.83	-85.90
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=NN1C1=CC=CC=C1	REAL300020058253	0	40	-2.0	-90.89	364.30	2.11	-88.78
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=NN1C1=CC=CC=C1	REAL300020058253	1	40	-2.0	-90.91	364.24	2.10	-88.81
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CSC=C1C(F)F	REAL300020058255	0	34	-2.0	-97.87	328.27	2.49	-95.38
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CSC=C1C(F)F	REAL300020058255	1	34	-2.0	-97.84	328.33	2.50	-95.34
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC2=CC=NC=C21	REAL300020058256	1	39	-2.0	-100.50	349.80	2.88	-97.62
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC2=CC=NC=C21	REAL300020058256	1	39	-2.0	-100.50	349.86	2.89	-97.61
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058257	0	41	-2.0	-94.86	374.97	2.56	-92.30
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058257	1	41	-2.0	-94.89	375.03	2.58	-92.31
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)N=N1	REAL300020058258	0	33	-2.0	-95.09	312.41	-1.29	-96.38
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)N=N1	REAL300020058258	1	33	-2.0	-95.12	312.35	-1.31	-96.43
COC1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058259	0	37	-2.0	-96.66	339.57	-0.44	-97.10
COC1=NC=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058259	1	37	-2.0	-96.65	339.51	-0.45	-97.10
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(C2CCC2)N=C1	REAL300020058260	0	41	-2.0	-90.90	363.45	2.04	-88.86
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(C2CCC2)N=C1	REAL300020058260	1	41	-2.0	-90.90	363.51	2.06	-88.84
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NN1C1CCC1	REAL300020058261	0	41	-2.0	-89.62	362.08	2.20	-87.42
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NN1C1CCC1	REAL300020058261	1	41	-2.0	-89.62	362.03	2.19	-87.43
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NN1CC1CCC1	REAL300020058262	0	44	-2.0	-89.23	383.16	2.90	-86.33
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NN1CC1CCC1	REAL300020058262	1	44	-2.0	-89.22	383.11	2.89	-86.33
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=C2CCCCN12	REAL300020058263	0	41	-2.0	-92.88	356.48	2.43	-90.45
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=C2CCCCN12	REAL300020058263	1	41	-2.0	-92.87	356.54	2.45	-90.42
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1F	REAL300020058264	1	38	-2.0	-83.50	359.43	1.92	-81.58
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1F	REAL300020058265	0	38	-2.0	-91.48	354.73	1.81	-89.67
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1F	REAL300020058265	1	38	-2.0	-91.47	354.79	1.82	-89.65
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058266	1	37	-2.0	-89.14	336.97	3.06	-86.08
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058266	1	37	-2.0	-89.19	337.03	3.08	-86.11
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(OCC4=N[N-]N=N4)C=C3)=C2O1	REAL300020058267	0	42	-2.0	-103.12	370.73	2.95	-100.17
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(OCC4=NN=N[N-]4)C=C3)=C2O1	REAL300020058267	1	42	-2.0	-103.12	370.79	2.96	-100.16
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)S1	REAL300020058268	0	42	-2.0	-90.17	382.28	2.04	-88.13
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)S1	REAL300020058268	1	42	-2.0	-90.20	382.22	2.03	-88.17
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058270	0	38	-2.0	-95.60	353.55	2.98	-92.62
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058270	1	38	-2.0	-95.54	353.61	3.00	-92.54
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CSC=C1Cl	REAL300020058271	0	31	-2.0	-90.46	318.98	1.80	-88.66
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CSC=C1Cl	REAL300020058271	1	31	-2.0	-90.45	319.03	1.81	-88.64
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058272	0	39	-2.0	-106.43	355.30	1.95	-104.48
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058272	1	39	-2.0	-106.43	355.35	1.97	-104.46
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=NON=C2C=C1	REAL300020058273	1	35	-2.0	-83.11	328.45	1.15	-81.96
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=NON=C2C=C1	REAL300020058273	1	35	-2.0	-83.06	328.51	1.17	-81.89
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC2=CC=CC=C2S1	REAL300020058274	0	37	-2.0	-94.78	352.41	3.79	-90.99
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=CC=CC=C2S1	REAL300020058274	1	37	-2.0	-94.80	352.46	3.81	-90.99
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058275	0	41	-2.0	-87.68	364.48	2.13	-85.55
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058275	1	41	-2.0	-87.65	364.54	2.15	-85.50
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1OC	REAL300020058277	0	42	-2.0	-98.17	369.33	2.29	-95.88
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1OC	REAL300020058277	1	42	-2.0	-98.12	369.39	2.31	-95.81
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=COC2=CC=CC=C12	REAL300020058278	0	37	-2.0	-95.65	343.33	2.65	-93.00
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=COC2=CC=CC=C12	REAL300020058278	1	37	-2.0	-95.65	343.38	2.67	-92.98
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C2CC2)=N1	REAL300020058279	0	41	-2.0	-94.38	368.82	2.29	-92.09
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C2CC2)=N1	REAL300020058279	1	41	-2.0	-94.37	368.87	2.31	-92.06
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(F)C=CC2=C1OCO2	REAL300020058281	0	37	-2.0	-99.88	342.99	1.58	-98.30
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(F)C=CC2=C1OCO2	REAL300020058281	1	37	-2.0	-99.90	343.05	1.60	-98.30
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(OCC4=NN=N[N-]4)C=C3)C=CC=C21	REAL300020058282	0	39	-2.0	-108.84	358.16	0.78	-108.06
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=C(OCC4=N[N-]N=N4)C=C3)C=CC=C21	REAL300020058282	1	39	-2.0	-108.85	358.10	0.77	-108.08
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058283	0	34	-2.0	-90.55	330.90	-1.75	-92.30
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058283	1	34	-2.0	-90.54	330.85	-1.76	-92.30
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020058284	0	43	-2.0	-91.60	378.05	2.08	-89.52
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020058284	1	43	-2.0	-91.56	378.11	2.09	-89.47
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2C=COC2=C(F)C=C1	REAL300020058285	1	37	-2.0	-91.33	347.27	2.75	-88.58
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2C=COC2=C(F)C=C1	REAL300020058285	1	37	-2.0	-91.32	347.33	2.77	-88.55
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C2CCC2)=N1	REAL300020058286	0	44	-2.0	-93.90	385.78	2.74	-91.16
CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C2CCC2)=N1	REAL300020058286	1	44	-2.0	-93.91	385.83	2.76	-91.15
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(Cl)SC=C1	REAL300020058287	0	31	-2.0	-90.15	319.39	1.91	-88.24
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(Cl)SC=C1	REAL300020058287	1	31	-2.0	-90.17	319.45	1.92	-88.25
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(CC2CCC2)N=C1	REAL300020058288	0	44	-2.0	-91.16	387.59	3.02	-88.14
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(CC2CCC2)N=C1	REAL300020058288	1	44	-2.0	-91.19	387.53	3.01	-88.18
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(C2CC2)C=CS1	REAL300020058289	0	38	-2.0	-96.53	350.30	3.57	-92.96
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(C2CC2)C=CS1	REAL300020058289	1	38	-2.0	-96.53	350.36	3.58	-92.95
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058291	0	41	-2.0	-90.83	359.27	1.90	-88.93
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058291	1	41	-2.0	-90.81	359.33	1.91	-88.90
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058293	0	43	-2.0	-89.38	363.07	2.08	-87.30
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058293	1	43	-2.0	-89.38	363.01	2.07	-87.31
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058295	0	37	-2.0	-87.48	335.73	0.59	-86.89
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058295	1	37	-2.0	-87.47	335.79	0.60	-86.87
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1C(F)F	REAL300020058297	1	37	-2.0	-101.42	334.54	3.66	-97.76
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1C(F)F	REAL300020058297	1	37	-2.0	-101.43	334.60	3.67	-97.76
COC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CS1	REAL300020058300	0	35	-2.0	-96.73	335.82	0.80	-95.93
COC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CS1	REAL300020058300	1	35	-2.0	-96.72	335.87	0.82	-95.90
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C2CC2)C=C1F	REAL300020058301	0	41	-2.0	-95.68	368.27	4.53	-91.15
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C2CC2)C=C1F	REAL300020058301	1	41	-2.0	-95.67	368.33	4.55	-91.12
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NN1C1CCCC1	REAL300020058302	0	44	-2.0	-88.35	378.38	2.97	-85.38
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NN1C1CCCC1	REAL300020058302	1	44	-2.0	-88.39	378.32	2.96	-85.43
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058303	0	43	-2.0	-89.46	374.75	2.21	-87.25
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058303	1	43	-2.0	-89.49	374.69	2.19	-87.30
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C(F)(F)F)O1	REAL300020058304	0	34	-2.0	-86.29	337.41	1.58	-84.71
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)O1	REAL300020058304	1	34	-2.0	-86.24	337.47	1.59	-84.65
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058305	0	38	-2.0	-90.25	354.48	2.29	-87.96
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058305	1	38	-2.0	-90.25	354.54	2.31	-87.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)S1	REAL300020058308	0	35	-2.0	-90.81	337.35	0.82	-89.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)S1	REAL300020058308	1	35	-2.0	-90.79	337.41	0.83	-89.96
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN(CCF)N=C1	REAL300020058309	0	37	-2.0	-88.57	346.23	1.06	-87.51
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN(CCF)N=C1	REAL300020058309	1	37	-2.0	-88.56	346.28	1.08	-87.48
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC=C1CF	REAL300020058311	1	37	-2.0	-95.03	335.19	3.28	-91.75
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1CF	REAL300020058311	1	37	-2.0	-95.01	335.25	3.30	-91.71
CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058312	0	36	-2.0	-90.58	330.01	1.22	-89.36
CC1=CN=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058312	1	36	-2.0	-90.61	330.07	1.24	-89.37
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1Cl	REAL300020058313	0	37	-2.0	-88.74	355.30	1.30	-87.44
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1Cl	REAL300020058313	1	37	-2.0	-88.77	355.24	1.29	-87.48
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(Cl)O1	REAL300020058314	0	31	-2.0	-87.18	313.30	0.97	-86.21
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Cl)O1	REAL300020058314	1	31	-2.0	-87.21	313.36	0.99	-86.22
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C2CC2)S1	REAL300020058318	0	38	-2.0	-93.03	357.38	3.69	-89.34
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C2CC2)S1	REAL300020058318	1	38	-2.0	-93.05	357.43	3.70	-89.35
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300020058320	0	36	-2.0	-91.01	334.32	-0.76	-91.77
CCN1N=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300020058320	1	36	-2.0	-90.98	334.27	-0.77	-91.75
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1	REAL300020058321	0	40	-2.0	-91.16	373.81	0.19	-90.97
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=NN1	REAL300020058321	1	40	-2.0	-91.16	373.76	0.18	-90.98
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1OC	REAL300020058322	0	39	-2.0	-95.10	366.51	0.38	-94.72
COC1=CSC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1OC	REAL300020058322	1	39	-2.0	-95.07	366.57	0.40	-94.67
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020058323	1	45	-2.0	-90.52	387.82	3.19	-87.33
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020058323	1	45	-2.0	-90.52	387.88	3.20	-87.32
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058324	0	40	-2.0	-90.99	358.03	2.32	-88.67
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058324	1	40	-2.0	-91.04	357.97	2.30	-88.74
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1Cl	REAL300020058326	0	34	-2.0	-88.53	333.49	0.43	-88.10
CN1N=CC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1Cl	REAL300020058326	1	34	-2.0	-88.54	333.44	0.42	-88.12
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058327	1	40	-2.0	-103.89	351.38	4.19	-99.70
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058327	1	40	-2.0	-103.87	351.44	4.21	-99.66
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(OCC4=N[N-]N=N4)C=C3)=C21	REAL300020058328	0	41	-2.0	-94.13	354.50	4.29	-89.84
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=C(OCC4=NN=N[N-]4)C=C3)=C21	REAL300020058328	1	41	-2.0	-94.06	354.55	4.31	-89.75
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C2CC2)=N1	REAL300020058329	0	44	-2.0	-94.45	390.35	3.16	-91.29
CCN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C2CC2)=N1	REAL300020058329	1	44	-2.0	-94.46	390.41	3.17	-91.29
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(Cl)OC=C1	REAL300020058330	0	31	-2.0	-89.91	312.32	0.87	-89.04
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(Cl)OC=C1	REAL300020058330	1	31	-2.0	-89.88	312.38	0.89	-88.99
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=CS1	REAL300020058331	0	31	-2.0	-87.91	322.36	1.88	-86.03
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=CS1	REAL300020058331	1	31	-2.0	-87.94	322.42	1.90	-86.04
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058332	0	42	-2.0	-88.07	365.84	0.12	-87.95
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058332	1	42	-2.0	-88.09	365.90	0.13	-87.96
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C)=N1	REAL300020058334	1	40	-2.0	-87.20	355.98	-0.18	-87.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C)=N1	REAL300020058334	1	40	-2.0	-87.16	356.04	-0.17	-87.33
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058335	0	40	-2.0	-97.46	361.00	0.21	-97.25
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058335	1	40	-2.0	-97.49	360.95	0.20	-97.29
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058336	0	37	-2.0	-91.80	356.31	0.08	-91.72
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058336	1	37	-2.0	-91.83	356.25	0.06	-91.77
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1C	REAL300020058337	1	40	-2.0	-88.58	360.87	-0.22	-88.80
COC1=NC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1C	REAL300020058337	1	40	-2.0	-88.55	360.93	-0.21	-88.76
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020058338	0	43	-2.0	-90.45	376.57	2.53	-87.92
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020058338	1	43	-2.0	-90.49	376.52	2.51	-87.98
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058339	0	43	-2.0	-91.72	378.97	2.03	-89.69
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058339	1	43	-2.0	-91.74	379.03	2.04	-89.70
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=CO1	REAL300020058340	0	32	-2.0	-92.74	316.51	0.78	-91.96
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CO1	REAL300020058340	1	32	-2.0	-92.71	316.57	0.80	-91.91
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)SC=C1	REAL300020058341	0	32	-2.0	-96.19	325.61	1.71	-94.48
N#CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)SC=C1	REAL300020058341	1	32	-2.0	-96.14	325.66	1.72	-94.42
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020058342	0	40	-2.0	-88.97	356.47	1.55	-87.42
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020058342	1	40	-2.0	-88.98	356.53	1.56	-87.42
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NN1CC1CC1	REAL300020058343	0	41	-2.0	-89.06	367.62	2.37	-86.69
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NN1CC1CC1	REAL300020058343	1	41	-2.0	-89.03	367.56	2.35	-86.68
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=NN1C1=CC=CC=C1	REAL300020058344	0	41	-2.0	-96.09	369.80	3.38	-92.71
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=NN1C1=CC=CC=C1	REAL300020058344	1	41	-2.0	-96.08	369.85	3.40	-92.68
COC(=O)C1=NOC(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300020058345	0	36	-2.0	-82.66	347.68	0.39	-82.27
COC(=O)C1=NOC(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300020058345	1	36	-2.0	-82.65	347.63	0.37	-82.28
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)N=CN1	REAL300020058347	0	34	-2.0	-100.62	312.73	0.48	-100.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)N=CN1	REAL300020058347	1	34	-2.0	-100.60	312.67	0.46	-100.14
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=NN1C(C)C	REAL300020058348	0	43	-2.0	-92.50	378.05	2.11	-90.39
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=NN1C(C)C	REAL300020058348	1	43	-2.0	-92.50	378.11	2.12	-90.38
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=CC(C(F)F)=C1	REAL300020058349	0	36	-2.0	-88.23	340.91	1.39	-86.84
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=CC(C(F)F)=C1	REAL300020058349	1	36	-2.0	-88.20	340.97	1.41	-86.79
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(C(F)F)=CC=C1F	REAL300020058351	0	37	-2.0	-102.39	353.22	3.37	-99.02
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(C(F)F)=CC=C1F	REAL300020058351	1	37	-2.0	-102.42	353.28	3.38	-99.04
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NN(C2CC2(F)F)C=C1	REAL300020058352	0	38	-2.0	-103.61	361.50	1.65	-101.96
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NN(C2CC2(F)F)C=C1	REAL300020058352	1	38	-2.0	-103.60	361.45	1.63	-101.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C2=NC=CC=C12	REAL300020058353	0	42	-2.0	-108.24	371.29	3.53	-104.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C2=NC=CC=C12	REAL300020058353	1	42	-2.0	-108.22	371.35	3.55	-104.67
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C(Cl)S1	REAL300020058354	1	34	-2.0	-87.59	338.83	2.76	-84.83
CC1=C(S(=O)(=O)[N-]C2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C(Cl)S1	REAL300020058354	1	34	-2.0	-87.58	338.89	2.78	-84.80
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN=CS1	REAL300020058355	0	30	-2.0	-88.73	300.20	-0.51	-89.24
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CN=CS1	REAL300020058355	1	30	-2.0	-88.74	300.14	-0.52	-89.26
O=S(=O)([N-]C1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2CCCCN2N=C1	REAL300020058356	0	41	-2.0	-94.05	359.28	1.68	-92.37
O=S(=O)([N-]C1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2CCCCN2N=C1	REAL300020058356	1	41	-2.0	-94.02	359.34	1.70	-92.32
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058357	0	36	-2.0	-98.43	320.63	1.92	-96.51
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058357	1	36	-2.0	-98.35	320.69	1.91	-96.44
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1	REAL300020058358	1	30	-2.0	-93.43	299.76	3.35	-90.08
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Br)C=C1	REAL300020058359	1	30	-2.0	-93.43	304.33	3.46	-89.97
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Br)C=C1	REAL300020058359	1	30	-2.0	-93.41	304.39	3.45	-89.96
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058360	0	32	-2.0	-88.68	311.24	3.51	-85.17
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058360	1	32	-2.0	-88.63	311.30	3.51	-85.12
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2C=C1	REAL300020058361	1	36	-2.0	-102.54	328.96	5.12	-97.42
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2C=C1	REAL300020058361	1	36	-2.0	-102.54	329.02	5.11	-97.43
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020058362	1	30	-2.0	-99.85	283.01	2.84	-97.01
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058363	0	35	-2.0	-95.41	326.73	4.29	-91.12
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058363	1	35	-2.0	-95.36	326.79	4.28	-91.08
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020058364	0	32	-2.0	-91.39	323.69	3.89	-87.50
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020058364	1	32	-2.0	-91.36	323.75	3.88	-87.48
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CS1	REAL300020058365	0	27	-2.0	-97.73	274.95	1.84	-95.89
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CS1	REAL300020058365	1	27	-2.0	-97.70	275.01	1.84	-95.86
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058367	0	32	-2.0	-111.25	304.10	4.26	-106.99
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058367	1	32	-2.0	-111.28	304.16	4.25	-107.03
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1F	REAL300020058370	0	30	-2.0	-95.91	294.93	2.97	-92.94
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C=C1F	REAL300020058370	1	30	-2.0	-95.97	294.98	2.96	-93.01
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(F)=C1	REAL300020058372	1	30	-2.0	-96.56	289.43	2.91	-93.65
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(F)=C1	REAL300020058372	1	30	-2.0	-96.57	289.49	2.90	-93.67
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=CC(F)=C1	REAL300020058373	0	30	-2.0	-90.76	295.84	2.98	-87.78
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=CC(F)=C1	REAL300020058373	1	30	-2.0	-90.73	295.90	2.97	-87.76
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020058378	1	30	-2.0	-91.06	314.93	3.82	-87.24
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020058378	1	30	-2.0	-91.04	314.99	3.81	-87.23
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C(F)=C1	REAL300020058379	1	30	-2.0	-90.30	295.72	2.96	-87.34
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C(F)=C1	REAL300020058379	1	30	-2.0	-90.26	295.78	2.95	-87.31
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020058380	1	33	-2.0	-95.98	321.75	3.84	-92.14
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020058380	1	33	-2.0	-95.93	321.81	3.84	-92.09
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058381	1	33	-2.0	-100.58	304.43	3.51	-97.07
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1C(F)(F)F	REAL300020058383	0	33	-2.0	-102.71	308.89	4.22	-98.49
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1C(F)(F)F	REAL300020058383	1	33	-2.0	-102.71	308.95	4.21	-98.50
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1F	REAL300020058384	0	30	-2.0	-104.15	288.52	2.89	-101.26
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1F	REAL300020058384	1	30	-2.0	-104.08	288.58	2.89	-101.19
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(Cl)=C1	REAL300020058385	1	30	-2.0	-96.37	299.75	3.36	-93.01
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(Cl)=C1	REAL300020058385	1	30	-2.0	-96.33	299.81	3.35	-92.98
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058386	1	35	-2.0	-98.57	324.26	3.25	-95.32
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058386	1	35	-2.0	-98.51	324.32	3.25	-95.26
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C(Cl)=C1	REAL300020058389	1	30	-2.0	-90.50	305.61	3.41	-87.09
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058390	1	35	-2.0	-109.51	325.79	3.32	-106.19
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058390	1	35	-2.0	-109.48	325.85	3.31	-106.17
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058392	1	39	-2.0	-94.59	359.67	4.43	-90.16
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058392	1	39	-2.0	-94.51	359.73	4.42	-90.09
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(Cl)=C1Cl	REAL300020058393	0	30	-2.0	-98.16	311.34	3.86	-94.30
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(Cl)=C1Cl	REAL300020058393	1	30	-2.0	-98.14	311.39	3.86	-94.28
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020058394	1	36	-2.0	-97.44	338.53	3.59	-93.85
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020058394	1	36	-2.0	-97.41	338.59	3.58	-93.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020058398	0	30	-2.0	-98.88	296.83	2.64	-96.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020058398	1	30	-2.0	-98.89	296.89	2.63	-96.26
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020058399	0	32	-2.0	-88.79	324.37	4.08	-84.71
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020058399	1	32	-2.0	-88.79	324.43	4.07	-84.72
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)C=CC=C1Cl	REAL300020058400	0	30	-2.0	-100.53	306.63	4.16	-96.37
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)C=CC=C1Cl	REAL300020058400	1	30	-2.0	-100.57	306.69	4.15	-96.42
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=CN=CC=C21	REAL300020058403	1	35	-2.0	-106.11	319.38	3.37	-102.74
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=CN=CC=C21	REAL300020058403	1	35	-2.0	-106.03	319.45	3.36	-102.67
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300020058404	0	32	-2.0	-91.44	316.73	3.58	-87.86
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300020058404	1	32	-2.0	-91.40	316.80	3.57	-87.83
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058405	0	39	-2.0	-110.13	363.04	1.35	-108.78
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058405	1	39	-2.0	-110.14	363.10	1.34	-108.80
O=[N+]([O-])C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058406	0	32	-2.0	-108.18	316.44	4.23	-103.95
O=[N+]([O-])C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058406	1	32	-2.0	-108.11	316.50	4.21	-103.90
CN1C=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL300020058408	0	30	-2.0	-105.16	287.86	0.38	-104.78
CN1C=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL300020058408	1	30	-2.0	-105.12	287.93	0.37	-104.75
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020058409	0	40	-2.0	-97.87	369.00	4.40	-93.47
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020058409	1	40	-2.0	-97.85	369.05	4.39	-93.46
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020058410	0	40	-2.0	-97.64	376.23	1.82	-95.82
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020058410	1	40	-2.0	-97.56	376.29	1.81	-95.75
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1F	REAL300020058412	1	36	-2.0	-100.58	348.11	0.39	-100.19
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1F	REAL300020058412	1	36	-2.0	-100.55	348.17	0.38	-100.17
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C2=CC=CC=C12	REAL300020058413	1	43	-2.0	-104.45	374.24	5.43	-99.02
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C2=CC=CC=C12	REAL300020058413	1	43	-2.0	-104.44	374.30	5.42	-99.02
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058414	0	40	-2.0	-107.90	354.54	4.22	-103.68
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058414	1	40	-2.0	-107.86	354.60	4.21	-103.65
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(N2C=NN=N2)=C1	REAL300020058415	1	35	-2.0	-109.40	331.29	3.02	-106.38
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(N2C=NN=N2)=C1	REAL300020058415	1	35	-2.0	-109.38	331.35	3.01	-106.37
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020058416	0	37	-2.0	-98.47	343.58	3.95	-94.52
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020058416	1	37	-2.0	-98.46	343.65	3.94	-94.52
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058419	0	33	-2.0	-98.35	331.07	2.50	-95.85
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058419	1	33	-2.0	-98.33	331.13	2.49	-95.84
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058420	0	36	-2.0	-103.95	343.28	3.55	-100.40
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058420	1	36	-2.0	-103.94	343.34	3.54	-100.40
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=CC(F)=C1	REAL300020058421	0	29	-2.0	-90.84	284.42	1.12	-89.72
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=CC(F)=C1	REAL300020058421	1	29	-2.0	-90.79	284.48	1.11	-89.68
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300020058422	1	40	-2.0	-97.10	363.26	3.75	-93.35
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL300020058422	1	40	-2.0	-97.15	363.32	3.75	-93.40
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300020058424	0	34	-2.0	-102.20	321.01	2.41	-99.79
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300020058424	1	34	-2.0	-102.16	321.07	2.40	-99.76
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058426	1	38	-2.0	-102.15	359.64	-1.00	-103.15
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058426	1	38	-2.0	-102.11	359.70	-1.00	-103.11
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058427	0	39	-2.0	-110.84	355.20	4.50	-106.34
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058427	1	39	-2.0	-110.85	355.25	4.51	-106.34
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1OC(F)F	REAL300020058428	0	34	-2.0	-101.86	321.03	2.88	-98.98
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1OC(F)F	REAL300020058428	1	34	-2.0	-101.83	321.10	2.88	-98.95
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058429	1	34	-2.0	-97.62	323.21	3.86	-93.76
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=C1OCCO2	REAL300020058431	0	36	-2.0	-105.15	326.14	2.49	-102.66
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=C1OCCO2	REAL300020058431	1	36	-2.0	-105.10	326.21	2.48	-102.62
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=NC=CC=C12	REAL300020058432	1	35	-2.0	-100.90	319.18	3.27	-97.63
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=NC=CC=C12	REAL300020058432	1	35	-2.0	-100.86	319.24	3.26	-97.60
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(F)=C1F	REAL300020058433	0	30	-2.0	-102.30	294.81	2.97	-99.33
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(F)=C1F	REAL300020058433	1	30	-2.0	-102.30	294.87	2.96	-99.34
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(Br)=CC=C1F	REAL300020058434	0	30	-2.0	-98.63	309.81	3.53	-95.10
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(Br)=CC=C1F	REAL300020058434	1	30	-2.0	-98.62	309.88	3.52	-95.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1C(F)(F)F	REAL300020058435	1	36	-2.0	-96.54	337.45	4.37	-92.17
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C12	REAL300020058436	1	38	-2.0	-94.74	349.33	2.57	-92.17
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C12	REAL300020058436	1	38	-2.0	-94.68	349.40	2.56	-92.12
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058437	1	37	-2.0	-101.30	338.09	2.56	-98.74
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058437	1	37	-2.0	-101.25	338.14	2.56	-98.69
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020058438	0	30	-2.0	-89.41	298.96	1.37	-88.04
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020058438	1	30	-2.0	-89.38	299.02	1.35	-88.03
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058439	0	36	-2.0	-106.27	334.65	4.30	-101.97
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058439	1	36	-2.0	-106.29	334.71	4.29	-102.00
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020058440	0	33	-2.0	-97.20	309.10	1.40	-95.80
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020058440	1	33	-2.0	-97.12	309.16	1.39	-95.73
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058441	0	30	-2.0	-92.14	283.26	0.47	-91.67
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058441	1	30	-2.0	-92.18	283.32	0.45	-91.73
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1C1=CC=CC=C1	REAL300020058442	1	40	-2.0	-102.21	352.89	6.72	-95.49
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1C1=CC=CC=C1	REAL300020058442	1	40	-2.0	-102.16	352.93	6.71	-95.45
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058443	1	39	-2.0	-102.53	359.68	4.42	-98.11
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058443	1	39	-2.0	-102.56	359.74	4.42	-98.14
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020058444	0	36	-2.0	-103.36	344.63	1.07	-102.29
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020058444	1	36	-2.0	-103.36	344.69	1.07	-102.29
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058445	1	33	-2.0	-95.87	304.90	3.68	-92.19
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058445	1	33	-2.0	-95.86	304.96	3.68	-92.18
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058446	1	34	-2.0	-101.66	312.52	2.14	-99.52
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058446	1	34	-2.0	-101.61	312.58	2.13	-99.48
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300020058447	1	33	-2.0	-97.07	318.48	3.96	-93.11
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300020058449	1	33	-2.0	-90.07	327.34	3.90	-86.17
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(Cl)=C1F	REAL300020058450	0	30	-2.0	-101.28	304.70	3.41	-97.87
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(Cl)=C1F	REAL300020058450	1	30	-2.0	-101.28	304.76	3.40	-97.88
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1Br	REAL300020058451	0	30	-2.0	-92.50	305.90	3.61	-88.89
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C=C1Br	REAL300020058451	1	30	-2.0	-92.39	305.96	3.60	-88.79
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058452	0	36	-2.0	-94.03	339.49	3.29	-90.74
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058452	1	36	-2.0	-93.98	339.55	3.29	-90.69
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058453	0	33	-2.0	-104.30	309.93	3.57	-100.73
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058453	1	33	-2.0	-104.28	309.99	3.56	-100.72
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300020058454	1	34	-2.0	-96.13	318.73	2.22	-93.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300020058455	1	33	-2.0	-96.94	309.74	3.55	-93.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300020058455	1	33	-2.0	-96.93	309.80	3.54	-93.39
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1Cl	REAL300020058456	0	33	-2.0	-101.38	325.36	4.73	-96.65
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1Cl	REAL300020058456	1	33	-2.0	-101.32	325.43	4.73	-96.59
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300020058457	1	39	-2.0	-100.73	357.22	5.54	-95.19
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300020058457	1	39	-2.0	-100.70	357.28	5.53	-95.17
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1C(N)=O	REAL300020058458	1	37	-2.0	-94.78	333.60	0.29	-94.49
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C2=CC=CN=C12	REAL300020058460	1	39	-2.0	-101.84	348.33	2.62	-99.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C2=CC=CN=C12	REAL300020058460	1	39	-2.0	-101.89	348.39	2.63	-99.26
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058461	0	35	-2.0	-88.23	326.73	4.29	-83.94
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058461	1	35	-2.0	-88.15	326.79	4.28	-83.87
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300020058462	0	37	-2.0	-111.63	344.87	1.79	-109.84
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300020058462	1	37	-2.0	-111.62	344.93	1.77	-109.85
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058463	1	35	-2.0	-95.83	321.29	4.12	-91.71
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058463	1	35	-2.0	-95.79	321.35	4.10	-91.69
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1Cl	REAL300020058464	0	30	-2.0	-106.20	300.49	2.41	-103.79
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1Cl	REAL300020058464	1	30	-2.0	-106.18	300.55	2.40	-103.78
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058465	1	43	-2.0	-107.13	386.72	2.63	-104.50
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058466	0	38	-2.0	-93.94	341.47	5.23	-88.71
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058466	1	38	-2.0	-93.93	341.54	5.22	-88.71
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058469	1	33	-2.0	-95.73	315.23	4.14	-91.59
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058469	1	33	-2.0	-95.75	315.29	4.13	-91.62
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058482	1	41	-2.0	-108.82	373.77	2.51	-106.31
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058482	1	41	-2.0	-108.73	373.83	2.50	-106.23
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058483	1	40	-2.0	-108.46	355.15	2.70	-105.76
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058483	1	40	-2.0	-108.40	355.21	2.69	-105.71
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(Br)=C1	REAL300020058484	0	33	-2.0	-99.77	320.92	4.20	-95.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(Br)=C1	REAL300020058484	1	33	-2.0	-99.78	320.98	4.19	-95.59
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058485	0	36	-2.0	-106.34	344.97	4.75	-101.59
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058485	1	36	-2.0	-106.33	345.03	4.75	-101.58
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300020058486	1	31	-2.0	-89.61	319.23	3.65	-85.96
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300020058486	1	31	-2.0	-89.60	319.29	3.64	-85.96
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058487	0	36	-2.0	-101.33	350.88	4.06	-97.27
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058487	1	36	-2.0	-101.25	350.94	4.05	-97.20
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058488	1	39	-2.0	-104.11	359.22	1.14	-102.97
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058488	1	39	-2.0	-104.10	359.28	1.13	-102.97
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020058489	1	31	-2.0	-90.22	319.25	3.65	-86.57
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020058489	1	31	-2.0	-90.19	319.31	3.64	-86.55
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058490	1	41	-2.0	-109.36	371.07	2.82	-106.54
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058490	1	41	-2.0	-109.29	371.13	2.81	-106.48
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058491	0	38	-2.0	-100.27	359.63	-0.99	-101.26
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058491	1	38	-2.0	-100.20	359.69	-0.99	-101.19
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058493	1	39	-2.0	-101.76	353.24	4.27	-97.49
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058493	1	39	-2.0	-101.76	353.30	4.26	-97.50
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1OC	REAL300020058494	0	38	-2.0	-100.24	347.23	2.11	-98.13
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1OC	REAL300020058494	1	38	-2.0	-100.22	347.29	2.10	-98.12
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058496	0	38	-2.0	-115.55	344.29	4.12	-111.43
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058496	1	38	-2.0	-115.56	344.35	4.12	-111.44
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)N=C2C=CC=CN21	REAL300020058497	0	33	-2.0	-103.44	322.52	3.75	-99.69
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)N=C2C=CC=CN21	REAL300020058497	1	33	-2.0	-103.38	322.58	3.74	-99.64
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1C(N)=O	REAL300020058498	0	35	-2.0	-97.76	324.97	-1.00	-98.76
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1C(N)=O	REAL300020058498	1	35	-2.0	-97.78	325.03	-1.01	-98.79
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020058500	0	30	-2.0	-96.84	287.57	0.54	-96.30
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020058500	1	30	-2.0	-96.87	287.63	0.54	-96.33
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CN1C	REAL300020058501	0	38	-2.0	-98.31	346.90	0.49	-97.82
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CN1C	REAL300020058501	1	38	-2.0	-98.30	346.96	0.48	-97.82
O=C1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C2N1	REAL300020058503	1	41	-2.0	-98.45	358.50	2.97	-95.48
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300020058505	1	41	-2.0	-101.33	367.23	6.96	-94.37
O=C1OCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C21	REAL300020058508	1	34	-2.0	-104.23	321.38	3.21	-101.02
O=C1OCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C21	REAL300020058508	1	34	-2.0	-104.22	321.44	3.20	-101.02
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058509	0	35	-2.0	-110.59	321.39	5.18	-105.41
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058509	1	35	-2.0	-110.51	321.45	5.17	-105.34
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058510	0	34	-2.0	-92.40	320.78	3.22	-89.18
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058510	1	34	-2.0	-92.39	320.84	3.21	-89.18
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=C(F)C=C2N1	REAL300020058511	0	38	-2.0	-100.90	348.33	2.09	-98.81
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=C(F)C=C2N1	REAL300020058511	1	38	-2.0	-100.90	348.39	2.07	-98.83
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)S1	REAL300020058512	0	27	-2.0	-92.24	292.00	2.46	-89.78
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)S1	REAL300020058512	1	27	-2.0	-92.20	292.06	2.45	-89.75
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058514	0	34	-2.0	-106.15	311.26	2.64	-103.51
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058514	1	34	-2.0	-106.15	311.33	2.63	-103.52
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058515	0	41	-2.0	-107.26	367.63	1.51	-105.75
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058515	1	41	-2.0	-107.25	367.69	1.51	-105.74
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(Cl)=CC(Cl)=C1	REAL300020058516	1	30	-2.0	-91.42	316.48	3.87	-87.55
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(Cl)=CC(Cl)=C1	REAL300020058516	1	30	-2.0	-91.40	316.54	3.86	-87.54
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1Cl	REAL300020058517	0	30	-2.0	-100.75	296.15	3.40	-97.35
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1Cl	REAL300020058517	1	30	-2.0	-100.73	296.21	3.39	-97.34
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(Br)=C1	REAL300020058518	1	30	-2.0	-96.28	304.31	3.47	-92.81
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(Br)=C1	REAL300020058518	1	30	-2.0	-96.26	304.37	3.46	-92.80
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(F)C=CC=C1F	REAL300020058519	0	30	-2.0	-106.81	291.53	3.11	-103.70
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(F)C=CC=C1F	REAL300020058519	1	30	-2.0	-106.77	291.59	3.10	-103.67
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)N=C1	REAL300020058520	0	29	-2.0	-90.53	294.88	1.47	-89.06
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)N=C1	REAL300020058520	1	29	-2.0	-90.53	294.94	1.46	-89.07
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058521	1	31	-2.0	-96.41	303.85	3.23	-93.18
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058521	1	31	-2.0	-96.37	303.91	3.23	-93.14
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058522	1	31	-2.0	-92.44	303.84	3.23	-89.21
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058522	1	31	-2.0	-92.38	303.90	3.23	-89.15
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1F	REAL300020058523	0	30	-2.0	-96.64	305.25	3.42	-93.22
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1F	REAL300020058523	1	30	-2.0	-96.61	305.31	3.42	-93.19
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1Br	REAL300020058524	1	33	-2.0	-94.44	322.51	4.03	-90.41
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1Br	REAL300020058524	1	33	-2.0	-94.39	322.57	4.02	-90.37
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1Br	REAL300020058525	0	30	-2.0	-99.95	299.51	3.53	-96.42
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1Br	REAL300020058525	1	30	-2.0	-99.89	299.57	3.52	-96.37
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C([N+](=O)[O-])=C1	REAL300020058529	0	34	-2.0	-96.45	332.33	4.92	-91.53
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C([N+](=O)[O-])=C1	REAL300020058529	1	34	-2.0	-96.45	332.39	4.91	-91.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020058531	1	35	-2.0	-97.79	329.90	4.14	-93.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020058531	1	35	-2.0	-97.75	329.96	4.13	-93.62
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Br)S1	REAL300020058532	0	27	-2.0	-92.40	296.63	2.56	-89.84
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Br)S1	REAL300020058532	1	27	-2.0	-92.38	296.69	2.56	-89.82
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1Cl	REAL300020058533	0	36	-2.0	-95.94	342.06	5.35	-90.59
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1Cl	REAL300020058533	1	36	-2.0	-95.94	342.12	5.34	-90.60
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020058536	1	33	-2.0	-91.95	321.77	3.84	-88.11
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020058536	1	33	-2.0	-91.96	321.83	3.83	-88.13
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058539	0	38	-2.0	-107.36	340.76	1.92	-105.44
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058539	1	38	-2.0	-107.33	340.82	1.91	-105.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1OC	REAL300020058540	1	38	-2.0	-98.44	341.74	2.05	-96.39
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058542	0	32	-2.0	-90.61	296.20	1.81	-88.80
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058542	1	32	-2.0	-90.64	296.26	1.80	-88.84
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=CC=C1F	REAL300020058545	0	30	-2.0	-98.77	294.92	2.97	-95.80
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=CC=C1F	REAL300020058545	1	30	-2.0	-98.73	294.98	2.97	-95.76
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)SC(Cl)=C1	REAL300020058546	0	27	-2.0	-91.11	305.86	3.00	-88.11
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)SC(Cl)=C1	REAL300020058546	1	27	-2.0	-91.09	305.92	2.99	-88.10
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058548	1	33	-2.0	-95.67	319.80	4.24	-91.43
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058548	1	33	-2.0	-95.64	319.86	4.23	-91.41
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C2N1	REAL300020058549	1	38	-2.0	-97.35	342.83	2.03	-95.32
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058551	0	35	-2.0	-100.80	337.28	-2.21	-103.01
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058551	1	35	-2.0	-100.74	337.34	-2.22	-102.96
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300020058553	1	44	-2.0	-111.01	375.68	4.43	-106.58
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1C	REAL300020058554	0	38	-2.0	-95.16	343.74	4.82	-90.34
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1C	REAL300020058554	1	38	-2.0	-95.15	343.80	4.82	-90.33
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058555	1	36	-2.0	-95.00	337.80	3.51	-91.49
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058555	1	36	-2.0	-94.93	337.87	3.50	-91.43
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300020058556	1	41	-2.0	-107.98	362.28	3.89	-104.09
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058557	1	37	-2.0	-99.11	339.47	1.12	-97.99
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058557	1	37	-2.0	-99.09	339.53	1.11	-97.98
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C2CC1C	REAL300020058558	1	44	-2.0	-98.14	377.67	4.40	-93.74
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020058559	0	33	-2.0	-93.12	330.90	2.61	-90.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020058559	1	33	-2.0	-93.11	330.96	2.60	-90.51
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058561	0	36	-2.0	-112.21	335.88	1.43	-110.78
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058561	1	36	-2.0	-112.19	335.93	1.42	-110.77
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=C2N=C1	REAL300020058563	0	38	-2.0	-115.35	344.34	4.11	-111.24
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=C2N=C1	REAL300020058563	1	38	-2.0	-115.30	344.40	4.11	-111.19
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C([N+](=O)[O-])=C1	REAL300020058564	0	36	-2.0	-106.99	333.58	3.55	-103.44
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C([N+](=O)[O-])=C1	REAL300020058564	1	36	-2.0	-106.97	333.64	3.54	-103.43
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058565	0	34	-2.0	-99.44	328.01	3.14	-96.30
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058565	1	34	-2.0	-99.42	328.07	3.13	-96.29
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1OC(F)(F)F	REAL300020058566	0	34	-2.0	-102.04	327.75	3.12	-98.92
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1OC(F)(F)F	REAL300020058566	1	34	-2.0	-102.05	327.82	3.11	-98.94
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058567	1	35	-2.0	-101.87	337.21	-2.21	-104.08
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058567	1	35	-2.0	-101.82	337.27	-2.21	-104.03
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058568	1	36	-2.0	-102.92	337.81	3.50	-99.42
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058568	1	36	-2.0	-102.92	337.87	3.49	-99.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020058570	0	33	-2.0	-100.51	317.56	4.06	-96.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020058570	1	33	-2.0	-100.50	317.63	4.05	-96.45
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058571	0	36	-2.0	-104.94	343.74	0.36	-104.58
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058571	1	36	-2.0	-104.99	343.80	0.35	-104.64
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C2C1=O	REAL300020058572	0	37	-2.0	-93.90	348.65	2.10	-91.80
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C2C1=O	REAL300020058572	1	37	-2.0	-93.90	348.70	2.09	-91.81
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300020058574	1	36	-2.0	-96.65	337.14	2.80	-93.85
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL300020058574	1	36	-2.0	-96.61	337.20	2.79	-93.82
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C3=CC=CC1=C23	REAL300020058575	1	38	-2.0	-98.75	346.56	2.69	-96.06
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C3=CC=CC1=C23	REAL300020058575	1	38	-2.0	-98.68	346.62	2.68	-96.00
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1C	REAL300020058576	0	38	-2.0	-111.48	339.99	5.42	-106.06
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1C	REAL300020058576	1	38	-2.0	-111.52	340.05	5.41	-106.11
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020058577	1	34	-2.0	-94.29	329.01	2.64	-91.65
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020058577	1	34	-2.0	-94.28	329.07	2.63	-91.65
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1Cl	REAL300020058578	0	30	-2.0	-93.13	302.55	3.47	-89.66
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C=C1Cl	REAL300020058578	1	30	-2.0	-93.10	302.61	3.47	-89.63
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058579	1	36	-2.0	-104.53	343.73	0.36	-104.17
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058579	1	36	-2.0	-104.56	343.79	0.35	-104.21
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C(F)C=C1F	REAL300020058580	0	36	-2.0	-93.12	347.82	3.58	-89.54
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C(F)C=C1F	REAL300020058580	1	36	-2.0	-93.16	347.88	3.58	-89.58
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CN=C1	REAL300020058581	0	29	-2.0	-96.29	278.02	1.06	-95.23
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CN=C1	REAL300020058581	1	29	-2.0	-96.27	278.08	1.05	-95.22
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C2NC1=O	REAL300020058582	1	36	-2.0	-95.63	339.57	-0.16	-95.79
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C2NC1=O	REAL300020058582	1	36	-2.0	-95.57	339.63	-0.17	-95.74
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)N=C2SC=CN21	REAL300020058583	0	30	-2.0	-99.23	315.15	2.93	-96.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300020058584	0	33	-2.0	-103.80	309.93	3.57	-100.23
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300020058584	1	33	-2.0	-103.79	309.99	3.56	-100.23
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1C(F)(F)F	REAL300020058585	0	33	-2.0	-94.77	315.29	4.29	-90.48
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C=C1C(F)(F)F	REAL300020058585	1	33	-2.0	-94.72	315.35	4.28	-90.44
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300020058587	0	33	-2.0	-93.96	322.56	1.63	-92.33
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300020058587	1	33	-2.0	-93.93	322.62	1.62	-92.31
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC(C2=CC=CC=C2)=N1	REAL300020058588	0	36	-2.0	-104.28	349.45	3.52	-100.76
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC(C2=CC=CC=C2)=N1	REAL300020058588	1	36	-2.0	-104.30	349.50	3.51	-100.79
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2COCC2=C1	REAL300020058589	1	35	-2.0	-98.39	318.99	2.13	-96.26
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2COCC2=C1	REAL300020058589	1	35	-2.0	-98.33	319.05	2.12	-96.21
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058590	1	42	-2.0	-94.19	381.16	5.22	-88.97
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058590	1	42	-2.0	-94.11	381.23	5.22	-88.89
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1F	REAL300020058591	1	39	-2.0	-92.79	364.21	4.45	-88.34
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1F	REAL300020058591	1	39	-2.0	-92.77	364.27	4.44	-88.33
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=CC=C1Cl	REAL300020058592	0	30	-2.0	-95.85	302.55	3.47	-92.38
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=CC=C1Cl	REAL300020058592	1	30	-2.0	-95.83	302.61	3.47	-92.36
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1C	REAL300020058593	1	39	-2.0	-101.88	347.88	4.14	-97.74
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1C	REAL300020058593	1	39	-2.0	-101.84	347.94	4.13	-97.71
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058594	0	34	-2.0	-101.17	325.62	2.71	-98.46
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058594	1	34	-2.0	-101.12	325.68	2.70	-98.42
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CN=C1Cl	REAL300020058595	0	32	-2.0	-91.52	313.67	2.06	-89.46
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CN=C1Cl	REAL300020058595	1	32	-2.0	-91.53	313.73	2.05	-89.48
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058596	0	36	-2.0	-109.29	341.18	0.42	-108.87
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058596	1	36	-2.0	-109.25	341.24	0.42	-108.83
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058598	1	39	-2.0	-104.23	359.97	4.29	-99.94
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C21	REAL300020058600	1	41	-2.0	-120.80	363.53	3.96	-116.84
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C21	REAL300020058600	1	41	-2.0	-120.73	363.59	3.95	-116.78
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058601	0	42	-2.0	-99.07	362.22	3.45	-95.62
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058601	1	42	-2.0	-99.06	362.28	3.44	-95.62
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)SC=C1	REAL300020058602	0	30	-2.0	-100.48	293.75	2.47	-98.01
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)SC=C1	REAL300020058602	1	30	-2.0	-100.42	293.82	2.46	-97.96
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058603	1	36	-2.0	-96.62	354.53	4.01	-92.61
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058603	1	36	-2.0	-96.62	354.59	4.00	-92.62
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1C	REAL300020058604	0	39	-2.0	-98.51	342.45	2.78	-95.73
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1C	REAL300020058604	1	39	-2.0	-98.45	342.51	2.78	-95.67
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1C	REAL300020058605	1	39	-2.0	-95.20	353.82	4.03	-91.17
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1C	REAL300020058605	1	39	-2.0	-95.20	353.88	4.03	-91.17
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300020058606	0	35	-2.0	-89.28	327.23	4.03	-85.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1[N+](=O)[O-]	REAL300020058606	1	35	-2.0	-89.29	327.29	4.02	-85.27
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=N2)C=C1	REAL300020058607	0	40	-2.0	-98.06	364.99	4.64	-93.42
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=N2)C=C1	REAL300020058607	1	40	-2.0	-98.07	365.05	4.63	-93.44
O=C1NCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C21	REAL300020058608	1	38	-2.0	-110.92	342.60	1.30	-109.62
O=C1NCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C21	REAL300020058608	1	38	-2.0	-110.92	342.66	1.29	-109.63
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058609	1	39	-2.0	-112.28	368.04	1.05	-111.23
N#CC1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058610	0	31	-2.0	-104.42	316.52	3.52	-100.90
N#CC1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058610	1	31	-2.0	-104.43	316.58	3.51	-100.92
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058611	1	34	-2.0	-95.42	319.28	4.01	-91.41
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058611	1	34	-2.0	-95.40	319.34	4.00	-91.40
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058613	0	39	-2.0	-106.40	347.56	3.80	-102.60
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058613	1	39	-2.0	-106.37	347.62	3.81	-102.56
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1F	REAL300020058614	1	37	-2.0	-105.43	344.21	1.85	-103.58
CC(C)(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058615	1	42	-2.0	-97.48	335.17	5.53	-91.95
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1C	REAL300020058617	1	40	-2.0	-117.68	356.62	2.59	-115.09
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C21	REAL300020058618	1	44	-2.0	-121.90	375.50	4.46	-117.44
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C21	REAL300020058618	1	44	-2.0	-121.90	375.56	4.45	-117.45
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058619	0	34	-2.0	-101.14	320.66	3.30	-97.84
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058619	1	34	-2.0	-101.10	320.72	3.30	-97.80
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=C(Cl)C(Cl)=C1	REAL300020058621	0	29	-2.0	-86.70	310.10	1.92	-84.78
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=C(Cl)C(Cl)=C1	REAL300020058621	1	29	-2.0	-86.69	310.16	1.91	-84.78
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058622	1	34	-2.0	-91.95	319.27	4.01	-87.94
O=C1OCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058624	1	39	-2.0	-106.21	351.69	2.91	-103.30
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300020058627	0	31	-2.0	-95.58	309.32	3.30	-92.28
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300020058627	1	31	-2.0	-95.54	309.38	3.29	-92.25
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020058628	0	36	-2.0	-97.14	327.79	1.91	-95.23
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020058628	1	36	-2.0	-97.13	327.85	1.91	-95.22
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020058629	0	36	-2.0	-102.02	342.37	1.60	-100.42
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020058629	1	36	-2.0	-101.95	342.43	1.59	-100.36
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CN=C1Cl	REAL300020058630	0	29	-2.0	-98.55	291.31	1.55	-97.00
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CN=C1Cl	REAL300020058630	1	29	-2.0	-98.56	291.37	1.55	-97.01
O=[N+]([O-])C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058631	0	32	-2.0	-102.09	320.84	4.77	-97.32
O=[N+]([O-])C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058631	1	32	-2.0	-102.06	320.90	4.76	-97.30
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=CC=CN=C21	REAL300020058632	0	35	-2.0	-115.34	322.94	3.47	-111.87
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=CC=CN=C21	REAL300020058632	1	35	-2.0	-115.30	323.00	3.46	-111.84
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=C(F)C(F)=C1	REAL300020058633	1	30	-2.0	-85.47	302.01	3.03	-82.44
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=C(F)C(F)=C1	REAL300020058633	1	30	-2.0	-85.44	302.07	3.02	-82.42
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058634	1	41	-2.0	-97.21	365.47	4.67	-92.54
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058634	1	41	-2.0	-97.18	365.53	4.66	-92.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CN1C	REAL300020058635	0	37	-2.0	-102.44	344.19	2.94	-99.50
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CN1C	REAL300020058635	1	37	-2.0	-102.41	344.25	2.93	-99.48
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058637	1	38	-2.0	-92.37	349.50	2.25	-90.12
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058637	1	38	-2.0	-92.32	349.56	2.24	-90.08
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(C2=CC=CC=C2F)N=C1	REAL300020058638	0	37	-2.0	-101.58	347.98	4.11	-97.47
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(C2=CC=CC=C2F)N=C1	REAL300020058638	1	37	-2.0	-101.59	348.04	4.10	-97.49
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Br)C(F)=C1	REAL300020058639	1	30	-2.0	-90.81	310.02	3.51	-87.30
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Br)C(F)=C1	REAL300020058639	1	30	-2.0	-90.76	310.09	3.50	-87.26
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C(Br)=C1	REAL300020058642	1	30	-2.0	-90.62	310.02	3.51	-87.11
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020058643	0	41	-2.0	-103.09	370.76	3.60	-99.49
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020058643	1	41	-2.0	-103.09	370.82	3.59	-99.50
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CN1	REAL300020058644	0	34	-2.0	-99.94	326.42	1.18	-98.76
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CN1	REAL300020058644	1	34	-2.0	-99.92	326.48	1.17	-98.75
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058645	1	33	-2.0	-95.99	303.83	3.65	-92.34
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058645	1	33	-2.0	-95.98	303.88	3.64	-92.34
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1C	REAL300020058646	1	39	-2.0	-97.06	353.83	4.02	-93.04
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1C	REAL300020058646	1	39	-2.0	-97.13	353.89	4.02	-93.11
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CS1	REAL300020058648	0	33	-2.0	-98.59	330.29	2.52	-96.07
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CS1	REAL300020058648	1	33	-2.0	-98.59	330.35	2.51	-96.08
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020058649	1	40	-2.0	-100.17	357.22	6.26	-93.91
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020058649	1	40	-2.0	-100.17	357.28	6.25	-93.92
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300020058650	1	37	-2.0	-100.81	353.19	2.36	-98.45
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300020058650	1	37	-2.0	-100.79	353.25	2.35	-98.44
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300020058651	0	36	-2.0	-94.12	344.42	2.56	-91.56
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300020058651	1	36	-2.0	-94.10	344.49	2.55	-91.55
O=[N+]([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058652	0	32	-2.0	-89.26	317.64	3.58	-85.68
O=[N+]([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058652	1	32	-2.0	-89.26	317.70	3.57	-85.69
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1F	REAL300020058654	1	36	-2.0	-92.63	342.35	3.52	-89.11
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1F	REAL300020058654	1	36	-2.0	-92.53	342.41	3.51	-89.02
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058655	0	40	-2.0	-107.89	365.96	3.30	-104.59
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058655	1	40	-2.0	-107.86	366.02	3.29	-104.57
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058656	1	42	-2.0	-102.15	370.20	4.80	-97.35
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058656	1	42	-2.0	-102.06	370.27	4.79	-97.27
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=CC(Br)=C1	REAL300020058657	0	29	-2.0	-90.95	299.34	1.64	-89.31
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=CC(Br)=C1	REAL300020058657	1	29	-2.0	-90.92	299.40	1.63	-89.29
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058658	1	36	-2.0	-95.12	337.57	4.63	-90.49
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058658	1	36	-2.0	-95.10	337.63	4.62	-90.48
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058659	1	33	-2.0	-96.63	310.83	3.58	-93.05
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058659	1	33	-2.0	-96.64	310.89	3.57	-93.07
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058661	0	38	-2.0	-88.48	341.37	5.18	-83.30
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058661	1	38	-2.0	-88.48	341.43	5.17	-83.31
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=C2C=CSC2=C1	REAL300020058662	0	32	-2.0	-97.40	315.02	2.32	-95.08
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=C2C=CSC2=C1	REAL300020058662	1	32	-2.0	-97.38	315.08	2.31	-95.07
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020058664	0	35	-2.0	-95.45	340.37	4.59	-90.86
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020058664	1	35	-2.0	-95.42	340.43	4.58	-90.84
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058665	1	34	-2.0	-104.09	325.28	4.01	-100.08
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058666	1	44	-2.0	-96.61	375.83	4.90	-91.71
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058666	1	44	-2.0	-96.60	375.89	4.89	-91.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C(F)C=C1F	REAL300020058668	0	33	-2.0	-96.11	315.23	3.60	-92.51
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C(F)C=C1F	REAL300020058668	1	33	-2.0	-96.08	315.29	3.60	-92.48
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)C=CC2=CC=CC=C21	REAL300020058669	0	36	-2.0	-107.22	334.79	5.90	-101.32
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)C=CC2=CC=CC=C21	REAL300020058669	1	36	-2.0	-107.18	334.86	5.89	-101.29
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=CC=CC=C21	REAL300020058670	1	36	-2.0	-107.59	324.07	5.15	-102.44
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=CC=CC=C21	REAL300020058670	1	36	-2.0	-107.60	324.13	5.15	-102.45
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1C(F)(F)F	REAL300020058671	1	34	-2.0	-89.26	339.66	4.02	-85.24
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1C(F)(F)F	REAL300020058671	1	34	-2.0	-89.23	339.72	4.02	-85.21
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020058672	0	32	-2.0	-96.65	308.25	1.41	-95.24
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020058672	1	32	-2.0	-96.65	308.31	1.40	-95.25
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058673	1	36	-2.0	-100.78	325.91	4.27	-96.51
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058673	1	36	-2.0	-100.76	325.97	4.27	-96.49
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC(Cl)=CC=C2S1	REAL300020058674	0	33	-2.0	-96.51	338.66	4.77	-91.74
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC(Cl)=CC=C2S1	REAL300020058674	1	33	-2.0	-96.50	338.72	4.76	-91.74
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020058675	0	37	-2.0	-99.42	360.87	1.92	-97.50
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020058675	1	37	-2.0	-99.43	360.93	1.91	-97.52
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058676	0	36	-2.0	-95.07	340.91	2.29	-92.78
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058676	1	36	-2.0	-95.02	340.97	2.28	-92.74
O=C1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C2N1	REAL300020058677	1	36	-2.0	-95.96	334.40	1.90	-94.06
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC2=CC=C(Cl)C=C12	REAL300020058678	0	33	-2.0	-101.01	336.36	4.71	-96.30
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC2=CC=C(Cl)C=C12	REAL300020058678	1	33	-2.0	-100.98	336.43	4.70	-96.28
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058679	1	33	-2.0	-95.69	316.61	4.12	-91.57
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)SC=C1	REAL300020058680	0	31	-2.0	-106.70	305.19	1.12	-105.58
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)SC=C1	REAL300020058680	1	31	-2.0	-106.65	305.25	1.11	-105.54
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058681	1	39	-2.0	-103.70	365.19	1.25	-102.45
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058681	1	39	-2.0	-103.61	365.25	1.24	-102.37
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)OC2=CC=C(F)C=C21	REAL300020058682	0	36	-2.0	-97.78	336.77	4.13	-93.65
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)OC2=CC=C(F)C=C21	REAL300020058682	1	36	-2.0	-97.72	336.83	4.12	-93.60
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2O1	REAL300020058683	0	33	-2.0	-101.83	312.78	3.23	-98.60
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2O1	REAL300020058683	1	33	-2.0	-101.83	312.84	3.23	-98.60
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C(C)N1	REAL300020058684	0	43	-2.0	-99.17	379.00	3.53	-95.64
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C(C)N1	REAL300020058684	1	43	-2.0	-99.15	379.06	3.51	-95.64
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300020058685	0	33	-2.0	-98.70	315.21	3.61	-95.09
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300020058685	1	33	-2.0	-98.69	315.27	3.61	-95.08
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058686	0	32	-2.0	-104.27	316.26	1.59	-102.68
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058686	1	32	-2.0	-104.23	316.32	1.57	-102.66
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058687	0	35	-2.0	-107.74	336.57	3.80	-103.94
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058687	1	35	-2.0	-107.72	336.63	3.79	-103.93
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=CC=C(Cl)C=C21	REAL300020058688	1	36	-2.0	-108.72	340.76	5.66	-103.06
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=CC=C(Cl)C=C21	REAL300020058688	1	36	-2.0	-108.72	340.82	5.65	-103.07
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300020058689	0	36	-2.0	-97.50	348.11	0.39	-97.11
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300020058689	1	36	-2.0	-97.53	348.17	0.38	-97.15
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300020058690	0	36	-2.0	-89.36	338.54	3.59	-85.77
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1[N+](=O)[O-]	REAL300020058690	1	36	-2.0	-89.40	338.60	3.58	-85.82
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(F)C=CC=C1Br	REAL300020058691	0	30	-2.0	-103.08	302.66	3.78	-99.30
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(F)C=CC=C1Br	REAL300020058691	1	30	-2.0	-103.10	302.72	3.77	-99.33
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)N=C1Cl	REAL300020058692	0	30	-2.0	-102.42	303.20	1.67	-100.75
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)N=C1Cl	REAL300020058692	1	30	-2.0	-102.41	303.26	1.66	-100.75
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=NON=C21	REAL300020058693	0	31	-2.0	-104.82	298.85	1.58	-103.24
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=NON=C21	REAL300020058693	1	31	-2.0	-104.78	298.92	1.57	-103.21
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1C	REAL300020058694	0	38	-2.0	-112.93	334.10	5.64	-107.29
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1C	REAL300020058694	1	38	-2.0	-112.89	334.16	5.63	-107.26
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058695	1	38	-2.0	-102.63	342.00	1.45	-101.18
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058695	1	38	-2.0	-102.59	342.06	1.44	-101.15
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058696	0	36	-2.0	-107.70	341.92	3.94	-103.76
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058696	1	36	-2.0	-107.63	341.98	3.93	-103.70
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=NN1C1=CC=CC=N1	REAL300020058698	0	39	-2.0	-101.84	355.22	4.22	-97.62
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=NN1C1=CC=CC=N1	REAL300020058698	1	39	-2.0	-101.85	355.28	4.21	-97.64
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020058699	1	36	-2.0	-92.58	350.33	3.88	-88.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020058699	1	36	-2.0	-92.60	350.39	3.88	-88.72
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C21	REAL300020058700	1	41	-2.0	-95.45	366.32	2.35	-93.10
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C2=CC=CC=C21	REAL300020058701	1	36	-2.0	-99.38	338.43	5.58	-93.80
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C2=CC=CC=C21	REAL300020058701	1	36	-2.0	-99.37	338.49	5.57	-93.80
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)SC2=CC=CC(F)=C21	REAL300020058702	0	36	-2.0	-102.90	342.99	4.87	-98.03
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)SC2=CC=CC(F)=C21	REAL300020058702	1	36	-2.0	-102.84	343.05	4.86	-97.98
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC(F)=CC=C2S1	REAL300020058703	0	33	-2.0	-96.51	328.35	4.33	-92.18
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC(F)=CC=C2S1	REAL300020058703	1	33	-2.0	-96.50	328.41	4.32	-92.18
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=NC2=C1Cl	REAL300020058705	0	35	-2.0	-90.06	344.00	2.80	-87.26
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=NC2=C1Cl	REAL300020058705	1	35	-2.0	-90.04	344.06	2.80	-87.24
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058706	0	36	-2.0	-106.44	328.46	3.22	-103.22
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058706	1	36	-2.0	-106.40	328.52	3.22	-103.18
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=CC(Cl)=C1	REAL300020058707	0	30	-2.0	-91.10	306.17	3.42	-87.68
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=CC(Cl)=C1	REAL300020058707	1	30	-2.0	-91.09	306.23	3.41	-87.68
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)N(C)C1=O	REAL300020058709	0	36	-2.0	-103.87	329.60	1.85	-102.02
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)N(C)C1=O	REAL300020058709	1	36	-2.0	-103.86	329.66	1.84	-102.02
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020058710	0	35	-2.0	-91.54	333.76	1.67	-89.87
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020058710	1	35	-2.0	-91.57	333.82	1.66	-89.91
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058711	0	33	-2.0	-98.06	322.90	1.59	-96.47
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058711	1	33	-2.0	-98.05	322.96	1.58	-96.47
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058712	1	38	-2.0	-109.32	346.10	4.11	-105.21
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058712	1	38	-2.0	-109.34	346.16	4.10	-105.24
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1Br	REAL300020058713	0	33	-2.0	-100.95	317.72	4.11	-96.84
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1Br	REAL300020058713	1	33	-2.0	-100.94	317.78	4.10	-96.84
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020058714	0	37	-2.0	-95.46	342.77	0.45	-95.01
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020058714	1	37	-2.0	-95.43	342.83	0.44	-94.99
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C([N+](=O)[O-])=N1	REAL300020058715	0	35	-2.0	-105.45	333.33	3.67	-101.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C([N+](=O)[O-])=N1	REAL300020058715	1	35	-2.0	-105.43	333.40	3.66	-101.77
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=CC=C1Br	REAL300020058716	0	30	-2.0	-95.04	305.90	3.61	-91.43
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=CC=C1Br	REAL300020058716	1	30	-2.0	-95.03	305.97	3.60	-91.43
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(C2CCOCC2)N=C1	REAL300020058718	0	41	-2.0	-96.97	360.18	1.38	-95.59
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(C2CCOCC2)N=C1	REAL300020058718	1	41	-2.0	-96.93	360.24	1.37	-95.56
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020058719	0	39	-2.0	-99.35	356.01	4.49	-94.86
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020058719	1	39	-2.0	-99.30	356.07	4.48	-94.82
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058720	0	36	-2.0	-106.29	330.34	3.59	-102.70
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058720	1	36	-2.0	-106.27	330.40	3.59	-102.68
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(C2CCOC2)N=C1	REAL300020058721	0	38	-2.0	-95.54	341.08	0.59	-94.95
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(C2CCOC2)N=C1	REAL300020058721	1	38	-2.0	-95.52	341.14	0.58	-94.94
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1F	REAL300020058723	0	33	-2.0	-105.15	308.82	3.56	-101.59
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1F	REAL300020058723	1	33	-2.0	-105.12	308.88	3.55	-101.57
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020058724	0	36	-2.0	-93.29	332.07	0.46	-92.83
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020058724	1	36	-2.0	-93.25	332.13	0.46	-92.79
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN2CCCCC2=N1	REAL300020058725	0	37	-2.0	-109.32	328.80	2.87	-106.45
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN2CCCCC2=N1	REAL300020058725	1	37	-2.0	-109.29	328.86	2.86	-106.43
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1Cl	REAL300020058726	0	33	-2.0	-101.68	314.90	3.98	-97.70
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1Cl	REAL300020058726	1	33	-2.0	-101.67	314.96	3.97	-97.70
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058727	1	37	-2.0	-99.22	338.08	2.57	-96.65
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C(C)O1	REAL300020058731	0	33	-2.0	-97.24	306.00	2.42	-94.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C(C)O1	REAL300020058731	1	33	-2.0	-97.21	306.06	2.41	-94.80
O=C1COC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=C2N1	REAL300020058732	0	36	-2.0	-105.04	329.27	0.51	-104.53
O=C1COC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=C2N1	REAL300020058732	1	36	-2.0	-105.03	329.33	0.50	-104.53
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C2)CC1	REAL300020058733	1	43	-2.0	-99.45	381.35	5.47	-93.98
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058734	0	39	-2.0	-95.83	366.07	4.49	-91.34
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058734	1	39	-2.0	-95.80	366.13	4.48	-91.32
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058735	1	37	-2.0	-98.42	329.62	2.88	-95.54
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058735	1	37	-2.0	-98.41	329.68	2.87	-95.54
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C(C(=O)OC)O1	REAL300020058736	0	39	-2.0	-93.09	360.02	3.25	-89.84
CCC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C(C(=O)OC)O1	REAL300020058736	1	39	-2.0	-93.11	360.08	3.24	-89.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300020058739	0	30	-2.0	-99.10	287.62	1.66	-97.44
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300020058739	1	30	-2.0	-99.08	287.68	1.65	-97.43
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058740	0	33	-2.0	-99.91	316.67	3.26	-96.65
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058740	1	33	-2.0	-99.92	316.73	3.25	-96.67
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2OCOC2=C1	REAL300020058741	1	33	-2.0	-96.62	309.07	1.50	-95.12
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C2=NC=CC=C2C=C1	REAL300020058742	0	38	-2.0	-115.29	336.65	4.60	-110.69
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C2=NC=CC=C2C=C1	REAL300020058742	1	38	-2.0	-115.34	336.71	4.59	-110.75
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1CN1C=NC=N1	REAL300020058743	1	39	-2.0	-98.04	350.31	6.37	-91.67
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1CN1C=NC=N1	REAL300020058743	1	39	-2.0	-98.01	350.36	6.36	-91.65
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058744	0	33	-2.0	-100.28	320.92	4.21	-96.07
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058744	1	33	-2.0	-100.26	320.98	4.20	-96.06
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058745	0	33	-2.0	-101.06	317.56	4.07	-96.99
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058745	1	33	-2.0	-101.01	317.62	4.06	-96.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)N=C1C	REAL300020058747	0	36	-2.0	-108.43	328.57	2.65	-105.78
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)N=C1C	REAL300020058747	1	36	-2.0	-108.37	328.62	2.63	-105.74
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C(C)O1	REAL300020058748	0	36	-2.0	-93.45	340.86	2.40	-91.05
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C(C)O1	REAL300020058748	1	36	-2.0	-93.38	340.92	2.39	-90.99
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=CC(Cl)=C1	REAL300020058749	0	29	-2.0	-91.03	294.77	1.54	-89.49
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=CC(Cl)=C1	REAL300020058749	1	29	-2.0	-90.97	294.83	1.53	-89.44
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058750	0	42	-2.0	-99.86	359.16	3.42	-96.44
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058750	1	42	-2.0	-99.79	359.22	3.41	-96.38
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058752	1	38	-2.0	-94.93	345.05	4.90	-90.03
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058752	1	38	-2.0	-94.94	345.11	4.89	-90.05
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(F)C=CC=C1Cl	REAL300020058753	0	30	-2.0	-103.78	299.07	3.64	-100.14
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(F)C=CC=C1Cl	REAL300020058753	1	30	-2.0	-103.73	299.14	3.63	-100.10
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(Cl)=N1	REAL300020058754	0	32	-2.0	-99.00	312.91	2.15	-96.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(Cl)=N1	REAL300020058754	1	32	-2.0	-99.00	312.98	2.15	-96.85
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058755	0	35	-2.0	-97.93	332.06	3.03	-94.90
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058755	1	35	-2.0	-97.96	332.12	3.02	-94.94
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C2=NC=CC=C12	REAL300020058756	0	37	-2.0	-100.16	348.07	4.03	-96.13
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C2=NC=CC=C12	REAL300020058756	1	37	-2.0	-100.14	348.14	4.02	-96.12
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300020058757	1	34	-2.0	-96.05	338.22	4.32	-91.73
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300020058757	1	34	-2.0	-95.99	338.28	4.31	-91.68
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020058758	0	32	-2.0	-95.53	313.03	1.42	-94.11
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020058758	1	32	-2.0	-95.46	313.09	1.41	-94.05
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C12	REAL300020058760	0	37	-2.0	-90.19	344.26	0.56	-89.63
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C12	REAL300020058760	1	37	-2.0	-90.14	344.32	0.55	-89.59
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Br)O1	REAL300020058761	0	27	-2.0	-93.44	287.40	1.57	-91.87
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Br)O1	REAL300020058761	1	27	-2.0	-93.40	287.46	1.56	-91.84
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC3=C2N1CCC3	REAL300020058762	1	42	-2.0	-98.19	367.38	4.29	-93.90
COCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1C	REAL300020058763	0	40	-2.0	-99.10	353.58	0.44	-98.66
COCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1C	REAL300020058763	1	40	-2.0	-99.10	353.65	0.43	-98.67
O=S(=O)(F)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058764	0	33	-2.0	-97.85	329.61	-0.06	-97.91
O=S(=O)(F)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058764	1	33	-2.0	-97.81	329.67	-0.06	-97.87
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CN=C1Cl	REAL300020058765	0	33	-2.0	-89.81	323.87	0.80	-89.01
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CN=C1Cl	REAL300020058765	1	33	-2.0	-89.77	323.93	0.80	-88.97
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300020058766	1	39	-2.0	-96.49	358.94	3.80	-92.69
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL300020058766	1	39	-2.0	-96.47	359.00	3.80	-92.67
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058767	0	45	-2.0	-98.67	381.37	4.29	-94.38
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058767	1	45	-2.0	-98.62	381.43	4.28	-94.34
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300020058768	0	32	-2.0	-89.44	318.52	2.15	-87.29
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)N=C1	REAL300020058768	1	32	-2.0	-89.45	318.58	2.15	-87.30
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)SC=N1	REAL300020058769	0	32	-2.0	-103.38	320.06	1.20	-102.18
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)SC=N1	REAL300020058769	1	32	-2.0	-103.32	320.12	1.19	-102.13
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058770	0	36	-2.0	-96.29	344.21	3.56	-92.73
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058770	1	36	-2.0	-96.29	344.27	3.56	-92.73
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020058771	0	31	-2.0	-92.76	316.91	3.80	-88.96
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020058771	1	31	-2.0	-92.74	316.97	3.79	-88.95
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020058773	1	38	-2.0	-96.48	342.73	4.79	-91.69
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020058773	1	38	-2.0	-96.47	342.79	4.78	-91.69
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058774	1	42	-2.0	-101.38	375.10	5.20	-96.18
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058774	1	42	-2.0	-101.39	375.16	5.19	-96.20
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C(F)=C1Cl	REAL300020058775	0	30	-2.0	-92.53	318.19	3.95	-88.58
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C(F)=C1Cl	REAL300020058775	1	30	-2.0	-92.51	318.25	3.95	-88.56
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058776	0	30	-2.0	-93.07	311.99	3.06	-90.01
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058776	1	30	-2.0	-93.04	312.06	3.05	-89.99
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(C(F)F)=C1	REAL300020058777	1	33	-2.0	-105.12	317.19	3.77	-101.35
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(C(F)F)=C1	REAL300020058777	1	33	-2.0	-105.06	317.25	3.77	-101.29
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)C=C1F	REAL300020058778	0	33	-2.0	-94.98	327.25	3.91	-91.07
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)C=C1F	REAL300020058778	1	33	-2.0	-94.92	327.31	3.90	-91.02
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058779	1	33	-2.0	-96.64	325.72	4.12	-92.52
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058779	1	33	-2.0	-96.60	325.78	4.12	-92.48
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058780	0	34	-2.0	-105.58	319.11	3.90	-101.68
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058780	1	34	-2.0	-105.57	319.17	3.89	-101.68
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300020058781	0	38	-2.0	-94.61	352.46	4.13	-90.48
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300020058781	1	38	-2.0	-94.60	352.52	4.12	-90.48
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(C)=CS1	REAL300020058782	0	36	-2.0	-108.79	338.24	4.01	-104.78
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(C)=CS1	REAL300020058782	1	36	-2.0	-108.80	338.30	4.00	-104.80
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058783	0	29	-2.0	-87.41	276.44	-0.70	-88.11
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058783	1	29	-2.0	-87.41	276.50	-0.70	-88.11
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1F	REAL300020058784	1	34	-2.0	-92.78	318.74	2.22	-90.56
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1F	REAL300020058784	1	34	-2.0	-92.76	318.80	2.21	-90.55
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058785	0	41	-2.0	-108.40	373.16	2.93	-105.47
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058785	1	41	-2.0	-108.36	373.22	2.92	-105.44
CC(C)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058786	1	39	-2.0	-101.62	337.03	4.84	-96.78
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(CC(F)(F)F)N=C1	REAL300020058788	0	33	-2.0	-97.81	326.98	1.90	-95.91
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(CC(F)(F)F)N=C1	REAL300020058788	1	33	-2.0	-97.81	327.04	1.89	-95.92
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058789	0	38	-2.0	-112.72	336.99	3.35	-109.37
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058789	1	38	-2.0	-112.72	337.06	3.34	-109.38
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CN=C21	REAL300020058792	1	35	-2.0	-94.77	327.38	1.97	-92.80
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=CN=C21	REAL300020058792	1	35	-2.0	-94.78	327.44	1.96	-92.82
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(OC)=C1	REAL300020058794	0	40	-2.0	-100.79	366.01	3.29	-97.50
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(OC)=C1	REAL300020058794	1	40	-2.0	-100.80	366.07	3.28	-97.52
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058796	1	38	-2.0	-100.48	350.22	1.06	-99.42
CN(C)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058797	1	38	-2.0	-102.54	334.52	3.24	-99.30
CN(C)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058797	1	38	-2.0	-102.47	334.58	3.23	-99.24
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C2O1	REAL300020058798	1	35	-2.0	-97.76	326.67	0.50	-97.26
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C2O1	REAL300020058798	1	35	-2.0	-97.75	326.73	0.49	-97.26
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=C2CCCN12	REAL300020058800	0	34	-2.0	-101.63	311.00	2.28	-99.35
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=C2CCCN12	REAL300020058800	1	34	-2.0	-101.59	311.07	2.27	-99.32
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(CC(F)F)N=C1	REAL300020058801	0	33	-2.0	-96.41	320.95	1.73	-94.68
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(CC(F)F)N=C1	REAL300020058801	1	33	-2.0	-96.39	321.00	1.72	-94.67
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CS1	REAL300020058802	0	29	-2.0	-90.60	304.19	2.60	-88.00
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CS1	REAL300020058802	1	29	-2.0	-90.59	304.25	2.60	-87.99
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CN1C	REAL300020058803	0	40	-2.0	-102.05	366.05	3.87	-98.18
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CN1C	REAL300020058803	1	40	-2.0	-102.03	366.11	3.86	-98.17
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Br)C=C1F	REAL300020058804	0	30	-2.0	-96.59	309.81	3.53	-93.06
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Br)C=C1F	REAL300020058804	1	30	-2.0	-96.57	309.88	3.52	-93.05
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058805	0	33	-2.0	-103.76	302.62	3.81	-99.95
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058805	1	33	-2.0	-103.78	302.68	3.80	-99.98
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058806	1	33	-2.0	-93.09	319.80	4.22	-88.87
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CNC2=CC=CC(F)=C12	REAL300020058807	0	34	-2.0	-112.86	321.40	2.91	-109.95
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CNC2=CC=CC(F)=C12	REAL300020058807	1	34	-2.0	-112.84	321.47	2.91	-109.93
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058808	0	43	-2.0	-98.36	374.12	4.34	-94.02
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058808	1	43	-2.0	-98.33	374.19	4.33	-94.00
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=CC=C12	REAL300020058809	0	38	-2.0	-115.37	340.89	4.02	-111.35
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=CC=C12	REAL300020058809	1	38	-2.0	-115.29	340.95	4.01	-111.28
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058812	0	36	-2.0	-97.61	333.41	4.11	-93.50
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058812	1	36	-2.0	-97.58	333.46	4.10	-93.48
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058814	1	37	-2.0	-101.75	334.37	3.07	-98.68
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058814	1	37	-2.0	-101.71	334.43	3.06	-98.65
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020058815	1	40	-2.0	-98.46	354.64	2.67	-95.79
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058815	1	40	-2.0	-98.42	354.70	2.67	-95.75
O=C1CCC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C12	REAL300020058817	0	36	-2.0	-106.73	344.22	4.39	-102.34
O=C1CCC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C12	REAL300020058817	1	36	-2.0	-106.69	344.29	4.38	-102.31
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1Cl	REAL300020058818	0	30	-2.0	-93.79	312.88	3.92	-89.87
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1Cl	REAL300020058818	1	30	-2.0	-93.76	312.94	3.91	-89.85
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020058820	0	33	-2.0	-103.20	327.96	0.34	-102.86
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020058820	1	33	-2.0	-103.23	328.02	0.32	-102.91
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058821	1	34	-2.0	-102.60	334.27	0.13	-102.47
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058821	1	34	-2.0	-102.62	334.33	0.13	-102.49
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058822	1	34	-2.0	-103.80	325.27	4.01	-99.79
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058822	1	34	-2.0	-103.78	325.32	4.00	-99.78
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058823	1	37	-2.0	-101.03	327.98	2.91	-98.12
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058823	1	37	-2.0	-101.02	328.04	2.91	-98.11
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058824	0	35	-2.0	-95.95	332.97	1.70	-94.25
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058824	1	35	-2.0	-96.01	333.03	1.68	-94.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020058826	0	33	-2.0	-93.29	310.20	-0.48	-93.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020058826	1	33	-2.0	-93.25	310.27	-0.47	-93.72
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1C#N	REAL300020058827	1	34	-2.0	-92.23	322.98	3.73	-88.50
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1C#N	REAL300020058827	1	34	-2.0	-92.18	323.05	3.72	-88.46
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058829	0	34	-2.0	-102.09	328.01	3.15	-98.94
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058829	1	34	-2.0	-102.09	328.07	3.15	-98.94
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CNC(C(F)(F)F)=C1	REAL300020058830	0	31	-2.0	-94.95	310.52	1.61	-93.34
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CNC(C(F)(F)F)=C1	REAL300020058830	1	31	-2.0	-94.93	310.58	1.60	-93.33
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)C=C(F)C=C1Cl	REAL300020058831	0	30	-2.0	-92.11	313.02	4.22	-87.89
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)C=C(F)C=C1Cl	REAL300020058831	1	30	-2.0	-92.03	313.08	4.22	-87.81
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=NSN=C21	REAL300020058832	0	31	-2.0	-106.30	307.79	1.14	-105.16
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=NSN=C21	REAL300020058832	1	31	-2.0	-106.28	307.85	1.13	-105.15
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058833	0	33	-2.0	-96.47	307.61	0.31	-96.16
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058833	1	33	-2.0	-96.47	307.67	0.30	-96.17
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(Br)=C1F	REAL300020058834	0	30	-2.0	-100.94	309.12	3.51	-97.43
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(Br)=C1F	REAL300020058834	1	30	-2.0	-100.95	309.18	3.51	-97.44
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1OC	REAL300020058835	0	40	-2.0	-95.93	365.09	3.55	-92.38
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1OC	REAL300020058835	1	40	-2.0	-95.93	365.15	3.55	-92.38
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058839	0	40	-2.0	-106.35	346.56	4.60	-101.75
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058839	1	40	-2.0	-106.35	346.62	4.59	-101.76
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020058843	0	35	-2.0	-102.70	339.79	-1.55	-104.25
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020058843	1	35	-2.0	-102.68	339.85	-1.56	-104.24
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300020058844	0	36	-2.0	-98.61	343.27	3.57	-95.04
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300020058844	1	36	-2.0	-98.55	343.33	3.56	-94.99
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300020058845	0	34	-2.0	-101.45	318.00	2.20	-99.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300020058845	1	34	-2.0	-101.43	318.06	2.20	-99.23
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1[N+](=O)[O-]	REAL300020058846	0	38	-2.0	-110.92	343.80	6.03	-104.89
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1[N+](=O)[O-]	REAL300020058846	1	38	-2.0	-110.88	343.86	6.02	-104.86
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(CC(F)(F)F)C=C1	REAL300020058847	1	36	-2.0	-99.16	344.03	4.62	-94.54
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058848	0	38	-2.0	-107.95	359.16	4.68	-103.27
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058848	1	38	-2.0	-107.94	359.22	4.68	-103.26
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300020058849	0	36	-2.0	-93.96	342.33	3.53	-90.43
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300020058849	1	36	-2.0	-93.93	342.39	3.52	-90.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020058850	0	32	-2.0	-97.02	299.62	1.67	-95.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020058850	1	32	-2.0	-97.00	299.68	1.66	-95.34
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2N=C1	REAL300020058851	0	35	-2.0	-99.69	324.20	3.20	-96.49
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2N=C1	REAL300020058851	1	35	-2.0	-99.67	324.26	3.20	-96.47
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020058853	1	37	-2.0	-98.74	331.41	2.71	-96.03
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020058853	1	37	-2.0	-98.64	331.47	2.69	-95.95
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300020058854	1	37	-2.0	-100.33	344.20	1.86	-98.47
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300020058854	1	37	-2.0	-100.31	344.27	1.85	-98.46
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1OC	REAL300020058855	0	38	-2.0	-97.60	354.83	2.60	-95.00
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1OC	REAL300020058855	1	38	-2.0	-97.60	354.89	2.60	-95.00
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(OC(F)F)C(F)=C1	REAL300020058856	1	34	-2.0	-95.50	328.49	2.49	-93.01
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(OC(F)F)C(F)=C1	REAL300020058856	1	34	-2.0	-95.48	328.55	2.48	-93.00
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300020058857	1	33	-2.0	-89.34	327.34	3.90	-85.44
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300020058857	1	33	-2.0	-89.34	327.40	3.89	-85.45
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C(F)F)C=C1	REAL300020058861	1	33	-2.0	-97.39	315.20	3.71	-93.68
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300020058862	1	40	-2.0	-104.05	357.22	6.26	-97.79
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300020058862	1	40	-2.0	-104.03	357.28	6.25	-97.78
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)N(C)N=C1	REAL300020058863	0	33	-2.0	-92.98	299.90	1.30	-91.68
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)N(C)N=C1	REAL300020058863	1	33	-2.0	-92.91	299.96	1.29	-91.62
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058864	0	39	-2.0	-103.43	365.14	4.48	-98.95
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058864	1	39	-2.0	-103.39	365.20	4.47	-98.92
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC=C1	REAL300020058867	0	27	-2.0	-95.76	274.12	1.75	-94.01
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC=C1	REAL300020058867	1	27	-2.0	-95.74	274.18	1.74	-94.00
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058868	0	41	-2.0	-108.30	366.35	2.36	-105.94
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058868	1	41	-2.0	-108.27	366.41	2.35	-105.92
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(Cl)=CC=C1F	REAL300020058869	0	30	-2.0	-98.81	305.25	3.42	-95.39
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(Cl)=CC=C1F	REAL300020058869	1	30	-2.0	-98.77	305.31	3.42	-95.35
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058870	0	39	-2.0	-101.29	360.55	5.62	-95.67
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058870	1	39	-2.0	-101.24	360.61	5.61	-95.63
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058871	0	39	-2.0	-100.84	356.37	5.33	-95.51
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058871	1	39	-2.0	-100.80	356.43	5.32	-95.48
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC2=CC=CC=C12	REAL300020058872	0	33	-2.0	-101.16	319.58	4.20	-96.96
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC2=CC=CC=C12	REAL300020058872	1	33	-2.0	-101.16	319.63	4.19	-96.97
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058873	1	42	-2.0	-104.94	381.84	5.20	-99.74
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058873	1	42	-2.0	-104.93	381.90	5.19	-99.74
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1C	REAL300020058875	1	42	-2.0	-97.40	375.69	4.95	-92.45
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1C	REAL300020058875	1	42	-2.0	-97.38	375.75	4.94	-92.44
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)C=CC(F)=C1F	REAL300020058876	0	30	-2.0	-100.21	305.36	3.70	-96.51
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)C=CC(F)=C1F	REAL300020058876	1	30	-2.0	-100.20	305.42	3.69	-96.51
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=C1OCO2	REAL300020058877	0	33	-2.0	-103.85	309.62	1.47	-102.38
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=C1OCO2	REAL300020058877	1	33	-2.0	-103.86	309.69	1.46	-102.40
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058878	1	36	-2.0	-91.66	337.24	4.61	-87.05
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=C2O1	REAL300020058879	0	41	-2.0	-111.59	360.89	4.05	-107.54
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=C2O1	REAL300020058879	1	41	-2.0	-111.55	360.95	4.04	-107.51
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1C(F)(F)F	REAL300020058880	1	34	-2.0	-88.91	339.68	4.03	-84.88
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1C(F)(F)F	REAL300020058880	1	34	-2.0	-88.87	339.74	4.02	-84.85
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C2C=C1	REAL300020058882	1	39	-2.0	-102.24	350.31	5.77	-96.47
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C2C=C1	REAL300020058882	1	39	-2.0	-102.19	350.37	5.77	-96.42
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)C=CS1	REAL300020058883	0	27	-2.0	-97.41	291.00	2.29	-95.12
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)C=CS1	REAL300020058883	1	27	-2.0	-97.38	291.06	2.28	-95.10
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058884	0	30	-2.0	-98.00	296.59	2.50	-95.50
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058884	1	30	-2.0	-98.03	296.65	2.50	-95.53
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058886	1	36	-2.0	-123.56	327.43	0.43	-123.13
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2OC=CC2=CC=C1	REAL300020058887	0	33	-2.0	-108.26	310.95	3.15	-105.11
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2OC=CC2=CC=C1	REAL300020058887	1	33	-2.0	-108.24	311.01	3.15	-105.09
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=C(Cl)C=CN=C12	REAL300020058888	0	35	-2.0	-106.82	337.53	3.90	-102.92
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=C(Cl)C=CN=C12	REAL300020058888	1	35	-2.0	-106.77	337.60	3.89	-102.88
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058890	1	37	-2.0	-95.60	351.24	3.14	-92.46
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058890	1	37	-2.0	-95.58	351.30	3.14	-92.44
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC(F)=CC=C2O1	REAL300020058895	0	33	-2.0	-96.11	319.20	3.30	-92.81
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC(F)=CC=C2O1	REAL300020058895	1	33	-2.0	-96.06	319.26	3.30	-92.76
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)C2=CC=CC=C2S1	REAL300020058896	0	33	-2.0	-101.63	334.32	4.91	-96.72
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)C2=CC=CC=C2S1	REAL300020058896	1	33	-2.0	-101.62	334.38	4.90	-96.72
O=[N+]([O-])C1=CC(F)=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058897	0	32	-2.0	-95.75	326.69	4.83	-90.92
O=[N+]([O-])C1=CC(F)=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058897	1	32	-2.0	-95.68	326.76	4.82	-90.86
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(F)C=CS1	REAL300020058899	0	27	-2.0	-99.40	281.30	1.88	-97.52
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(F)C=CS1	REAL300020058899	1	27	-2.0	-99.38	281.36	1.87	-97.51
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058901	1	30	-2.0	-122.45	288.37	-1.21	-123.66
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(C(F)(F)F)=N1	REAL300020058902	0	33	-2.0	-99.56	321.66	1.69	-97.87
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(C(F)(F)F)=N1	REAL300020058902	1	33	-2.0	-99.52	321.72	1.68	-97.84
O=C1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C12	REAL300020058903	1	39	-2.0	-98.81	347.85	4.44	-94.37
O=C1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=CC=C12	REAL300020058903	1	39	-2.0	-98.85	347.91	4.43	-94.42
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300020058904	1	31	-2.0	-89.71	309.72	3.28	-86.43
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300020058904	1	31	-2.0	-89.70	309.78	3.27	-86.43
COC(CS(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020058905	1	40	-2.0	-104.04	346.48	4.10	-99.94
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C(F)C=C1C	REAL300020058907	0	39	-2.0	-98.68	359.29	4.10	-94.58
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C(F)C=C1C	REAL300020058907	1	39	-2.0	-98.65	359.35	4.09	-94.56
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)S1	REAL300020058908	0	30	-2.0	-90.95	315.60	3.03	-87.92
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)S1	REAL300020058908	1	30	-2.0	-90.93	315.66	3.03	-87.90
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C2=NON=C21	REAL300020058909	0	31	-2.0	-98.12	315.90	2.13	-95.99
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C2=NON=C21	REAL300020058909	1	31	-2.0	-98.06	315.97	2.12	-95.94
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2OCCCN2N=C1	REAL300020058910	0	35	-2.0	-104.28	320.01	-0.25	-104.53
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2OCCCN2N=C1	REAL300020058910	1	35	-2.0	-104.30	320.07	-0.26	-104.56
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020058912	0	33	-2.0	-101.75	315.64	3.28	-98.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020058912	1	33	-2.0	-101.73	315.70	3.27	-98.46
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CN=C1C	REAL300020058913	0	38	-2.0	-92.04	349.26	2.18	-89.86
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CN=C1C	REAL300020058913	1	38	-2.0	-92.01	349.32	2.17	-89.84
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058915	0	32	-2.0	-90.51	310.57	2.22	-88.29
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058915	1	32	-2.0	-90.52	310.63	2.22	-88.30
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1C(F)(F)F	REAL300020058916	1	36	-2.0	-92.54	337.45	4.36	-88.18
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058917	1	39	-2.0	-105.10	359.97	4.28	-100.82
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058917	1	39	-2.0	-105.08	360.03	4.27	-100.81
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=NN1C	REAL300020058918	0	33	-2.0	-97.16	303.66	1.07	-96.09
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=NN1C	REAL300020058918	1	33	-2.0	-97.11	303.72	1.06	-96.05
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058919	1	43	-2.0	-111.05	376.97	3.70	-107.35
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058919	1	43	-2.0	-111.04	377.04	3.70	-107.34
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058920	1	37	-2.0	-96.87	354.82	3.07	-93.80
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058920	1	37	-2.0	-96.80	354.88	3.07	-93.73
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058921	0	30	-2.0	-90.43	298.88	1.44	-88.99
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058921	1	30	-2.0	-90.39	298.94	1.43	-88.96
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C(Br)N1C	REAL300020058922	0	33	-2.0	-107.01	323.64	2.29	-104.72
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C(Br)N1C	REAL300020058922	1	33	-2.0	-106.99	323.70	2.28	-104.71
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058923	0	33	-2.0	-97.80	306.40	1.19	-96.61
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058923	1	33	-2.0	-97.78	306.46	1.19	-96.59
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300020058925	0	38	-2.0	-101.76	356.75	2.51	-99.25
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300020058925	1	38	-2.0	-101.74	356.81	2.50	-99.24
O=C1NC2=CC(F)=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C2O1	REAL300020058926	0	33	-2.0	-95.36	320.23	0.41	-94.95
O=C1NC2=CC(F)=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C2O1	REAL300020058926	1	33	-2.0	-95.32	320.29	0.40	-94.92
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020058927	1	34	-2.0	-93.33	328.54	2.70	-90.63
COC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020058927	1	34	-2.0	-93.32	328.60	2.69	-90.63
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2N=CSC2=CC=C1	REAL300020058928	0	32	-2.0	-109.98	314.22	2.26	-107.72
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2N=CSC2=CC=C1	REAL300020058928	1	32	-2.0	-109.97	314.28	2.25	-107.72
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2CCOC2=C1	REAL300020058929	1	35	-2.0	-102.04	318.82	2.68	-99.36
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2CCOC2=C1	REAL300020058929	1	35	-2.0	-102.00	318.88	2.68	-99.32
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(F)C2=CC=CC=C2C=C1	REAL300020058930	0	36	-2.0	-107.57	333.53	5.15	-102.42
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(F)C2=CC=CC=C2C=C1	REAL300020058930	1	36	-2.0	-107.60	333.59	5.14	-102.46
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=C1OC(F)(F)O2	REAL300020058931	0	33	-2.0	-103.50	323.18	1.91	-101.59
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=C1OC(F)(F)O2	REAL300020058931	1	33	-2.0	-103.45	323.25	1.90	-101.55
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058933	0	33	-2.0	-100.55	310.14	4.34	-96.21
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058933	1	33	-2.0	-100.51	310.21	4.33	-96.18
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=CC=C1OC(F)F	REAL300020058934	0	34	-2.0	-96.92	327.43	2.96	-93.96
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=CC=C1OC(F)F	REAL300020058934	1	34	-2.0	-96.92	327.49	2.95	-93.97
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=C1OCC2	REAL300020058935	0	35	-2.0	-109.21	319.33	2.66	-106.55
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=C1OCC2	REAL300020058935	1	35	-2.0	-109.19	319.39	2.65	-106.54
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300020058936	1	39	-2.0	-101.27	365.43	4.32	-96.95
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300020058936	1	39	-2.0	-101.26	365.50	4.31	-96.95
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C2=CC=CC(C)=C2S1	REAL300020058937	0	39	-2.0	-101.34	352.90	5.86	-95.48
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C2=CC=CC(C)=C2S1	REAL300020058937	1	39	-2.0	-101.29	352.97	5.85	-95.44
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300020058943	0	33	-2.0	-105.89	312.93	3.79	-102.10
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300020058943	1	33	-2.0	-105.85	312.99	3.78	-102.07
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1Br	REAL300020058944	0	30	-2.0	-93.76	306.58	0.99	-92.77
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1Br	REAL300020058944	1	30	-2.0	-93.75	306.64	0.98	-92.77
O=[N+]([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058945	0	32	-2.0	-96.91	311.24	3.51	-93.40
O=[N+]([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058945	1	32	-2.0	-96.91	311.30	3.51	-93.40
COC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058946	0	37	-2.0	-106.77	332.69	3.30	-103.47
COC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058946	1	37	-2.0	-106.78	332.75	3.29	-103.49
CC(=O)NCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020058947	0	37	-2.0	-99.65	357.64	1.00	-98.65
CC(=O)NCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020058947	1	37	-2.0	-99.61	357.70	0.99	-98.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C2=CC=CN=C12	REAL300020058948	1	38	-2.0	-102.00	339.32	4.10	-97.90
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C2=CC=CN=C12	REAL300020058948	1	38	-2.0	-102.02	339.38	4.10	-97.92
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300020058949	0	38	-2.0	-90.59	354.17	1.40	-89.19
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300020058949	1	38	-2.0	-90.57	354.23	1.39	-89.18
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC=N1	REAL300020058950	0	26	-2.0	-99.95	269.32	-0.28	-100.23
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC=N1	REAL300020058950	1	26	-2.0	-99.96	269.38	-0.29	-100.25
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058953	0	34	-2.0	-102.21	317.68	2.69	-99.52
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058953	1	34	-2.0	-102.24	317.74	2.69	-99.55
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2OC(F)(F)OC2=C1	REAL300020058954	1	33	-2.0	-89.98	322.60	1.94	-88.04
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2OC(F)(F)OC2=C1	REAL300020058954	1	33	-2.0	-89.95	322.66	1.93	-88.02
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020058955	1	38	-2.0	-97.81	345.43	4.67	-93.14
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020058955	1	38	-2.0	-97.86	345.49	4.66	-93.20
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058956	0	46	-2.0	-107.61	387.43	4.96	-102.65
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058956	1	46	-2.0	-107.59	387.49	4.95	-102.64
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1Cl	REAL300020058958	0	33	-2.0	-90.36	326.27	0.08	-90.28
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1Cl	REAL300020058958	1	33	-2.0	-90.37	326.34	0.07	-90.30
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020058959	1	33	-2.0	-94.31	318.48	3.95	-90.36
O=C1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C12	REAL300020058960	1	36	-2.0	-108.21	331.11	3.83	-104.38
O=C1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C12	REAL300020058960	1	36	-2.0	-108.17	331.17	3.82	-104.35
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C2)=N1	REAL300020058961	1	39	-2.0	-98.12	369.26	4.31	-93.81
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C2)=N1	REAL300020058961	1	39	-2.0	-98.15	369.32	4.30	-93.85
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058962	0	39	-2.0	-104.49	363.55	4.18	-100.31
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058962	1	39	-2.0	-104.48	363.61	4.17	-100.31
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C(F)=C1	REAL300020058966	1	30	-2.0	-90.87	305.61	3.41	-87.46
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C(F)=C1	REAL300020058966	1	30	-2.0	-90.82	305.67	3.40	-87.42
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=C1OCCCO2	REAL300020058967	0	39	-2.0	-103.76	344.71	3.20	-100.56
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=C1OCCCO2	REAL300020058967	1	39	-2.0	-103.73	344.77	3.19	-100.54
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1C#N	REAL300020058969	0	34	-2.0	-108.28	320.27	3.63	-104.65
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1C#N	REAL300020058969	1	34	-2.0	-108.25	320.33	3.62	-104.63
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300020058970	1	37	-2.0	-103.78	348.11	0.71	-103.07
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300020058970	1	37	-2.0	-103.79	348.17	0.70	-103.09
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=C1OCCC2	REAL300020058971	0	38	-2.0	-108.53	335.20	4.04	-104.49
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=C1OCCC2	REAL300020058971	1	38	-2.0	-108.50	335.26	4.03	-104.47
O=S(=O)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058973	1	33	-2.0	-99.65	328.39	0.06	-99.59
O=S(=O)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058973	1	33	-2.0	-99.63	328.45	0.06	-99.57
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058974	0	40	-2.0	-99.76	356.50	1.81	-97.95
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058974	1	40	-2.0	-99.75	356.56	1.81	-97.94
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300020058975	0	39	-2.0	-98.05	365.13	4.50	-93.55
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300020058975	1	39	-2.0	-98.00	365.19	4.49	-93.51
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)SC2=CC=C(C#N)C=C12	REAL300020058978	0	37	-2.0	-98.48	357.58	5.44	-93.04
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)SC2=CC=C(C#N)C=C12	REAL300020058978	1	37	-2.0	-98.48	357.65	5.43	-93.05
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058980	1	37	-2.0	-109.72	338.94	0.28	-109.44
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058980	1	37	-2.0	-109.68	339.00	0.27	-109.41
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=C2)=N1	REAL300020058981	1	42	-2.0	-100.77	376.49	2.73	-98.04
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=C2)=N1	REAL300020058981	1	42	-2.0	-100.79	376.56	2.72	-98.07
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)N(C)N=C1	REAL300020058982	0	36	-2.0	-99.52	332.25	1.91	-97.61
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)N(C)N=C1	REAL300020058982	1	36	-2.0	-99.50	332.31	1.91	-97.59
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC3=C2N1CC3	REAL300020058983	1	42	-2.0	-98.85	367.27	4.27	-94.58
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1C	REAL300020058984	1	41	-2.0	-102.50	367.72	1.93	-100.57
COC(CS(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1	REAL300020058985	1	40	-2.0	-96.41	365.28	3.60	-92.81
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=CC2=NC=CC=C21	REAL300020058986	0	37	-2.0	-107.25	349.52	4.63	-102.62
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=CC2=NC=CC=C21	REAL300020058986	1	37	-2.0	-107.17	349.58	4.63	-102.54
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)N1C	REAL300020058987	0	33	-2.0	-97.10	302.20	1.87	-95.23
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)N1C	REAL300020058987	1	33	-2.0	-97.07	302.26	1.88	-95.19
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1F	REAL300020058988	0	36	-2.0	-100.80	347.82	3.58	-97.22
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1F	REAL300020058988	1	36	-2.0	-100.76	347.88	3.57	-97.19
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020058989	1	43	-2.0	-102.25	373.05	4.50	-97.75
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020058989	1	43	-2.0	-102.22	373.11	4.49	-97.73
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300020058992	0	43	-2.0	-96.66	384.72	5.11	-91.55
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=NN1CCC1=CC=CC=C1	REAL300020058992	1	43	-2.0	-96.63	384.78	5.10	-91.53
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CN1CC1CC1	REAL300020058993	0	43	-2.0	-108.73	377.13	4.64	-104.09
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CN1CC1CC1	REAL300020058993	1	43	-2.0	-108.65	377.19	4.61	-104.04
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300020058994	0	36	-2.0	-94.71	340.46	2.21	-92.50
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300020058994	1	36	-2.0	-94.69	340.52	2.20	-92.49
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C2C1	REAL300020058995	1	41	-2.0	-105.07	366.45	3.32	-101.75
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C2C1	REAL300020058995	1	41	-2.0	-105.07	366.50	3.31	-101.76
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=C(C2CC2)S1	REAL300020058996	0	33	-2.0	-96.40	322.77	2.34	-94.06
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=C(C2CC2)S1	REAL300020058996	1	33	-2.0	-96.39	322.83	2.33	-94.06
COC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058997	0	34	-2.0	-98.66	317.68	2.69	-95.97
COC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058997	1	34	-2.0	-98.64	317.75	2.69	-95.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(C)=C1[N+](=O)[O-]	REAL300020058998	1	38	-2.0	-95.61	347.09	5.16	-90.45
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(C)=C1[N+](=O)[O-]	REAL300020058998	1	38	-2.0	-95.62	347.15	5.14	-90.48
CN1N=CC(C2CC2)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020058999	0	37	-2.0	-95.30	329.57	2.73	-92.57
CN1N=CC(C2CC2)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020058999	1	37	-2.0	-95.27	329.63	2.71	-92.56
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059000	0	33	-2.0	-86.89	324.63	1.46	-85.43
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059000	1	33	-2.0	-86.89	324.69	1.45	-85.44
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2CCC3=C2C1=CC=C3	REAL300020059001	1	40	-2.0	-110.36	349.12	6.24	-104.12
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2CCC3=C2C1=CC=C3	REAL300020059001	1	40	-2.0	-110.28	349.18	6.23	-104.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(F)=C1F	REAL300020059002	0	33	-2.0	-102.42	315.14	3.61	-98.81
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(F)=C1F	REAL300020059002	1	33	-2.0	-102.39	315.21	3.60	-98.79
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL300020059004	0	32	-2.0	-110.71	310.09	1.82	-108.89
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL300020059004	1	32	-2.0	-110.66	310.15	1.81	-108.85
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C2=CC=CC=C2C=C1	REAL300020059005	1	39	-2.0	-106.95	338.04	6.12	-100.83
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C2=CC=CC=C2C=C1	REAL300020059005	1	39	-2.0	-106.92	338.10	6.11	-100.81
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059006	0	29	-2.0	-92.47	291.51	1.14	-91.33
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059006	1	29	-2.0	-92.48	291.57	1.13	-91.35
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300020059007	1	35	-2.0	-98.91	326.87	1.29	-97.62
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL300020059007	1	35	-2.0	-98.89	326.93	1.29	-97.60
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020059008	0	39	-2.0	-93.77	352.19	1.40	-92.37
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020059008	1	39	-2.0	-93.76	352.25	1.39	-92.37
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(C)=N1	REAL300020059009	0	42	-2.0	-97.35	370.93	3.60	-93.75
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(C)=N1	REAL300020059009	1	42	-2.0	-97.31	370.99	3.59	-93.72
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059011	0	34	-2.0	-98.00	315.77	2.98	-95.02
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059011	1	34	-2.0	-97.96	315.83	2.97	-94.99
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300020059013	1	42	-2.0	-96.61	361.24	5.10	-91.51
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300020059013	1	42	-2.0	-96.61	361.30	5.09	-91.52
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059014	0	31	-2.0	-90.65	310.26	3.30	-87.35
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059014	1	31	-2.0	-90.63	310.32	3.29	-87.34
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2ON=C(Cl)C2=C1	REAL300020059017	1	32	-2.0	-90.01	322.77	2.71	-87.30
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2ON=C(Cl)C2=C1	REAL300020059017	1	32	-2.0	-89.95	322.83	2.70	-87.25
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C(C2=CC=CC=C2)S1	REAL300020059018	0	39	-2.0	-107.23	363.72	4.41	-102.82
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C(C2=CC=CC=C2)S1	REAL300020059018	1	39	-2.0	-107.20	363.79	4.40	-102.80
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020059019	1	37	-2.0	-120.53	345.20	1.56	-118.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C([N+](=O)[O-])S1	REAL300020059020	0	32	-2.0	-105.80	317.60	4.04	-101.76
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C([N+](=O)[O-])S1	REAL300020059020	1	32	-2.0	-105.73	317.66	4.03	-101.70
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1C(F)(F)F	REAL300020059021	0	33	-2.0	-94.37	316.14	1.47	-92.90
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1C(F)(F)F	REAL300020059021	1	33	-2.0	-94.35	316.20	1.46	-92.89
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2C=CC=CN2N=C1	REAL300020059022	0	33	-2.0	-105.89	312.62	2.54	-103.35
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2C=CC=CN2N=C1	REAL300020059022	1	33	-2.0	-105.85	312.68	2.53	-103.32
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(Br)=N1	REAL300020059023	0	30	-2.0	-97.76	308.27	1.05	-96.71
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(Br)=N1	REAL300020059023	1	30	-2.0	-97.73	308.33	1.04	-96.69
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CNC2=CC=CC=C12	REAL300020059024	0	34	-2.0	-106.81	316.76	2.81	-104.00
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CNC2=CC=CC=C12	REAL300020059024	1	34	-2.0	-106.80	316.82	2.80	-104.00
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059025	0	40	-2.0	-96.60	344.00	2.96	-93.64
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059025	1	40	-2.0	-96.63	344.06	2.95	-93.68
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC=C1Br	REAL300020059026	0	27	-2.0	-95.91	292.34	2.42	-93.49
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC=C1Br	REAL300020059026	1	27	-2.0	-95.94	292.40	2.41	-93.53
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(C(C)(C)C)=N1	REAL300020059027	0	42	-2.0	-96.63	351.43	3.46	-93.17
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(C(C)(C)C)=N1	REAL300020059027	1	42	-2.0	-96.62	351.49	3.45	-93.17
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(C2CCCC2)N=C1	REAL300020059028	0	40	-2.0	-96.99	350.45	3.19	-93.80
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(C2CCCC2)N=C1	REAL300020059028	1	40	-2.0	-96.96	350.51	3.18	-93.78
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059029	0	33	-2.0	-91.12	317.34	1.73	-89.39
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059029	1	33	-2.0	-91.07	317.40	1.72	-89.35
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059032	0	33	-2.0	-111.98	314.01	0.50	-111.48
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059032	1	33	-2.0	-111.96	314.07	0.49	-111.47
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059033	0	36	-2.0	-97.39	325.87	1.99	-95.40
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059033	1	36	-2.0	-97.40	325.93	1.98	-95.42
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300020059034	0	35	-2.0	-98.90	328.81	3.33	-95.57
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300020059034	1	35	-2.0	-98.91	328.87	3.32	-95.59
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059035	0	35	-2.0	-113.24	324.59	-1.12	-114.36
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059035	1	35	-2.0	-113.19	324.65	-1.13	-114.32
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC=C(Cl)N=C2C=C1	REAL300020059036	1	35	-2.0	-95.67	340.85	3.65	-92.02
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C(C(F)F)=C1	REAL300020059037	1	33	-2.0	-95.02	322.22	3.80	-91.22
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020059040	1	37	-2.0	-102.80	346.76	4.80	-98.00
CC1=CN=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059043	0	32	-2.0	-98.71	312.77	2.20	-96.51
CC1=CN=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059043	1	32	-2.0	-98.67	312.83	2.18	-96.49
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=NS1	REAL300020059044	0	26	-2.0	-92.10	269.76	0.54	-91.56
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=NS1	REAL300020059044	1	26	-2.0	-92.11	269.82	0.54	-91.57
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059045	0	30	-2.0	-89.91	302.26	-1.36	-91.27
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059045	1	30	-2.0	-89.85	302.32	-1.37	-91.22
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)N(C)N=C1	REAL300020059046	0	39	-2.0	-99.78	354.12	2.84	-96.94
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)N(C)N=C1	REAL300020059046	1	39	-2.0	-99.77	354.18	2.83	-96.94
COC(=O)C1=CN2C=NC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=C2C=C1	REAL300020059049	0	39	-2.0	-108.42	364.41	4.73	-103.69
COC(=O)C1=CN2C=NC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=C2C=C1	REAL300020059049	1	39	-2.0	-108.37	364.47	4.72	-103.65
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=NN1C1=CC=CC=C1	REAL300020059050	0	36	-2.0	-94.18	329.31	2.76	-91.42
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=NN1C1=CC=CC=C1	REAL300020059050	1	36	-2.0	-94.10	329.38	2.75	-91.35
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C(C(N)=O)O1	REAL300020059051	0	34	-2.0	-97.08	322.53	-1.55	-98.63
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C(C(N)=O)O1	REAL300020059051	1	34	-2.0	-96.99	322.58	-1.56	-98.55
O=S(=O)(N=S1(=O)CCCC1)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059052	1	34	-2.0	-124.30	314.17	0.12	-124.18
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1F	REAL300020059053	1	37	-2.0	-122.93	351.65	1.70	-121.23
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCCC1	REAL300020059054	1	43	-2.0	-121.83	370.66	2.25	-119.58
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059055	1	39	-2.0	-122.87	346.58	0.87	-122.00
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC=C1C(F)F	REAL300020059057	0	30	-2.0	-97.60	298.39	2.89	-94.71
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC=C1C(F)F	REAL300020059057	1	30	-2.0	-97.55	298.45	2.88	-94.67
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=CC=NC=C21	REAL300020059059	0	35	-2.0	-108.25	319.27	3.35	-104.90
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=CC=NC=C21	REAL300020059059	1	35	-2.0	-108.18	319.33	3.33	-104.85
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059060	0	37	-2.0	-103.81	344.41	3.05	-100.76
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059060	1	37	-2.0	-103.79	344.47	3.04	-100.75
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)N=N1	REAL300020059061	0	29	-2.0	-101.20	281.82	-0.84	-102.04
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)N=N1	REAL300020059061	1	29	-2.0	-101.14	281.87	-0.85	-101.99
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059062	0	33	-2.0	-90.51	337.58	2.11	-88.40
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059062	1	33	-2.0	-90.48	337.64	2.10	-88.38
COC1=NC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059063	0	33	-2.0	-103.27	308.96	0.04	-103.23
COC1=NC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059063	1	33	-2.0	-103.24	309.01	0.04	-103.20
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C21	REAL300020059064	1	44	-2.0	-97.51	378.58	2.92	-94.59
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C21	REAL300020059065	1	44	-2.0	-120.96	383.85	4.78	-116.18
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C21	REAL300020059065	1	44	-2.0	-120.95	383.91	4.77	-116.18
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(C2CCC2)N=C1	REAL300020059066	0	37	-2.0	-97.37	332.92	2.51	-94.86
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(C2CCC2)N=C1	REAL300020059066	1	37	-2.0	-97.33	332.98	2.51	-94.82
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=NN1C1CCC1	REAL300020059067	0	37	-2.0	-94.59	330.31	2.71	-91.88
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=NN1C1CCC1	REAL300020059067	1	37	-2.0	-94.56	330.37	2.72	-91.84
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=NN1CC1CCC1	REAL300020059068	0	40	-2.0	-95.22	352.57	3.36	-91.86
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=NN1CC1CCC1	REAL300020059068	1	40	-2.0	-95.17	352.63	3.35	-91.82
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=NN2C1	REAL300020059069	0	41	-2.0	-104.32	358.06	0.85	-103.47
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=NN2C1	REAL300020059069	1	41	-2.0	-104.29	358.13	0.84	-103.45
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=C(C2=CC=CC=C2)S1	REAL300020059070	0	36	-2.0	-98.70	349.86	3.75	-94.95
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=C(C2=CC=CC=C2)S1	REAL300020059070	1	36	-2.0	-98.68	349.92	3.74	-94.94
O=C1COC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C2N1	REAL300020059071	1	36	-2.0	-96.46	333.76	0.07	-96.39
O=C1COC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=CC=C2N1	REAL300020059071	1	36	-2.0	-96.44	333.82	0.06	-96.38
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Br)C=CO1	REAL300020059072	0	27	-2.0	-97.41	287.12	1.43	-95.98
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Br)C=CO1	REAL300020059072	1	27	-2.0	-97.40	287.18	1.42	-95.98
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=C2CCCCN12	REAL300020059073	0	37	-2.0	-99.44	325.93	2.91	-96.53
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=C2CCCCN12	REAL300020059073	1	37	-2.0	-99.43	325.99	2.90	-96.53
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300020059074	1	34	-2.0	-89.70	328.89	2.39	-87.31
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300020059074	1	34	-2.0	-89.70	328.95	2.38	-87.32
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL300020059075	0	34	-2.0	-96.83	324.20	2.28	-94.55
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL300020059075	1	34	-2.0	-96.81	324.26	2.27	-94.54
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059077	0	40	-2.0	-103.82	357.46	4.24	-99.58
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059077	1	40	-2.0	-103.78	357.52	4.23	-99.55
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059078	0	33	-2.0	-95.52	306.06	3.54	-91.98
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059078	1	33	-2.0	-95.60	306.13	3.54	-92.06
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=C(C2OCCO2)S1	REAL300020059079	0	35	-2.0	-97.41	338.93	-0.39	-97.80
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=C(C2OCCO2)S1	REAL300020059079	1	35	-2.0	-97.38	339.00	-0.40	-97.78
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=C2O1	REAL300020059080	0	38	-2.0	-110.00	340.19	3.42	-106.58
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=C2O1	REAL300020059080	1	38	-2.0	-110.03	340.26	3.41	-106.62
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020059081	0	38	-2.0	-96.57	351.69	2.51	-94.06
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020059081	1	38	-2.0	-96.52	351.75	2.50	-94.02
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C2)CC1	REAL300020059082	1	38	-2.0	-100.83	351.26	5.05	-95.78
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059083	0	34	-2.0	-100.89	323.01	3.45	-97.44
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059083	1	34	-2.0	-100.89	323.06	3.45	-97.44
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)C=CC2=C1OCCO2	REAL300020059084	0	36	-2.0	-104.91	336.70	3.46	-101.45
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)C=CC2=C1OCCO2	REAL300020059084	1	36	-2.0	-104.93	336.76	3.45	-101.48
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C21	REAL300020059085	1	44	-2.0	-119.54	382.58	4.47	-115.07
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C21	REAL300020059085	1	44	-2.0	-119.55	382.64	4.47	-115.08
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC=C1Cl	REAL300020059086	0	27	-2.0	-96.68	288.45	2.28	-94.40
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC=C1Cl	REAL300020059086	1	27	-2.0	-96.61	288.50	2.27	-94.34
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059087	0	30	-2.0	-88.50	304.97	0.96	-87.54
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059087	1	30	-2.0	-88.47	305.03	0.95	-87.52
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=CC(C(F)(F)F)=C1	REAL300020059088	0	32	-2.0	-90.12	317.18	2.03	-88.09
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=CC(C(F)(F)F)=C1	REAL300020059088	1	32	-2.0	-90.11	317.24	2.03	-88.08
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CS1	REAL300020059089	0	29	-2.0	-100.90	291.27	0.44	-100.46
CC1=NC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CS1	REAL300020059089	1	29	-2.0	-100.90	291.33	0.42	-100.48
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059090	0	35	-2.0	-113.73	324.76	2.43	-111.30
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059090	1	35	-2.0	-113.71	324.82	2.42	-111.29
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059091	0	32	-2.0	-88.17	296.94	0.17	-88.00
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059091	1	32	-2.0	-88.11	297.01	0.17	-87.94
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=NON=C2C=C1	REAL300020059092	1	31	-2.0	-89.00	297.90	1.62	-87.38
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=NON=C2C=C1	REAL300020059092	1	31	-2.0	-88.95	297.95	1.62	-87.33
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2S1	REAL300020059093	0	33	-2.0	-101.36	321.87	4.26	-97.10
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2S1	REAL300020059093	1	33	-2.0	-101.31	321.93	4.26	-97.05
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059094	0	37	-2.0	-93.57	333.95	2.60	-90.97
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059094	1	37	-2.0	-93.59	334.01	2.60	-90.99
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1OC	REAL300020059096	0	38	-2.0	-102.80	338.77	2.76	-100.04
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1OC	REAL300020059096	1	38	-2.0	-102.81	338.83	2.76	-100.05
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=COC2=CC=CC=C12	REAL300020059098	0	33	-2.0	-101.84	312.79	3.12	-98.72
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=COC2=CC=CC=C12	REAL300020059098	1	33	-2.0	-101.82	312.85	3.11	-98.71
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1OC	REAL300020059099	0	38	-2.0	-106.20	346.00	3.10	-103.10
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1OC	REAL300020059099	1	38	-2.0	-106.22	346.06	3.10	-103.12
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(C2CCCC2)=N1	REAL300020059100	0	43	-2.0	-101.32	371.80	3.74	-97.58
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(C2CCCC2)=N1	REAL300020059100	1	43	-2.0	-101.29	371.86	3.73	-97.56
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(C2CC2)=N1	REAL300020059101	0	37	-2.0	-100.15	338.32	2.76	-97.39
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(C2CC2)=N1	REAL300020059101	1	37	-2.0	-100.13	338.38	2.76	-97.37
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(F)C=CC2=C1OCO2	REAL300020059103	0	33	-2.0	-106.77	312.45	2.03	-104.74
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(F)C=CC2=C1OCO2	REAL300020059103	1	33	-2.0	-106.79	312.51	2.03	-104.76
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=CC=C21	REAL300020059104	0	35	-2.0	-117.09	327.56	1.24	-115.85
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=CC=C21	REAL300020059104	1	35	-2.0	-117.07	327.62	1.23	-115.84
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059105	0	30	-2.0	-97.06	300.31	-1.29	-98.35
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059105	1	30	-2.0	-97.01	300.38	-1.30	-98.31
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020059106	0	39	-2.0	-97.97	347.51	2.56	-95.41
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020059106	1	39	-2.0	-97.95	347.58	2.55	-95.40
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2C=COC2=C(F)C=C1	REAL300020059107	0	33	-2.0	-97.53	316.72	3.22	-94.31
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2C=COC2=C(F)C=C1	REAL300020059107	1	33	-2.0	-97.49	316.78	3.22	-94.27
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(C2CCC2)=N1	REAL300020059108	0	40	-2.0	-100.61	354.57	3.25	-97.36
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(C2CCC2)=N1	REAL300020059108	1	40	-2.0	-100.60	354.63	3.24	-97.36
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059109	1	48	-2.0	-102.75	397.25	6.75	-96.00
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)SC=C1	REAL300020059110	0	27	-2.0	-96.11	288.86	2.38	-93.73
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)SC=C1	REAL300020059110	1	27	-2.0	-96.14	288.92	2.37	-93.77
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(CC2CCC2)N=C1	REAL300020059111	0	40	-2.0	-97.82	356.99	3.49	-94.33
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(CC2CCC2)N=C1	REAL300020059111	1	40	-2.0	-97.84	357.05	3.48	-94.36
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(C2CC2)C=CS1	REAL300020059112	0	34	-2.0	-102.71	319.76	4.04	-98.67
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(C2CC2)C=CS1	REAL300020059112	1	34	-2.0	-102.67	319.82	4.03	-98.64
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020059113	1	43	-2.0	-107.86	372.81	1.25	-106.61
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C2=NC=CC=C2C=C1	REAL300020059114	0	39	-2.0	-123.58	348.45	4.04	-119.54
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C2=NC=CC=C2C=C1	REAL300020059114	1	39	-2.0	-123.54	348.51	4.03	-119.51
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059115	1	39	-2.0	-100.85	347.41	5.05	-95.80
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059116	0	36	-2.0	-91.96	339.30	1.18	-90.78
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059116	1	36	-2.0	-91.90	339.36	1.17	-90.73
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059117	0	37	-2.0	-97.38	328.73	2.36	-95.02
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059117	1	37	-2.0	-97.36	328.79	2.35	-95.01
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1	REAL300020059118	0	34	-2.0	-86.53	339.47	4.18	-82.35
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1	REAL300020059118	1	34	-2.0	-86.54	339.53	4.17	-82.37
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059120	0	39	-2.0	-92.04	330.01	2.74	-89.30
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059120	1	39	-2.0	-92.00	330.07	2.73	-89.27
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=CN=C1C(F)(F)F	REAL300020059121	0	35	-2.0	-90.02	333.94	2.66	-87.36
CC1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=CN=C1C(F)(F)F	REAL300020059121	1	35	-2.0	-89.95	334.00	2.65	-87.30
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300020059122	1	33	-2.0	-90.30	328.16	3.91	-86.39
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300020059122	1	33	-2.0	-90.25	328.22	3.90	-86.35
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(CF)C=C1	REAL300020059123	1	33	-2.0	-98.78	311.00	3.66	-95.12
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(C(F)(F)F)SC=C1	REAL300020059124	0	30	-2.0	-97.94	304.55	3.21	-94.73
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(C(F)(F)F)SC=C1	REAL300020059124	1	30	-2.0	-97.88	304.61	3.20	-94.68
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC(C(F)(F)F)=C1	REAL300020059125	0	30	-2.0	-91.27	314.76	2.95	-88.32
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC(C(F)(F)F)=C1	REAL300020059125	1	30	-2.0	-91.22	314.82	2.94	-88.28
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059126	0	33	-2.0	-93.04	305.20	1.06	-91.98
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059126	1	33	-2.0	-93.06	305.26	1.05	-92.01
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1C(F)F	REAL300020059128	0	33	-2.0	-98.12	310.81	3.86	-94.26
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1C(F)F	REAL300020059128	1	33	-2.0	-98.11	310.87	3.85	-94.26
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059129	1	41	-2.0	-108.83	367.60	4.88	-103.95
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059129	1	41	-2.0	-108.86	367.66	4.87	-103.99
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300020059131	1	40	-2.0	-102.75	363.26	4.53	-98.22
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL300020059131	1	40	-2.0	-102.68	363.32	4.52	-98.16
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059133	0	35	-2.0	-96.26	341.79	3.33	-92.93
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059133	1	35	-2.0	-96.17	341.85	3.32	-92.85
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020059134	1	39	-2.0	-99.89	361.46	4.49	-95.40
O=C1CCC(=O)N1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020059135	0	39	-2.0	-106.94	357.14	2.80	-104.14
O=C1CCC(=O)N1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020059135	1	39	-2.0	-106.90	357.20	2.80	-104.10
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC=C1C(F)(F)F	REAL300020059136	0	30	-2.0	-99.04	303.04	3.08	-95.96
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC=C1C(F)(F)F	REAL300020059136	1	30	-2.0	-99.03	303.10	3.07	-95.96
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(C2CC2)=C1	REAL300020059137	1	37	-2.0	-100.96	332.24	4.95	-96.01
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=CS1	REAL300020059138	0	31	-2.0	-102.70	305.26	1.30	-101.40
COC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=CS1	REAL300020059138	1	31	-2.0	-102.71	305.32	1.29	-101.42
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=CC=C1C(F)(F)F	REAL300020059139	0	33	-2.0	-97.24	315.28	4.30	-92.94
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=CC=C1C(F)(F)F	REAL300020059139	1	33	-2.0	-97.26	315.35	4.29	-92.97
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059140	0	36	-2.0	-94.70	349.20	3.18	-91.52
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059140	1	36	-2.0	-94.71	349.26	3.18	-91.53
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C2CC2)C=C1F	REAL300020059141	0	37	-2.0	-102.64	337.74	5.01	-97.63
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C2CC2)C=C1F	REAL300020059141	1	37	-2.0	-102.64	337.80	5.00	-97.64
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=NN1C1CCCC1	REAL300020059142	0	40	-2.0	-94.95	347.79	3.44	-91.51
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=NN1C1CCCC1	REAL300020059142	1	40	-2.0	-94.92	347.85	3.44	-91.48
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059143	0	39	-2.0	-95.07	344.16	2.66	-92.41
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059143	1	39	-2.0	-95.06	344.22	2.66	-92.40
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059144	0	33	-2.0	-106.30	336.96	-0.66	-106.96
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059144	1	33	-2.0	-106.26	337.02	-0.67	-106.93
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)O1	REAL300020059145	0	30	-2.0	-92.30	306.88	2.06	-90.24
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)O1	REAL300020059145	1	30	-2.0	-92.28	306.94	2.05	-90.23
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059146	0	34	-2.0	-95.12	323.94	2.76	-92.36
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059146	1	34	-2.0	-95.14	324.00	2.75	-92.39
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(C2CCOCC2)=N1	REAL300020059147	0	44	-2.0	-99.27	381.34	1.98	-97.29
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(C2CCOCC2)=N1	REAL300020059147	1	44	-2.0	-99.22	381.40	1.97	-97.25
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059148	1	36	-2.0	-99.64	336.23	4.37	-95.27
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059148	1	36	-2.0	-99.62	336.29	4.37	-95.25
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(OC(F)F)=C1	REAL300020059149	1	34	-2.0	-99.04	322.27	2.42	-96.62
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(OC(F)F)=C1	REAL300020059149	1	34	-2.0	-99.04	322.33	2.40	-96.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020059150	0	31	-2.0	-96.17	306.82	1.29	-94.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020059150	1	31	-2.0	-96.13	306.87	1.28	-94.85
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C2=NC=CC=C12	REAL300020059151	0	41	-2.0	-115.94	354.46	5.18	-110.76
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C2=NC=CC=C12	REAL300020059151	1	41	-2.0	-115.91	354.52	5.17	-110.74
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(CCF)N=C1	REAL300020059152	0	33	-2.0	-94.69	315.69	1.53	-93.16
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(CCF)N=C1	REAL300020059152	1	33	-2.0	-94.70	315.75	1.53	-93.17
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059153	1	40	-2.0	-101.44	359.94	3.53	-97.91
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059153	1	40	-2.0	-101.40	360.00	3.52	-97.88
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059154	0	40	-2.0	-95.56	362.70	4.03	-91.53
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059154	1	40	-2.0	-95.49	362.75	4.02	-91.47
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN(C2CCCCC2)N=C1	REAL300020059155	0	43	-2.0	-96.92	369.40	3.77	-93.15
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN(C2CCCCC2)N=C1	REAL300020059155	1	43	-2.0	-96.92	369.46	3.76	-93.16
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1CF	REAL300020059157	1	33	-2.0	-102.54	304.65	3.75	-98.79
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1CF	REAL300020059157	1	33	-2.0	-102.51	304.72	3.75	-98.76
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059158	1	42	-2.0	-104.26	369.80	5.44	-98.82
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059158	1	42	-2.0	-104.20	369.86	5.43	-98.77
CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059159	0	32	-2.0	-96.84	299.48	1.70	-95.14
CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059159	1	32	-2.0	-96.76	299.55	1.70	-95.06
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1Cl	REAL300020059160	0	33	-2.0	-94.66	324.71	1.76	-92.90
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1Cl	REAL300020059160	1	33	-2.0	-94.65	324.77	1.75	-92.90
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)N=C1F	REAL300020059161	0	32	-2.0	-94.14	324.03	2.11	-92.03
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)N=C1F	REAL300020059161	1	32	-2.0	-94.11	324.09	2.11	-92.00
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)O1	REAL300020059162	0	27	-2.0	-93.10	282.76	1.45	-91.65
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)O1	REAL300020059162	1	27	-2.0	-93.06	282.83	1.45	-91.61
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC2=CN=C(Cl)C=C21	REAL300020059163	1	35	-2.0	-108.08	336.22	3.81	-104.27
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC2=CN=C(Cl)C=C21	REAL300020059163	1	35	-2.0	-108.06	336.28	3.80	-104.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C2=CC=CC=C12	REAL300020059164	1	39	-2.0	-108.30	341.79	5.68	-102.62
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C2=CC=CC=C12	REAL300020059164	1	39	-2.0	-108.29	341.85	5.68	-102.61
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300020059166	1	44	-2.0	-96.05	387.16	4.33	-91.72
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)O1	REAL300020059167	0	36	-2.0	-110.32	346.64	-0.87	-111.19
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300020059167	1	36	-2.0	-110.28	346.70	-0.87	-111.15
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(C2=CC=CC=C2)=N1	REAL300020059168	0	40	-2.0	-102.64	360.41	4.26	-98.38
CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(C2=CC=CC=C2)=N1	REAL300020059168	1	40	-2.0	-102.60	360.47	4.25	-98.35
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C2CC2)S1	REAL300020059170	0	34	-2.0	-99.31	326.83	4.16	-95.15
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C2CC2)S1	REAL300020059170	1	34	-2.0	-99.27	326.89	4.16	-95.11
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=C2C=CC=CN12	REAL300020059171	0	33	-2.0	-102.47	308.52	3.24	-99.23
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=C2C=CC=CN12	REAL300020059171	1	33	-2.0	-102.43	308.58	3.23	-99.20
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C2SC=NC2=C1	REAL300020059172	1	32	-2.0	-100.84	313.96	2.24	-98.60
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C2SC=NC2=C1	REAL300020059172	1	32	-2.0	-100.83	314.02	2.23	-98.60
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL300020059173	0	32	-2.0	-97.15	303.73	-0.29	-97.44
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL300020059173	1	32	-2.0	-97.15	303.79	-0.30	-97.45
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020059174	0	33	-2.0	-89.97	328.47	3.65	-86.32
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020059174	1	33	-2.0	-89.95	328.53	3.64	-86.31
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Br)C=NS1	REAL300020059176	0	26	-2.0	-89.13	286.95	1.26	-87.87
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Br)C=NS1	REAL300020059176	1	26	-2.0	-89.09	287.01	1.25	-87.84
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020059177	1	40	-2.0	-99.02	369.71	4.74	-94.28
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=NN1	REAL300020059178	0	36	-2.0	-97.29	343.22	0.65	-96.64
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=NN1	REAL300020059178	1	36	-2.0	-97.28	343.28	0.64	-96.64
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1OC	REAL300020059179	0	35	-2.0	-99.82	335.98	0.85	-98.97
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1OC	REAL300020059179	1	35	-2.0	-99.78	336.04	0.84	-98.94
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020059180	0	41	-2.0	-96.94	357.29	3.65	-93.29
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020059180	1	41	-2.0	-96.89	357.34	3.65	-93.24
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C(OC(F)F)=C1	REAL300020059181	1	34	-2.0	-98.25	328.49	2.49	-95.76
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C(OC(F)F)=C1	REAL300020059181	1	34	-2.0	-98.15	328.55	2.48	-95.67
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059182	0	36	-2.0	-97.89	327.44	2.77	-95.12
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059182	1	36	-2.0	-97.88	327.50	2.78	-95.10
CC1=CC=C(C2=NOC(CS(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=C2)C=C1	REAL300020059183	1	42	-2.0	-97.22	382.51	5.44	-91.78
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=CC=C21	REAL300020059184	1	37	-2.0	-106.01	336.72	4.60	-101.41
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=CC=C21	REAL300020059184	1	37	-2.0	-106.01	336.78	4.59	-101.42
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(F)=C1C(F)(F)F	REAL300020059185	0	33	-2.0	-101.11	313.70	4.23	-96.88
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(F)=C1C(F)(F)F	REAL300020059185	1	33	-2.0	-101.09	313.76	4.22	-96.87
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(Cl)=C(Cl)S1	REAL300020059186	0	27	-2.0	-88.45	308.10	2.94	-85.51
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(Cl)=C(Cl)S1	REAL300020059186	1	27	-2.0	-88.46	308.16	2.93	-85.53
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1Cl	REAL300020059187	0	30	-2.0	-94.25	302.88	0.89	-93.36
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1Cl	REAL300020059187	1	30	-2.0	-94.31	302.94	0.88	-93.43
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059188	0	43	-2.0	-100.71	376.81	5.25	-95.46
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059188	1	43	-2.0	-100.71	376.87	5.25	-95.46
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1)C(F)F	REAL300020059189	1	35	-2.0	-97.23	334.49	3.48	-93.75
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1)C(F)F	REAL300020059189	1	35	-2.0	-97.20	334.55	3.47	-93.73
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020059190	1	41	-2.0	-101.86	371.70	5.68	-96.18
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020059190	1	41	-2.0	-101.85	371.76	5.67	-96.18
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059191	0	36	-2.0	-110.64	320.87	4.67	-105.97
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059191	1	36	-2.0	-110.66	320.93	4.66	-106.00
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C2C1(F)F	REAL300020059192	1	35	-2.0	-96.31	337.88	1.42	-94.89
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C2=NSN=C21	REAL300020059193	0	31	-2.0	-100.50	324.52	1.62	-98.88
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C2=NSN=C21	REAL300020059193	1	31	-2.0	-100.49	324.58	1.62	-98.87
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300020059194	0	39	-2.0	-102.91	364.94	1.89	-101.02
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300020059194	1	39	-2.0	-102.89	365.00	1.89	-101.00
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)=C21	REAL300020059195	0	37	-2.0	-100.00	323.96	4.76	-95.24
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)=C21	REAL300020059195	1	37	-2.0	-100.02	324.02	4.76	-95.26
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C2=N1	REAL300020059196	0	35	-2.0	-109.18	326.62	1.20	-107.98
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C2=N1	REAL300020059196	1	35	-2.0	-109.16	326.68	1.19	-107.97
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059197	0	32	-2.0	-90.09	310.77	2.23	-87.86
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059197	1	32	-2.0	-90.07	310.83	2.22	-87.85
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059198	1	41	-2.0	-102.51	366.35	4.46	-98.05
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059198	1	41	-2.0	-102.48	366.41	4.45	-98.03
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(C2CC2)=N1	REAL300020059199	0	40	-2.0	-100.23	359.85	3.63	-96.60
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(C2CC2)=N1	REAL300020059199	1	40	-2.0	-100.20	359.91	3.62	-96.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C2=NSN=C2C=C1	REAL300020059200	0	34	-2.0	-106.27	321.04	2.20	-104.07
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C2=NSN=C2C=C1	REAL300020059200	1	34	-2.0	-106.19	321.10	2.19	-104.00
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300020059201	1	36	-2.0	-97.42	345.65	5.62	-91.80
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300020059201	1	36	-2.0	-97.45	345.71	5.61	-91.84
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=NC=C1	REAL300020059202	1	29	-2.0	-93.52	278.19	1.06	-92.46
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=NC=C1	REAL300020059202	1	29	-2.0	-93.48	278.25	1.05	-92.43
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059203	0	43	-2.0	-95.98	369.78	4.04	-91.94
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059203	1	43	-2.0	-95.95	369.84	4.03	-91.92
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Cl)OC=C1	REAL300020059204	0	27	-2.0	-95.65	281.81	1.35	-94.30
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Cl)OC=C1	REAL300020059204	1	27	-2.0	-95.62	281.87	1.34	-94.28
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(Cl)=CS1	REAL300020059205	0	27	-2.0	-93.02	291.83	2.35	-90.67
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(Cl)=CS1	REAL300020059205	1	27	-2.0	-92.98	291.89	2.35	-90.63
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059206	0	44	-2.0	-106.59	387.85	3.14	-103.45
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059206	1	44	-2.0	-106.61	387.91	3.13	-103.48
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2C=C1Cl	REAL300020059207	0	36	-2.0	-103.00	341.87	5.68	-97.32
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2C=C1Cl	REAL300020059207	1	36	-2.0	-102.96	341.93	5.67	-97.29
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059208	0	38	-2.0	-95.02	335.29	0.58	-94.44
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059208	1	38	-2.0	-95.01	335.36	0.57	-94.44
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1C1CC1	REAL300020059209	1	37	-2.0	-102.51	326.58	5.00	-97.51
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(C)=N1	REAL300020059210	1	36	-2.0	-92.96	325.86	0.28	-92.68
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(C)=N1	REAL300020059210	1	36	-2.0	-92.95	325.93	0.27	-92.68
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059211	0	36	-2.0	-103.46	330.41	0.68	-102.78
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059211	1	36	-2.0	-103.40	330.47	0.67	-102.73
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059212	0	33	-2.0	-97.33	325.72	0.53	-96.80
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059212	1	33	-2.0	-97.35	325.78	0.52	-96.83
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1C	REAL300020059213	0	36	-2.0	-94.24	330.33	0.25	-93.99
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1C	REAL300020059213	1	36	-2.0	-94.24	330.39	0.24	-94.00
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020059214	0	39	-2.0	-97.13	350.44	2.93	-94.20
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020059214	1	39	-2.0	-97.15	350.50	2.93	-94.22
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059215	0	39	-2.0	-98.11	346.62	2.57	-95.54
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059215	1	39	-2.0	-98.10	346.68	2.56	-95.54
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CSC(C(F)(F)F)=N1	REAL300020059216	0	29	-2.0	-95.84	310.36	0.83	-95.01
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CSC(C(F)(F)F)=N1	REAL300020059216	1	29	-2.0	-95.77	310.42	0.82	-94.95
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=CO1	REAL300020059217	0	28	-2.0	-99.44	285.98	1.24	-98.20
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=CO1	REAL300020059217	1	28	-2.0	-99.38	286.04	1.23	-98.15
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)SC=C1	REAL300020059218	0	28	-2.0	-98.77	295.07	2.17	-96.60
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)SC=C1	REAL300020059218	1	28	-2.0	-98.75	295.13	2.16	-96.59
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059220	0	36	-2.0	-94.57	325.92	2.03	-92.54
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059220	1	36	-2.0	-94.54	325.98	2.02	-92.52
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C1C	REAL300020059221	0	38	-2.0	-91.99	349.80	2.21	-89.78
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C1C	REAL300020059221	1	38	-2.0	-92.00	349.86	2.20	-89.80
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059222	0	33	-2.0	-104.51	324.86	4.65	-99.86
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059222	1	33	-2.0	-104.53	324.92	4.64	-99.89
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=NN1CC1CC1	REAL300020059223	0	37	-2.0	-93.12	335.23	2.95	-90.17
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=NN1CC1CC1	REAL300020059223	1	37	-2.0	-93.04	335.29	2.95	-90.09
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=NN1C1=CC=CC=C1	REAL300020059224	0	37	-2.0	-101.70	339.27	3.84	-97.86
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=NN1C1=CC=CC=C1	REAL300020059224	1	37	-2.0	-101.62	339.33	3.83	-97.79
COC(=O)C1=NOC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059225	0	32	-2.0	-88.69	317.10	0.84	-87.85
COC(=O)C1=NOC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059225	1	32	-2.0	-88.67	317.16	0.83	-87.84
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1(C(F)F)CC1	REAL300020059228	0	30	-2.0	-102.70	284.51	2.55	-100.15
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1(C(F)F)CC1	REAL300020059228	1	30	-2.0	-102.68	284.57	2.55	-100.13
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)N=CN1	REAL300020059231	0	30	-2.0	-106.49	282.13	0.94	-105.55
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)N=CN1	REAL300020059231	1	30	-2.0	-106.47	282.19	0.94	-105.53
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=NN1C(C)C	REAL300020059232	0	39	-2.0	-97.89	347.52	2.58	-95.31
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=NN1C(C)C	REAL300020059232	1	39	-2.0	-97.86	347.58	2.57	-95.29
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(C2CC2(F)F)=C1	REAL300020059233	1	37	-2.0	-106.82	342.87	5.05	-101.77
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(C2CC2(F)F)=C1	REAL300020059233	1	37	-2.0	-106.80	342.94	5.04	-101.76
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=CC(C(F)F)=C1	REAL300020059234	0	32	-2.0	-99.30	312.25	1.95	-97.35
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=CC(C(F)F)=C1	REAL300020059234	1	32	-2.0	-99.22	312.31	1.94	-97.28
O=S(=O)(F)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059235	0	30	-2.0	-98.65	321.66	-0.97	-99.62
O=S(=O)(F)C1=CSC(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059235	1	30	-2.0	-98.63	321.72	-0.97	-99.60
O=S(=O)(CC1=NOC(C2CC2)=N1)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL300020059237	0	35	-2.0	-100.66	329.33	0.60	-100.06
O=S(=O)(CC1=NOC(C2CC2)=N1)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL300020059237	1	35	-2.0	-100.65	329.40	0.59	-100.06
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C2CC2(F)F)C=C1	REAL300020059238	1	37	-2.0	-99.82	344.55	5.07	-94.75
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CNC2=CC(Cl)=CC=C12	REAL300020059239	0	34	-2.0	-101.37	333.47	3.31	-98.06
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CNC2=CC(Cl)=CC=C12	REAL300020059239	1	34	-2.0	-101.38	333.53	3.30	-98.08
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(C(F)F)=CC=C1F	REAL300020059240	0	33	-2.0	-102.54	320.69	3.77	-98.77
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(C(F)F)=CC=C1F	REAL300020059240	1	33	-2.0	-102.50	320.75	3.77	-98.73
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=NN(C2CC2(F)F)C=C1	REAL300020059241	0	34	-2.0	-108.70	330.91	2.10	-106.60
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=NN(C2CC2(F)F)C=C1	REAL300020059241	1	34	-2.0	-108.70	330.97	2.10	-106.60
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1C1CC1(F)F	REAL300020059242	1	37	-2.0	-106.96	338.84	5.14	-101.82
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1C1CC1(F)F	REAL300020059242	1	37	-2.0	-106.91	338.90	5.12	-101.79
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(Cl)=C1Cl	REAL300020059243	0	33	-2.0	-98.68	330.06	4.44	-94.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(Cl)=C1Cl	REAL300020059243	1	33	-2.0	-98.66	330.12	4.43	-94.23
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300020059244	0	37	-2.0	-99.42	350.96	3.89	-95.53
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300020059244	1	37	-2.0	-99.38	351.02	3.88	-95.50
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C(C(F)F)=C1	REAL300020059245	1	37	-2.0	-104.82	333.47	3.43	-101.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C(C(F)F)=C1	REAL300020059245	1	37	-2.0	-104.82	333.54	3.42	-101.40
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=N[N-]N=N4)=C3)C=C2C1	REAL300020059246	1	43	-2.0	-102.57	382.38	5.37	-97.20
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC(C4=NN=N[N-]4)=C3)C=C2C1	REAL300020059246	1	43	-2.0	-102.55	382.45	5.36	-97.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C2=NC=CC=C12	REAL300020059247	0	38	-2.0	-115.78	340.74	4.00	-111.78
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C2=NC=CC=C12	REAL300020059247	1	38	-2.0	-115.74	340.81	4.00	-111.74
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059248	0	43	-2.0	-108.91	372.48	4.84	-104.07
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059248	1	43	-2.0	-108.88	372.54	4.83	-104.05
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=N[N-]N=N3)=C2)C=C(Cl)S1	REAL300020059249	0	30	-2.0	-92.00	308.29	3.22	-88.78
CC1=C(S(=O)(=O)[N-]C2=CC=CC(C3=NN=N[N-]3)=C2)C=C(Cl)S1	REAL300020059249	1	30	-2.0	-91.96	308.35	3.22	-88.74
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN=CS1	REAL300020059250	0	26	-2.0	-94.50	269.60	-0.04	-94.54
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN=CS1	REAL300020059250	1	26	-2.0	-94.51	269.66	-0.05	-94.56
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C2OCCO2)C=C1F	REAL300020059251	0	39	-2.0	-102.61	355.84	2.55	-100.06
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C2OCCO2)C=C1F	REAL300020059251	1	39	-2.0	-102.55	355.89	2.54	-100.01
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=C2CCCCN2N=C1	REAL300020059252	0	37	-2.0	-98.96	328.74	2.15	-96.81
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=C2CCCCN2N=C1	REAL300020059252	1	37	-2.0	-98.89	328.81	2.15	-96.74
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059253	1	36	-2.0	-97.98	322.40	2.09	-95.89
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059253	1	36	-2.0	-97.95	322.46	2.08	-95.87
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CS1	REAL300020059261	0	27	-2.0	-97.53	276.71	2.01	-95.52
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CS1	REAL300020059261	1	27	-2.0	-97.48	276.77	2.02	-95.46
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059263	0	32	-2.0	-111.62	303.34	4.38	-107.24
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059263	1	32	-2.0	-111.58	303.40	4.37	-107.21
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(F)C=C1F	REAL300020059266	1	30	-2.0	-95.58	296.69	3.13	-92.45
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(F)C=C1F	REAL300020059266	1	30	-2.0	-95.51	296.75	3.12	-92.39
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC=C1F	REAL300020059280	1	30	-2.0	-104.04	290.28	3.06	-100.98
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC=C1F	REAL300020059280	1	30	-2.0	-104.01	290.34	3.06	-100.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)S1	REAL300020059294	1	30	-2.0	-98.86	298.60	2.81	-96.05
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)S1	REAL300020059294	1	30	-2.0	-98.85	298.66	2.80	-96.05
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(Cl)=C1	REAL300020059295	1	32	-2.0	-88.08	326.14	4.24	-83.84
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(Cl)=C1	REAL300020059295	1	32	-2.0	-88.06	326.20	4.23	-83.83
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(Cl)C=CC=C1Cl	REAL300020059296	1	30	-2.0	-100.15	308.39	4.34	-95.81
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(Cl)C=CC=C1Cl	REAL300020059296	1	30	-2.0	-100.18	308.45	4.32	-95.86
COCCS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059297	1	30	-2.0	-92.34	281.69	-0.17	-92.51
COCCS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059297	1	30	-2.0	-92.37	281.75	-0.18	-92.55
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(F)=C1	REAL300020059300	0	32	-2.0	-90.74	318.50	3.74	-87.00
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(F)=C1	REAL300020059300	1	32	-2.0	-90.70	318.56	3.73	-86.97
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059301	0	39	-2.0	-109.73	365.72	1.47	-108.26
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059301	1	39	-2.0	-109.70	365.78	1.46	-108.24
O=[N+]([O-])C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059302	0	32	-2.0	-107.52	318.18	4.38	-103.14
O=[N+]([O-])C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059302	1	32	-2.0	-107.46	318.24	4.37	-103.09
CN1C=CC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL300020059303	0	30	-2.0	-105.10	289.62	0.55	-104.55
CN1C=CC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL300020059303	1	30	-2.0	-105.10	289.69	0.55	-104.55
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020059304	1	40	-2.0	-97.36	370.82	4.57	-92.79
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020059304	1	40	-2.0	-97.35	370.76	4.58	-92.77
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(C2=CC=CC=C2)N=C1	REAL300020059307	1	37	-2.0	-98.11	345.41	4.13	-93.98
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(C2=CC=CC=C2)N=C1	REAL300020059307	1	37	-2.0	-98.16	345.35	4.14	-94.02
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059308	0	33	-2.0	-97.97	332.84	2.68	-95.29
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059308	1	33	-2.0	-97.97	332.90	2.67	-95.30
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059309	1	36	-2.0	-104.01	345.04	3.71	-100.30
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059309	1	36	-2.0	-103.99	345.10	3.70	-100.29
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=CC(F)=C1	REAL300020059310	1	29	-2.0	-90.29	286.21	1.29	-89.00
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=CC(F)=C1	REAL300020059310	1	29	-2.0	-90.30	286.27	1.28	-89.02
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(F)=C1	REAL300020059312	0	34	-2.0	-102.10	322.77	2.59	-99.51
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(F)=C1	REAL300020059312	1	34	-2.0	-102.04	322.83	2.58	-99.46
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059314	1	39	-2.0	-110.28	356.94	4.68	-105.60
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC=C1OC(F)F	REAL300020059315	1	34	-2.0	-101.78	322.80	3.06	-98.72
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC2=C1OCCO2	REAL300020059318	1	36	-2.0	-105.14	327.92	2.64	-102.50
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(F)=C1F	REAL300020059320	1	30	-2.0	-101.93	296.55	3.13	-98.80
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(F)=C1F	REAL300020059320	1	30	-2.0	-101.94	296.61	3.12	-98.82
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059324	1	36	-2.0	-106.31	336.36	4.45	-101.86
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059324	1	36	-2.0	-106.27	336.43	4.44	-101.83
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300020059325	1	33	-2.0	-96.58	310.92	1.57	-95.01
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300020059325	1	33	-2.0	-96.60	310.86	1.58	-95.02
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059326	1	30	-2.0	-91.63	285.10	0.63	-91.00
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059326	1	30	-2.0	-91.66	285.04	0.64	-91.02
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)S1	REAL300020059329	0	36	-2.0	-103.05	346.39	1.25	-101.80
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)S1	REAL300020059329	1	36	-2.0	-103.02	346.45	1.25	-101.77
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(Cl)=C1F	REAL300020059334	1	30	-2.0	-100.94	306.44	3.57	-97.37
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(Cl)=C1F	REAL300020059334	1	30	-2.0	-100.96	306.51	3.56	-97.40
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059335	1	36	-2.0	-93.58	341.26	3.47	-90.11
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059335	1	36	-2.0	-93.58	341.32	3.46	-90.12
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059336	1	33	-2.0	-104.33	311.68	3.73	-100.60
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059336	1	33	-2.0	-104.33	311.74	3.72	-100.61
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(F)=C1	REAL300020059342	1	37	-2.0	-106.29	346.62	1.95	-104.34
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(F)=C1	REAL300020059342	1	37	-2.0	-106.30	346.68	1.94	-104.36
CN1C=NC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1Cl	REAL300020059344	0	30	-2.0	-107.16	303.27	2.52	-104.64
CN1C=NC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1Cl	REAL300020059344	1	30	-2.0	-107.14	303.33	2.51	-104.63
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1OC	REAL300020059363	1	38	-2.0	-100.02	348.99	2.27	-97.75
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1OC	REAL300020059363	1	38	-2.0	-100.07	349.05	2.26	-97.81
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(Cl)N=C2C=CC=CN21	REAL300020059366	1	33	-2.0	-103.31	324.37	3.92	-99.39
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(Cl)N=C2C=CC=CN21	REAL300020059366	1	33	-2.0	-103.32	324.31	3.93	-99.39
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300020059369	1	30	-2.0	-96.37	289.39	0.72	-95.65
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300020059369	1	30	-2.0	-96.42	289.33	0.72	-95.70
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059375	0	35	-2.0	-110.37	323.17	5.35	-105.02
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059375	1	35	-2.0	-110.35	323.23	5.34	-105.01
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(Cl)S1	REAL300020059377	0	27	-2.0	-91.87	293.76	2.63	-89.24
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(Cl)S1	REAL300020059377	1	27	-2.0	-91.85	293.82	2.62	-89.23
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(F)C=CC=C1F	REAL300020059383	0	30	-2.0	-106.80	293.28	3.29	-103.51
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(F)C=CC=C1F	REAL300020059383	1	30	-2.0	-106.82	293.35	3.28	-103.54
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(Cl)C=C1F	REAL300020059387	1	30	-2.0	-96.21	307.01	3.58	-92.63
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(Cl)C=C1F	REAL300020059387	1	30	-2.0	-96.21	307.07	3.58	-92.63
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059395	1	38	-2.0	-107.56	342.52	2.08	-105.48
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059395	1	38	-2.0	-107.51	342.58	2.08	-105.43
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059398	0	32	-2.0	-90.02	299.71	1.94	-88.08
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059398	1	32	-2.0	-90.03	299.77	1.93	-88.10
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(F)=CC=C1F	REAL300020059401	1	30	-2.0	-98.63	296.68	3.13	-95.50
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(F)=CC=C1F	REAL300020059401	1	30	-2.0	-98.60	296.74	3.12	-95.48
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(Cl)SC(Cl)=C1	REAL300020059402	1	27	-2.0	-90.71	307.63	3.16	-87.55
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(Cl)SC(Cl)=C1	REAL300020059402	1	27	-2.0	-90.69	307.69	3.16	-87.53
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)S1	REAL300020059409	0	33	-2.0	-92.70	332.66	2.77	-89.93
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)S1	REAL300020059409	1	33	-2.0	-92.71	332.72	2.76	-89.95
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059410	0	36	-2.0	-113.28	338.92	1.49	-111.79
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059410	1	36	-2.0	-113.31	338.98	1.48	-111.83
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C([N+](=O)[O-])=C1	REAL300020059413	0	36	-2.0	-107.01	332.79	3.68	-103.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C([N+](=O)[O-])=C1	REAL300020059413	1	36	-2.0	-107.04	332.85	3.67	-103.37
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1C	REAL300020059422	0	38	-2.0	-110.63	344.96	5.64	-104.99
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1C	REAL300020059422	1	38	-2.0	-110.62	345.02	5.63	-104.99
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(Cl)N=C2SC=CN21	REAL300020059426	0	30	-2.0	-98.99	316.91	3.11	-95.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(F)=C1	REAL300020059427	1	33	-2.0	-103.72	311.69	3.74	-99.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(F)=C1	REAL300020059427	1	33	-2.0	-103.65	311.75	3.73	-99.92
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300020059429	0	33	-2.0	-93.47	324.33	1.80	-91.67
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300020059429	1	33	-2.0	-93.44	324.39	1.79	-91.65
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(F)=CC=C1Cl	REAL300020059431	1	30	-2.0	-95.57	304.32	3.63	-91.94
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059435	0	36	-2.0	-108.90	343.86	0.54	-108.36
COC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059435	1	36	-2.0	-108.89	343.92	0.54	-108.35
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059439	1	42	-2.0	-98.43	362.89	3.65	-94.78
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059439	1	42	-2.0	-98.44	362.95	3.65	-94.79
CC1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)SC=C1	REAL300020059440	1	30	-2.0	-98.87	293.01	2.82	-96.05
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)SC=C1	REAL300020059440	1	30	-2.0	-98.88	293.07	2.82	-96.06
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1C	REAL300020059441	1	39	-2.0	-98.14	344.22	2.95	-95.19
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1C	REAL300020059441	1	39	-2.0	-98.11	344.28	2.95	-95.16
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(C4=NN=N[N-]4)=CC=C3F)C=N2)C=C1	REAL300020059444	1	40	-2.0	-97.70	366.81	4.81	-92.89
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC(C4=N[N-]N=N4)=CC=C3F)C=N2)C=C1	REAL300020059444	1	40	-2.0	-97.73	366.75	4.82	-92.91
N#CC1=C(Cl)C=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059446	1	31	-2.0	-103.77	318.28	3.71	-100.06
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059449	0	39	-2.0	-108.18	349.49	3.99	-104.19
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059449	1	39	-2.0	-108.14	349.55	3.98	-104.16
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059453	0	34	-2.0	-100.97	322.46	3.46	-97.51
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059453	1	34	-2.0	-100.97	322.52	3.45	-97.52
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(F)=C1	REAL300020059459	1	31	-2.0	-95.04	311.08	3.46	-91.58
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(F)=C1	REAL300020059459	1	31	-2.0	-95.03	311.14	3.45	-91.58
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300020059460	1	36	-2.0	-96.79	329.60	2.09	-94.70
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300020059460	1	36	-2.0	-96.76	329.54	2.10	-94.66
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300020059461	1	36	-2.0	-101.67	344.22	1.79	-99.88
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300020059461	1	36	-2.0	-101.69	344.16	1.80	-99.89
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CN=C1Cl	REAL300020059462	1	29	-2.0	-98.05	293.13	1.71	-96.34
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CN=C1Cl	REAL300020059462	1	29	-2.0	-98.09	293.07	1.71	-96.38
O=[N+]([O-])C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059463	0	32	-2.0	-101.51	322.58	4.92	-96.59
O=[N+]([O-])C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059463	1	32	-2.0	-101.54	322.64	4.91	-96.63
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300020059476	0	36	-2.0	-93.69	346.19	2.73	-90.96
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300020059476	1	36	-2.0	-93.65	346.25	2.72	-90.93
CC1=CC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C(F)C=C1F	REAL300020059488	1	33	-2.0	-95.86	316.99	3.76	-92.10
CC1=CC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C(F)C=C1F	REAL300020059488	1	33	-2.0	-95.81	317.05	3.76	-92.05
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)S1	REAL300020059490	0	32	-2.0	-96.41	310.01	1.58	-94.83
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)S1	REAL300020059490	1	32	-2.0	-96.34	310.07	1.57	-94.77
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059492	0	36	-2.0	-94.70	342.68	2.47	-92.23
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059492	1	36	-2.0	-94.62	342.74	2.46	-92.16
COC1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)SC=C1	REAL300020059494	0	31	-2.0	-107.03	306.95	1.30	-105.73
COC1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)SC=C1	REAL300020059494	1	31	-2.0	-107.01	307.01	1.29	-105.72
CC1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)OC2=CC=C(F)C=C21	REAL300020059495	0	36	-2.0	-99.27	341.57	4.11	-95.16
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)OC2=CC=C(F)C=C21	REAL300020059495	1	36	-2.0	-99.23	341.63	4.11	-95.12
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC2=CC=CC=C2O1	REAL300020059496	0	33	-2.0	-101.80	314.55	3.41	-98.39
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2=CC=CC=C2O1	REAL300020059496	1	33	-2.0	-101.76	314.61	3.41	-98.35
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1F	REAL300020059497	1	33	-2.0	-98.57	316.97	3.77	-94.80
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1F	REAL300020059497	1	33	-2.0	-98.58	317.03	3.77	-94.81
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059498	0	32	-2.0	-103.74	318.03	1.75	-101.99
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059498	1	32	-2.0	-103.69	318.09	1.75	-101.94
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)N=C1Cl	REAL300020059501	0	30	-2.0	-104.28	305.12	1.85	-102.43
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)N=C1Cl	REAL300020059501	1	30	-2.0	-104.28	305.18	1.84	-102.44
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC2=NON=C21	REAL300020059502	1	31	-2.0	-104.24	300.68	1.76	-102.48
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC2=NON=C21	REAL300020059502	1	31	-2.0	-104.27	300.62	1.77	-102.50
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1C	REAL300020059503	0	38	-2.0	-111.98	335.07	5.82	-106.16
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1C	REAL300020059503	1	38	-2.0	-111.95	335.13	5.81	-106.14
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059505	1	36	-2.0	-106.95	343.74	4.11	-102.84
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059505	1	36	-2.0	-106.97	343.80	4.10	-102.87
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC2=CC(F)=CC=C2S1	REAL300020059506	0	33	-2.0	-96.37	330.11	4.52	-91.85
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2=CC(F)=CC=C2S1	REAL300020059506	1	33	-2.0	-96.31	330.17	4.51	-91.80
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059509	0	36	-2.0	-107.74	330.39	3.40	-104.34
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059509	1	36	-2.0	-107.70	330.45	3.38	-104.32
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(=O)N(C)C1=O	REAL300020059512	0	36	-2.0	-103.12	331.37	2.01	-101.11
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(=O)N(C)C1=O	REAL300020059512	1	36	-2.0	-103.11	331.43	2.00	-101.11
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300020059513	1	35	-2.0	-90.97	335.52	1.84	-89.13
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300020059513	1	35	-2.0	-90.93	335.58	1.83	-89.10
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059514	0	33	-2.0	-97.60	324.67	1.75	-95.85
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059514	1	33	-2.0	-97.56	324.73	1.74	-95.82
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300020059516	1	37	-2.0	-94.94	344.59	0.62	-94.32
COCCN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300020059516	1	37	-2.0	-94.93	344.54	0.63	-94.30
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C([N+](=O)[O-])=N1	REAL300020059517	0	35	-2.0	-104.70	335.10	3.82	-100.88
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C([N+](=O)[O-])=N1	REAL300020059517	1	35	-2.0	-104.69	335.16	3.81	-100.88
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(C2CCOCC2)N=C1	REAL300020059519	1	41	-2.0	-96.69	362.00	1.56	-95.13
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(C2CCOCC2)N=C1	REAL300020059519	1	41	-2.0	-96.66	361.94	1.56	-95.10
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)S1	REAL300020059520	0	39	-2.0	-99.24	357.78	4.67	-94.57
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)S1	REAL300020059520	1	39	-2.0	-99.24	357.84	4.66	-94.58
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059521	0	36	-2.0	-107.59	332.27	3.77	-103.82
CCCN1C=NC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059521	1	36	-2.0	-107.56	332.33	3.76	-103.80
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(C2CCOC2)N=C1	REAL300020059522	1	38	-2.0	-94.90	342.88	0.76	-94.14
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(C2CCOC2)N=C1	REAL300020059522	1	38	-2.0	-94.92	342.82	0.76	-94.16
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1F	REAL300020059524	1	33	-2.0	-105.08	310.60	3.72	-101.36
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1F	REAL300020059524	1	33	-2.0	-105.07	310.66	3.71	-101.36
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN2CCCCC2=N1	REAL300020059526	0	37	-2.0	-110.90	330.73	3.04	-107.86
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN2CCCCC2=N1	REAL300020059526	1	37	-2.0	-110.89	330.79	3.05	-107.84
O=[N+]([O-])C1=CC=CC=C1CS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059529	1	35	-2.0	-107.94	328.63	4.93	-103.01
CC1=CC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C(C)O1	REAL300020059531	1	33	-2.0	-97.21	307.76	2.58	-94.63
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=C(C(=O)OC)O1	REAL300020059534	1	39	-2.0	-93.01	361.77	3.42	-89.59
CCC1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=C(C(=O)OC)O1	REAL300020059534	1	39	-2.0	-92.99	361.83	3.41	-89.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300020059537	0	30	-2.0	-98.93	289.38	1.82	-97.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300020059537	1	30	-2.0	-98.87	289.44	1.82	-97.05
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059538	1	33	-2.0	-99.90	317.00	3.37	-96.53
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059538	1	33	-2.0	-99.88	317.06	3.36	-96.52
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)N=C1C	REAL300020059543	0	36	-2.0	-109.91	330.52	2.81	-107.10
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)N=C1C	REAL300020059543	1	36	-2.0	-109.93	330.58	2.81	-107.12
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C(C)O1	REAL300020059544	1	36	-2.0	-93.30	342.65	2.58	-90.72
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C(C)O1	REAL300020059544	1	36	-2.0	-93.26	342.71	2.56	-90.70
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059546	1	42	-2.0	-99.20	364.30	3.57	-95.63
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059546	1	42	-2.0	-99.17	364.36	3.56	-95.61
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(F)C=CC=C1Cl	REAL300020059549	0	30	-2.0	-103.53	300.83	3.82	-99.71
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(F)C=CC=C1Cl	REAL300020059549	1	30	-2.0	-103.55	300.89	3.81	-99.74
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(Cl)=N1	REAL300020059550	1	32	-2.0	-98.57	314.68	2.32	-96.25
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(Cl)=N1	REAL300020059550	1	32	-2.0	-98.56	314.74	2.32	-96.24
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059551	1	35	-2.0	-97.64	333.83	3.19	-94.45
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)S1	REAL300020059553	0	32	-2.0	-95.20	314.80	1.59	-93.61
CCC1=NC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)S1	REAL300020059553	1	32	-2.0	-95.23	314.86	1.58	-93.65
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC(C4=N[N-]N=N4)=CC=C3F)C=C12	REAL300020059554	1	37	-2.0	-89.44	346.02	0.72	-88.72
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(Br)O1	REAL300020059555	0	27	-2.0	-93.04	289.16	1.74	-91.30
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(Br)O1	REAL300020059555	1	27	-2.0	-92.98	289.23	1.73	-91.25
COCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1C	REAL300020059556	1	40	-2.0	-98.78	355.36	0.62	-98.16
COCN1N=C(C)C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1C	REAL300020059556	1	40	-2.0	-98.80	355.42	0.61	-98.19
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059558	1	45	-2.0	-98.34	383.12	4.47	-93.87
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059558	1	45	-2.0	-98.32	383.18	4.46	-93.86
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)SC=N1	REAL300020059560	0	32	-2.0	-104.19	319.59	1.33	-102.86
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)SC=N1	REAL300020059560	1	32	-2.0	-104.25	319.64	1.31	-102.94
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059565	0	30	-2.0	-92.77	313.75	3.25	-89.52
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059565	1	30	-2.0	-92.75	313.81	3.24	-89.51
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300020059568	1	38	-2.0	-94.13	354.29	4.29	-89.84
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300020059568	1	38	-2.0	-94.13	354.23	4.30	-89.83
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(C)=CS1	REAL300020059569	1	36	-2.0	-108.49	340.00	4.18	-104.31
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(C)=CS1	REAL300020059569	1	36	-2.0	-108.51	340.07	4.18	-104.33
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059570	0	29	-2.0	-86.50	278.20	-0.53	-87.03
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059570	1	29	-2.0	-86.46	278.26	-0.53	-86.99
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(CC(F)(F)F)N=C1	REAL300020059574	1	33	-2.0	-95.95	328.80	2.07	-93.88
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(CC(F)(F)F)N=C1	REAL300020059574	1	33	-2.0	-95.93	328.74	2.08	-93.85
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059575	1	38	-2.0	-112.84	338.76	3.49	-109.35
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059575	1	38	-2.0	-112.81	338.82	3.48	-109.33
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=C2CCCN12	REAL300020059583	1	34	-2.0	-103.02	312.91	2.46	-100.56
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=C2CCCN12	REAL300020059583	1	34	-2.0	-102.96	312.97	2.45	-100.51
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(CC(F)F)N=C1	REAL300020059584	1	33	-2.0	-95.89	323.92	1.87	-94.02
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(CC(F)F)N=C1	REAL300020059584	1	33	-2.0	-95.93	323.86	1.88	-94.05
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=CS1	REAL300020059585	1	29	-2.0	-89.91	305.95	2.77	-87.14
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=CS1	REAL300020059585	1	29	-2.0	-89.90	306.01	2.77	-87.13
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059587	1	33	-2.0	-102.61	304.19	3.96	-98.65
CC1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059587	1	33	-2.0	-102.61	304.25	3.95	-98.66
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CNC2=CC=CC(F)=C12	REAL300020059588	1	34	-2.0	-112.65	323.18	3.09	-109.56
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CNC2=CC=CC(F)=C12	REAL300020059588	1	34	-2.0	-112.64	323.24	3.08	-109.56
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059589	1	43	-2.0	-98.35	374.99	4.48	-93.87
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059589	1	43	-2.0	-98.31	375.05	4.47	-93.84
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059593	1	36	-2.0	-97.32	335.19	4.29	-93.03
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059593	1	36	-2.0	-97.26	335.25	4.28	-92.98
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)S1	REAL300020059600	0	33	-2.0	-102.86	329.79	0.49	-102.37
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)S1	REAL300020059600	1	33	-2.0	-102.86	329.74	0.50	-102.36
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059609	1	34	-2.0	-102.17	329.77	3.32	-98.85
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC2=NSN=C21	REAL300020059611	1	31	-2.0	-106.01	309.62	1.32	-104.69
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC2=NSN=C21	REAL300020059611	1	31	-2.0	-106.06	309.55	1.33	-104.73
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300020059618	1	35	-2.0	-102.07	341.56	-1.39	-103.46
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300020059618	1	35	-2.0	-102.00	341.62	-1.40	-103.40
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(F)=C1	REAL300020059619	1	36	-2.0	-96.66	345.03	3.73	-92.93
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(F)=C1	REAL300020059619	1	36	-2.0	-96.70	345.09	3.72	-92.98
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(F)=C1	REAL300020059620	1	34	-2.0	-100.27	319.77	2.36	-97.91
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1[N+](=O)[O-]	REAL300020059621	0	38	-2.0	-110.72	345.56	6.18	-104.54
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1[N+](=O)[O-]	REAL300020059621	1	38	-2.0	-110.73	345.62	6.17	-104.56
O=S(=O)(CC1=C(F)C=CC=C1F)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059628	1	33	-2.0	-103.90	318.55	3.85	-100.05
O=S(=O)(CC1=C(F)C=CC=C1F)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059628	1	33	-2.0	-103.91	318.61	3.85	-100.06
CC(C(=O)N(C)C)S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059629	1	36	-2.0	-104.38	319.83	1.36	-103.02
CC(C(=O)N(C)C)S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059629	1	36	-2.0	-104.35	319.89	1.36	-102.99
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC2=CC=CC=C2OC1	REAL300020059630	0	36	-2.0	-98.63	330.49	3.52	-95.11
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2=CC=CC=C2OC1	REAL300020059630	1	36	-2.0	-98.58	330.55	3.51	-95.07
CC1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)N(C)N=C1	REAL300020059633	1	33	-2.0	-92.49	301.66	1.47	-91.02
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)N(C)N=C1	REAL300020059633	1	33	-2.0	-92.51	301.72	1.46	-91.05
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=COC=C1	REAL300020059637	1	27	-2.0	-95.98	267.31	0.90	-95.08
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=COC=C1	REAL300020059637	1	27	-2.0	-95.98	267.38	0.88	-95.10
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(Cl)=CC=C1F	REAL300020059639	1	30	-2.0	-98.69	307.01	3.58	-95.11
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(Cl)=CC=C1F	REAL300020059639	1	30	-2.0	-98.67	307.07	3.58	-95.09
COC(C)CS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059644	1	33	-2.0	-97.40	300.35	1.00	-96.40
COC(C)CS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059644	1	33	-2.0	-97.37	300.41	0.99	-96.38
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(Cl)C=CC(F)=C1F	REAL300020059645	0	30	-2.0	-99.89	307.14	3.88	-96.01
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(Cl)C=CC(F)=C1F	REAL300020059645	1	30	-2.0	-99.90	307.20	3.87	-96.03
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC2=C1OCO2	REAL300020059646	1	33	-2.0	-103.82	311.39	1.65	-102.17
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC2=C1OCO2	REAL300020059646	1	33	-2.0	-103.81	311.45	1.64	-102.17
O=S(=O)(CC1=C(F)C=CC=C1Cl)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059648	1	33	-2.0	-101.85	326.73	4.27	-97.58
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(Cl)C=CS1	REAL300020059650	0	27	-2.0	-97.43	292.76	2.47	-94.96
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(Cl)C=CS1	REAL300020059650	1	27	-2.0	-97.38	292.82	2.46	-94.92
CC1=CSC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059651	0	30	-2.0	-97.92	298.35	2.68	-95.24
CC1=CSC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059651	1	30	-2.0	-97.91	298.41	2.67	-95.24
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059652	1	36	-2.0	-123.65	329.19	0.60	-123.05
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059652	1	36	-2.0	-123.60	329.24	0.59	-123.01
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C2OC=CC2=CC=C1	REAL300020059653	1	33	-2.0	-108.32	312.71	3.33	-104.99
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C2OC=CC2=CC=C1	REAL300020059653	1	33	-2.0	-108.23	312.78	3.33	-104.90
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC2=CC(F)=CC=C2O1	REAL300020059656	0	33	-2.0	-95.79	320.96	3.48	-92.31
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2=CC(F)=CC=C2O1	REAL300020059656	1	33	-2.0	-95.83	321.02	3.48	-92.35
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(F)C=CS1	REAL300020059658	0	27	-2.0	-99.67	283.06	2.07	-97.60
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(F)C=CS1	REAL300020059658	1	27	-2.0	-99.67	283.12	2.06	-97.61
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059660	1	30	-2.0	-122.41	290.14	-1.06	-123.47
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059660	1	30	-2.0	-122.33	290.19	-1.06	-123.39
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(C(F)(F)F)=N1	REAL300020059661	0	33	-2.0	-98.73	323.42	1.85	-96.88
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(C(F)(F)F)=N1	REAL300020059661	1	33	-2.0	-98.75	323.48	1.84	-96.91
COC(CS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC=C1	REAL300020059664	0	40	-2.0	-96.17	355.42	3.59	-92.58
COC(CS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC=C1	REAL300020059664	1	40	-2.0	-96.18	355.48	3.58	-92.60
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C(F)(F)F)S1	REAL300020059666	0	30	-2.0	-90.48	317.35	3.20	-87.28
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C(F)(F)F)S1	REAL300020059666	1	30	-2.0	-90.50	317.41	3.20	-87.30
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(Cl)C2=NON=C21	REAL300020059667	1	31	-2.0	-97.40	317.73	2.30	-95.10
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(Cl)C2=NON=C21	REAL300020059667	1	31	-2.0	-97.37	317.67	2.31	-95.06
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C2OCCCN2N=C1	REAL300020059668	0	35	-2.0	-104.26	321.78	-0.06	-104.32
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C2OCCCN2N=C1	REAL300020059668	1	35	-2.0	-104.28	321.84	-0.07	-104.35
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)S1	REAL300020059670	1	33	-2.0	-100.10	314.90	3.63	-96.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)S1	REAL300020059670	1	33	-2.0	-100.07	314.96	3.62	-96.45
CC1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=NN1C	REAL300020059675	1	33	-2.0	-97.00	305.45	1.24	-95.76
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=NN1C	REAL300020059675	1	33	-2.0	-97.01	305.51	1.23	-95.78
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059680	1	33	-2.0	-97.41	308.17	1.36	-96.05
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059680	1	33	-2.0	-97.33	308.23	1.36	-95.97
O=C1NC2=CC(F)=C(S(=O)(=O)[N-]C3=CC(C4=N[N-]N=N4)=CC=C3F)C=C2O1	REAL300020059682	1	33	-2.0	-94.96	322.01	0.57	-94.39
O=C1NC2=CC(F)=C(S(=O)(=O)[N-]C3=CC(C4=NN=N[N-]4)=CC=C3F)C=C2O1	REAL300020059682	1	33	-2.0	-94.95	322.07	0.56	-94.39
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C2N=CSC2=CC=C1	REAL300020059684	1	32	-2.0	-109.95	315.98	2.43	-107.52
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C2N=CSC2=CC=C1	REAL300020059684	1	32	-2.0	-109.98	316.04	2.42	-107.56
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(F)C2=CC=CC=C2C=C1	REAL300020059686	1	36	-2.0	-107.62	335.30	5.33	-102.29
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(F)C2=CC=CC=C2C=C1	REAL300020059686	1	36	-2.0	-107.64	335.36	5.32	-102.32
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC2=C1OC(F)(F)O2	REAL300020059687	1	33	-2.0	-103.14	324.93	2.09	-101.05
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC2=C1OC(F)(F)O2	REAL300020059687	1	33	-2.0	-103.07	324.99	2.08	-100.99
CCC(CS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)OC	REAL300020059690	1	36	-2.0	-97.07	317.14	1.67	-95.40
CCC(CS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)OC	REAL300020059690	1	36	-2.0	-97.05	317.20	1.66	-95.39
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059691	1	43	-2.0	-98.54	373.48	4.45	-94.09
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059691	1	43	-2.0	-98.52	373.55	4.44	-94.08
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059692	1	42	-2.0	-97.99	356.30	2.90	-95.09
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059692	1	42	-2.0	-98.05	356.36	2.89	-95.16
O=S(=O)(CCOCC1CC1)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059693	1	37	-2.0	-92.85	335.22	2.38	-90.47
O=S(=O)(CCOCC1CC1)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059693	1	37	-2.0	-92.80	335.28	2.38	-90.42
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(F)=C1	REAL300020059695	0	33	-2.0	-105.88	314.69	3.97	-101.91
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(F)=C1	REAL300020059695	1	33	-2.0	-105.84	314.75	3.96	-101.88
CC(=O)NCC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)S1	REAL300020059698	0	37	-2.0	-99.23	359.40	1.17	-98.06
CC(=O)NCC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)S1	REAL300020059698	1	37	-2.0	-99.24	359.46	1.16	-98.08
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CSC=N1	REAL300020059700	0	26	-2.0	-99.66	271.09	-0.10	-99.76
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CSC=N1	REAL300020059700	1	26	-2.0	-99.65	271.15	-0.11	-99.76
COC(CS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC1	REAL300020059702	1	37	-2.0	-97.02	325.99	2.52	-94.50
COC(CS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC1	REAL300020059702	1	37	-2.0	-97.03	326.05	2.51	-94.52
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059703	1	34	-2.0	-102.31	319.45	2.86	-99.45
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059703	1	34	-2.0	-102.25	319.51	2.85	-99.40
COC(CS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCOCC1	REAL300020059706	1	44	-2.0	-99.41	366.65	1.67	-97.74
COC(CS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCOCC1	REAL300020059706	1	44	-2.0	-99.41	366.71	1.66	-97.75
COC(CS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C(C)C	REAL300020059711	1	39	-2.0	-99.74	331.03	2.54	-97.20
COC(CS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C(C)C	REAL300020059711	1	39	-2.0	-99.71	331.09	2.53	-97.18
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC2=C1OCCCO2	REAL300020059713	1	39	-2.0	-106.52	346.48	3.36	-103.16
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059718	1	40	-2.0	-98.76	357.55	2.00	-96.76
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059718	1	40	-2.0	-98.72	357.61	1.99	-96.73
COC(CS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCOC1	REAL300020059720	1	41	-2.0	-97.46	348.84	0.57	-96.89
COC(CS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCOC1	REAL300020059720	1	41	-2.0	-97.43	348.90	0.57	-96.86
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)N(C)N=C1	REAL300020059723	0	36	-2.0	-98.73	332.98	2.13	-96.60
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)N(C)N=C1	REAL300020059723	1	36	-2.0	-98.73	333.04	2.12	-96.61
COC(CS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(F)C=C1	REAL300020059724	0	40	-2.0	-95.86	365.99	4.17	-91.69
COC(CS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(F)C=C1	REAL300020059724	1	40	-2.0	-95.87	366.05	4.16	-91.71
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)N1C	REAL300020059725	1	33	-2.0	-97.08	304.15	1.98	-95.10
CC1=NC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)N1C	REAL300020059725	1	33	-2.0	-97.08	304.21	1.98	-95.10
COC(CS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCC1	REAL300020059727	1	43	-2.0	-96.90	361.54	3.39	-93.51
COC(CS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCC1	REAL300020059727	1	43	-2.0	-96.91	361.60	3.39	-93.52
COC(CS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCCC1	REAL300020059728	1	46	-2.0	-95.85	375.06	3.90	-91.95
COC(CS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCCC1	REAL300020059728	1	46	-2.0	-95.78	375.12	3.89	-91.89
CCC1=NC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=CN1CC1CC1	REAL300020059729	0	43	-2.0	-110.43	383.65	4.95	-105.48
CCC1=NC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=CN1CC1CC1	REAL300020059729	1	43	-2.0	-110.37	383.71	4.95	-105.42
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)O1	REAL300020059730	0	36	-2.0	-94.26	342.22	2.38	-91.88
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300020059730	1	36	-2.0	-94.25	342.28	2.37	-91.88
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=C(C2CC2)S1	REAL300020059731	0	33	-2.0	-96.12	324.53	2.51	-93.61
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=C(C2CC2)S1	REAL300020059731	1	33	-2.0	-96.12	324.59	2.51	-93.61
CN1N=CC(C2CC2)=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059734	1	37	-2.0	-95.32	331.24	2.91	-92.41
CN1N=CC(C2CC2)=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059734	1	37	-2.0	-95.32	331.30	2.90	-92.42
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059735	1	33	-2.0	-86.18	326.45	1.63	-84.55
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059735	1	33	-2.0	-86.18	326.39	1.64	-84.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(F)=C1F	REAL300020059737	1	33	-2.0	-102.10	316.91	3.78	-98.32
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(F)=C1F	REAL300020059737	1	33	-2.0	-102.03	316.97	3.77	-98.26
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL300020059739	0	32	-2.0	-111.82	313.14	1.90	-109.92
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL300020059739	1	32	-2.0	-111.79	313.20	1.89	-109.90
CC1=NSC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059741	0	29	-2.0	-92.01	293.28	1.30	-90.71
CC1=NSC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059741	1	29	-2.0	-91.96	293.34	1.29	-90.67
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(C)=N1	REAL300020059744	1	42	-2.0	-97.05	372.71	3.77	-93.28
CCCCN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(C)=N1	REAL300020059744	1	42	-2.0	-97.05	372.77	3.76	-93.29
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059745	1	34	-2.0	-98.03	317.56	3.15	-94.88
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059745	1	34	-2.0	-97.96	317.62	3.14	-94.82
CS(=O)(=NS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC=C1	REAL300020059750	1	37	-2.0	-120.61	346.96	1.72	-118.89
CS(=O)(=NS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC=C1	REAL300020059750	1	37	-2.0	-120.57	347.03	1.71	-118.86
CC1=CC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C([N+](=O)[O-])S1	REAL300020059751	0	32	-2.0	-105.44	319.36	4.20	-101.24
CC1=CC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C([N+](=O)[O-])S1	REAL300020059751	1	32	-2.0	-105.41	319.43	4.19	-101.22
CN1N=CC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1C(F)(F)F	REAL300020059752	0	33	-2.0	-93.88	317.93	1.64	-92.24
CN1N=CC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1C(F)(F)F	REAL300020059752	1	33	-2.0	-93.83	317.99	1.65	-92.18
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C2C=CC=CN2N=C1	REAL300020059753	1	33	-2.0	-106.03	314.44	2.72	-103.31
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C2C=CC=CN2N=C1	REAL300020059753	1	33	-2.0	-106.02	314.38	2.73	-103.29
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059755	1	40	-2.0	-96.40	345.74	3.13	-93.27
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(C(C)(C)C)=N1	REAL300020059756	1	42	-2.0	-96.17	353.21	3.61	-92.56
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(C(C)(C)C)=N1	REAL300020059756	1	42	-2.0	-96.15	353.15	3.62	-92.53
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(C2CCCC2)N=C1	REAL300020059757	1	40	-2.0	-96.99	352.25	3.36	-93.63
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(C2CCCC2)N=C1	REAL300020059757	1	40	-2.0	-96.96	352.19	3.36	-93.60
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059758	0	33	-2.0	-90.48	319.10	1.91	-88.57
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059758	1	33	-2.0	-90.49	319.16	1.90	-88.59
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059761	0	33	-2.0	-113.14	317.07	0.56	-112.58
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059761	1	33	-2.0	-113.17	317.13	0.55	-112.62
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059762	1	36	-2.0	-97.06	327.64	2.16	-94.90
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059762	1	36	-2.0	-97.04	327.70	2.15	-94.89
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059764	1	35	-2.0	-113.64	326.31	-1.05	-114.69
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059764	1	35	-2.0	-113.62	326.37	-1.06	-114.68
CC1=CN=C(Cl)C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059770	1	32	-2.0	-98.30	314.58	2.35	-95.95
CC1=CN=C(Cl)C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059770	1	32	-2.0	-98.34	314.52	2.36	-95.98
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=NS1	REAL300020059771	0	26	-2.0	-91.64	271.52	0.70	-90.94
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=NS1	REAL300020059771	1	26	-2.0	-91.60	271.58	0.70	-90.90
COC1=NSC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059772	0	30	-2.0	-89.37	304.03	-1.20	-90.57
COC1=NSC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059772	1	30	-2.0	-89.36	304.09	-1.21	-90.57
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)N(C)N=C1	REAL300020059773	0	39	-2.0	-99.11	354.84	3.06	-96.05
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)N(C)N=C1	REAL300020059773	1	39	-2.0	-99.08	354.90	3.05	-96.03
O=S(=O)(CC1(F)CC1)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059776	0	30	-2.0	-98.30	284.94	2.39	-95.91
O=S(=O)(CC1(F)CC1)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059776	1	30	-2.0	-98.23	285.00	2.38	-95.85
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=NN1C1=CC=CC=C1	REAL300020059777	0	36	-2.0	-93.77	331.09	2.94	-90.83
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=NN1C1=CC=CC=C1	REAL300020059777	1	36	-2.0	-93.71	331.15	2.93	-90.78
CC1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=C(C(N)=O)O1	REAL300020059778	1	34	-2.0	-97.00	324.32	-1.37	-98.37
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=C(C(N)=O)O1	REAL300020059778	1	34	-2.0	-96.94	324.38	-1.38	-98.32
O=S(=O)(N=S1(=O)CCCC1)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059779	1	34	-2.0	-124.66	315.93	0.29	-124.37
O=S(=O)(N=S1(=O)CCCC1)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059779	1	34	-2.0	-124.63	315.99	0.28	-124.35
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059780	1	39	-2.0	-123.11	348.34	1.03	-122.08
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059780	1	39	-2.0	-123.10	348.40	1.02	-122.08
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CSC=C1C(F)F	REAL300020059782	1	30	-2.0	-93.89	305.01	2.93	-90.96
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CSC=C1C(F)F	REAL300020059782	1	30	-2.0	-93.86	305.08	2.92	-90.94
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)N=N1	REAL300020059786	0	29	-2.0	-100.72	283.58	-0.66	-101.38
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)N=N1	REAL300020059786	1	29	-2.0	-100.73	283.64	-0.67	-101.40
COC1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059787	1	33	-2.0	-103.07	310.80	0.18	-102.89
COC1=NC=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059787	1	33	-2.0	-103.08	310.74	0.19	-102.89
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(C2CCC2)N=C1	REAL300020059788	1	37	-2.0	-96.99	334.74	2.69	-94.30
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(C2CCC2)N=C1	REAL300020059788	1	37	-2.0	-96.97	334.68	2.69	-94.28
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=NN1C1CCC1	REAL300020059789	1	37	-2.0	-94.36	330.07	2.99	-91.37
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=NN1C1CCC1	REAL300020059789	1	37	-2.0	-94.35	330.01	2.99	-91.36
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=NN1CC1CCC1	REAL300020059790	1	40	-2.0	-94.43	354.21	3.61	-90.82
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=NN1CC1CCC1	REAL300020059790	1	40	-2.0	-94.48	354.14	3.62	-90.86
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC(C4=N[N-]N=N4)=CC=C3F)C=NN2C1	REAL300020059791	0	41	-2.0	-104.29	359.83	1.04	-103.25
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC(C4=NN=N[N-]4)=CC=C3F)C=NN2C1	REAL300020059791	1	41	-2.0	-104.31	359.89	1.03	-103.28
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(Br)C=CO1	REAL300020059793	0	27	-2.0	-96.74	286.54	1.69	-95.05
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(Br)C=CO1	REAL300020059793	1	27	-2.0	-96.69	286.60	1.68	-95.01
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=C2CCCCN12	REAL300020059794	1	37	-2.0	-101.11	329.16	3.03	-98.08
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=C2CCCCN12	REAL300020059794	1	37	-2.0	-101.05	329.23	3.03	-98.02
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1F	REAL300020059796	1	34	-2.0	-96.58	325.98	2.44	-94.14
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1F	REAL300020059796	1	34	-2.0	-96.54	326.04	2.43	-94.11
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059797	1	40	-2.0	-103.86	359.21	4.40	-99.46
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059797	1	40	-2.0	-103.88	359.27	4.39	-99.49
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=C(C2OCCO2)S1	REAL300020059799	0	35	-2.0	-97.11	340.69	-0.22	-97.33
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=C(C2OCCO2)S1	REAL300020059799	1	35	-2.0	-97.06	340.75	-0.24	-97.30
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)S1	REAL300020059801	0	38	-2.0	-96.32	353.46	2.67	-93.65
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)S1	REAL300020059801	1	38	-2.0	-96.31	353.52	2.66	-93.65
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059803	0	34	-2.0	-101.91	321.26	3.65	-98.26
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059803	1	34	-2.0	-101.92	321.32	3.64	-98.28
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CSC=C1Cl	REAL300020059804	1	27	-2.0	-96.18	290.21	2.46	-93.72
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CSC=C1Cl	REAL300020059804	1	27	-2.0	-96.16	290.27	2.45	-93.71
CC1=NC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=CS1	REAL300020059806	0	29	-2.0	-101.52	293.35	0.57	-100.95
CC1=NC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=CS1	REAL300020059806	1	29	-2.0	-101.53	293.41	0.57	-100.96
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059807	0	35	-2.0	-113.32	325.47	2.62	-110.70
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059807	1	35	-2.0	-113.32	325.53	2.61	-110.71
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059808	0	32	-2.0	-87.43	298.72	0.34	-87.09
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059808	1	32	-2.0	-87.37	298.78	0.33	-87.04
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC2=CC=CC=C2S1	REAL300020059810	0	33	-2.0	-101.36	323.63	4.45	-96.91
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2=CC=CC=C2S1	REAL300020059810	1	33	-2.0	-101.37	323.69	4.44	-96.93
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059811	1	37	-2.0	-93.31	336.72	2.74	-90.57
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059811	1	37	-2.0	-93.33	336.79	2.73	-90.60
COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1OC	REAL300020059813	1	38	-2.0	-102.97	340.56	2.93	-100.04
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=COC2=CC=CC=C12	REAL300020059814	1	33	-2.0	-101.64	314.55	3.30	-98.34
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=COC2=CC=CC=C12	REAL300020059814	1	33	-2.0	-101.63	314.62	3.29	-98.34
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1OC	REAL300020059815	0	38	-2.0	-107.23	344.22	3.32	-103.91
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1OC	REAL300020059815	1	38	-2.0	-107.21	344.27	3.31	-103.90
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(C2CCCC2)=N1	REAL300020059816	1	43	-2.0	-100.98	373.57	3.92	-97.06
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(C2CCCC2)=N1	REAL300020059816	1	43	-2.0	-100.96	373.63	3.91	-97.05
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(C2CC2)=N1	REAL300020059817	1	37	-2.0	-99.81	340.08	2.94	-96.87
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(C2CC2)=N1	REAL300020059817	1	37	-2.0	-99.85	340.14	2.93	-96.92
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(F)C=CC2=C1OCO2	REAL300020059819	0	33	-2.0	-106.76	314.22	2.21	-104.55
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(F)C=CC2=C1OCO2	REAL300020059819	1	33	-2.0	-106.76	314.28	2.21	-104.55
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(C4=NN=N[N-]4)=CC=C3F)C=CC=C21	REAL300020059820	1	35	-2.0	-116.81	329.39	1.42	-115.39
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(C4=N[N-]N=N4)=CC=C3F)C=CC=C21	REAL300020059820	1	35	-2.0	-116.82	329.33	1.43	-115.39
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059821	0	30	-2.0	-96.52	302.07	-1.10	-97.62
COC1=NSC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059821	1	30	-2.0	-96.51	302.13	-1.11	-97.62
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300020059822	1	39	-2.0	-97.59	349.33	2.73	-94.86
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300020059822	1	39	-2.0	-97.56	349.28	2.74	-94.82
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(C2CCC2)=N1	REAL300020059824	1	40	-2.0	-100.33	356.34	3.42	-96.91
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(C2CCC2)=N1	REAL300020059824	1	40	-2.0	-100.32	356.40	3.41	-96.91
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(Cl)SC=C1	REAL300020059825	1	27	-2.0	-95.78	290.62	2.55	-93.23
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(Cl)SC=C1	REAL300020059825	1	27	-2.0	-95.78	290.68	2.54	-93.24
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(CC2CCC2)N=C1	REAL300020059826	1	40	-2.0	-97.34	358.84	3.67	-93.67
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(CC2CCC2)N=C1	REAL300020059826	1	40	-2.0	-97.35	358.78	3.68	-93.67
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(C2CC2)C=CS1	REAL300020059827	0	34	-2.0	-103.28	321.79	4.19	-99.09
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(C2CC2)C=CS1	REAL300020059827	1	34	-2.0	-103.26	321.85	4.19	-99.07
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059829	1	36	-2.0	-91.25	341.12	1.35	-89.90
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059829	1	36	-2.0	-91.29	341.06	1.36	-89.93
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059830	1	37	-2.0	-97.23	330.47	2.54	-94.69
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059832	1	39	-2.0	-91.52	331.86	2.90	-88.62
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059832	1	39	-2.0	-91.54	331.80	2.91	-88.63
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(C(F)(F)F)SC=C1	REAL300020059834	1	30	-2.0	-97.56	306.35	3.39	-94.17
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(C(F)(F)F)SC=C1	REAL300020059834	1	30	-2.0	-97.46	306.40	3.39	-94.07
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059836	1	33	-2.0	-92.63	306.96	1.24	-91.39
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059836	1	33	-2.0	-92.57	307.02	1.23	-91.34
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CSC=C1C(F)(F)F	REAL300020059842	1	30	-2.0	-98.60	304.78	3.25	-95.35
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CSC=C1C(F)(F)F	REAL300020059842	1	30	-2.0	-98.54	304.84	3.24	-95.30
COC1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=CS1	REAL300020059844	1	31	-2.0	-102.68	307.05	1.45	-101.23
COC1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=CS1	REAL300020059844	1	31	-2.0	-102.71	307.11	1.45	-101.26
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059845	0	36	-2.0	-94.44	349.76	3.33	-91.11
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059845	1	36	-2.0	-94.48	349.82	3.33	-91.15
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C2CC2)C=C1F	REAL300020059846	1	37	-2.0	-102.56	339.50	5.17	-97.39
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C2CC2)C=C1F	REAL300020059846	1	37	-2.0	-102.53	339.56	5.16	-97.37
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=NN1C1CCCC1	REAL300020059847	1	40	-2.0	-94.53	350.15	3.60	-90.93
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=NN1C1CCCC1	REAL300020059847	1	40	-2.0	-94.53	350.09	3.61	-90.92
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059848	1	39	-2.0	-93.79	344.80	2.90	-90.89
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059848	1	39	-2.0	-93.80	344.74	2.91	-90.89
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C(F)(F)F)O1	REAL300020059849	0	30	-2.0	-91.75	308.63	2.23	-89.52
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C(F)(F)F)O1	REAL300020059849	1	30	-2.0	-91.79	308.70	2.22	-89.57
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059850	1	34	-2.0	-94.94	325.73	2.92	-92.02
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)S1	REAL300020059853	0	31	-2.0	-95.92	308.57	1.47	-94.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)S1	REAL300020059853	1	31	-2.0	-95.90	308.63	1.46	-94.44
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(CCF)N=C1	REAL300020059855	1	33	-2.0	-94.06	317.51	1.71	-92.35
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(CCF)N=C1	REAL300020059855	1	33	-2.0	-94.07	317.45	1.71	-92.36
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059857	1	40	-2.0	-95.24	364.52	4.21	-91.03
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059857	1	40	-2.0	-95.23	364.46	4.21	-91.02
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN(C2CCCCC2)N=C1	REAL300020059858	1	43	-2.0	-96.56	371.23	3.96	-92.60
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN(C2CCCCC2)N=C1	REAL300020059858	1	43	-2.0	-96.58	371.17	3.97	-92.61
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1Cl	REAL300020059861	0	33	-2.0	-94.23	326.44	1.94	-92.29
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1Cl	REAL300020059861	1	33	-2.0	-94.20	326.51	1.93	-92.27
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(Cl)O1	REAL300020059862	0	27	-2.0	-92.63	284.53	1.62	-91.01
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(Cl)O1	REAL300020059862	1	27	-2.0	-92.67	284.59	1.62	-91.05
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(C2=CC=CC=C2)=N1	REAL300020059865	1	40	-2.0	-102.31	362.26	4.41	-97.90
CN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(C2=CC=CC=C2)=N1	REAL300020059865	1	40	-2.0	-102.36	362.20	4.42	-97.94
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C2CC2)S1	REAL300020059867	0	34	-2.0	-99.25	328.60	4.33	-94.92
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C2CC2)S1	REAL300020059867	1	34	-2.0	-99.23	328.66	4.32	-94.91
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=C2C=CC=CN12	REAL300020059868	1	33	-2.0	-102.36	310.35	3.41	-98.95
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=C2C=CC=CN12	REAL300020059868	1	33	-2.0	-102.37	310.29	3.42	-98.95
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL300020059870	0	32	-2.0	-96.84	305.49	-0.12	-96.96
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL300020059870	1	32	-2.0	-96.80	305.55	-0.13	-96.93
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=NN1	REAL300020059873	0	36	-2.0	-96.95	345.15	0.81	-96.14
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=NN1	REAL300020059873	1	36	-2.0	-96.94	345.21	0.80	-96.14
COC1=CSC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1OC	REAL300020059874	0	35	-2.0	-100.04	337.78	1.02	-99.02
COC1=CSC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1OC	REAL300020059874	1	35	-2.0	-100.01	337.84	1.02	-98.99
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059876	1	36	-2.0	-97.39	328.25	3.01	-94.38
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059876	1	36	-2.0	-97.40	328.19	3.02	-94.38
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(Cl)=C(Cl)S1	REAL300020059878	0	27	-2.0	-88.00	309.85	3.12	-84.88
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(Cl)=C(Cl)S1	REAL300020059878	1	27	-2.0	-87.93	309.92	3.11	-84.82
CN1N=CC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1Cl	REAL300020059879	0	30	-2.0	-93.86	304.63	1.07	-92.79
CN1N=CC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1Cl	REAL300020059879	1	30	-2.0	-93.90	304.70	1.06	-92.84
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC(C4=NN=N[N-]4)=CC=C3F)C2=N1	REAL300020059883	1	35	-2.0	-108.99	328.45	1.38	-107.61
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC(C4=N[N-]N=N4)=CC=C3F)C2=N1	REAL300020059883	1	35	-2.0	-108.99	328.39	1.39	-107.60
CCOCCS(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059884	1	33	-2.0	-92.59	303.55	0.80	-91.79
CCOCCS(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059884	1	33	-2.0	-92.62	303.61	0.79	-91.83
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C(C2CC2)=N1	REAL300020059887	1	40	-2.0	-100.49	363.45	3.75	-96.74
CCN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C(C2CC2)=N1	REAL300020059887	1	40	-2.0	-100.47	363.51	3.74	-96.73
CC1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C2=NSN=C2C=C1	REAL300020059888	1	34	-2.0	-104.90	323.02	2.35	-102.55
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C2=NSN=C2C=C1	REAL300020059888	1	34	-2.0	-104.93	323.08	2.34	-102.59
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059890	1	43	-2.0	-95.86	371.55	4.22	-91.64
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059890	1	43	-2.0	-95.77	371.61	4.21	-91.56
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(Cl)OC=C1	REAL300020059891	0	27	-2.0	-95.31	283.57	1.51	-93.80
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(Cl)OC=C1	REAL300020059891	1	27	-2.0	-95.23	283.63	1.51	-93.72
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(Cl)=CS1	REAL300020059892	0	27	-2.0	-92.62	293.59	2.52	-90.10
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(Cl)=CS1	REAL300020059892	1	27	-2.0	-92.62	293.65	2.53	-90.09
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059893	1	38	-2.0	-94.57	337.06	0.76	-93.81
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059893	1	38	-2.0	-94.55	337.12	0.75	-93.80
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059896	1	36	-2.0	-103.38	332.26	0.81	-102.57
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059896	1	36	-2.0	-103.36	332.20	0.82	-102.54
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059897	1	33	-2.0	-97.07	327.56	0.66	-96.41
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059897	1	33	-2.0	-97.07	327.50	0.67	-96.40
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300020059899	1	39	-2.0	-97.15	352.24	3.12	-94.03
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300020059899	1	39	-2.0	-97.19	352.18	3.12	-94.07
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059900	1	39	-2.0	-97.80	348.36	2.74	-95.06
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059900	1	39	-2.0	-97.80	348.42	2.73	-95.07
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CSC(C(F)(F)F)=N1	REAL300020059901	0	29	-2.0	-97.60	312.43	0.96	-96.64
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CSC(C(F)(F)F)=N1	REAL300020059901	1	29	-2.0	-97.63	312.49	0.96	-96.67
N#CC1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=CO1	REAL300020059902	0	28	-2.0	-98.80	287.76	1.41	-97.39
N#CC1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=CO1	REAL300020059902	1	28	-2.0	-98.77	287.82	1.40	-97.37
N#CC1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)SC=C1	REAL300020059903	0	28	-2.0	-100.67	294.27	2.38	-98.29
N#CC1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)SC=C1	REAL300020059903	1	28	-2.0	-100.69	294.33	2.37	-98.32
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059904	1	36	-2.0	-93.23	326.54	2.26	-90.97
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059904	1	36	-2.0	-93.21	326.48	2.27	-90.94
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1C	REAL300020059905	1	38	-2.0	-91.51	351.59	2.38	-89.13
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1C	REAL300020059905	1	38	-2.0	-91.46	351.65	2.37	-89.09
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059906	0	33	-2.0	-103.98	326.66	4.79	-99.19
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059906	1	33	-2.0	-103.93	326.72	4.79	-99.14
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=NN1CC1CC1	REAL300020059907	1	37	-2.0	-92.60	337.11	3.13	-89.47
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=NN1CC1CC1	REAL300020059907	1	37	-2.0	-92.60	337.05	3.14	-89.46
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=NN1C1=CC=CC=C1	REAL300020059908	1	37	-2.0	-99.06	336.79	4.23	-94.83
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=NN1C1=CC=CC=C1	REAL300020059908	1	37	-2.0	-99.07	336.73	4.24	-94.83
COC(=O)C1=NOC(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300020059909	0	32	-2.0	-87.88	318.85	1.02	-86.86
COC(=O)C1=NOC(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300020059909	1	32	-2.0	-87.87	318.91	1.01	-86.86
CCC(C#N)S(=O)(=O)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059910	0	30	-2.0	-93.13	284.19	2.02	-91.11
CCC(C#N)S(=O)(=O)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059910	1	30	-2.0	-93.11	284.25	2.01	-91.10
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1(C(F)F)CC1	REAL300020059913	0	30	-2.0	-101.95	286.30	2.73	-99.22
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1(C(F)F)CC1	REAL300020059913	1	30	-2.0	-101.97	286.37	2.72	-99.25
CC1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)N=CN1	REAL300020059916	0	30	-2.0	-108.11	283.71	1.08	-107.03
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)N=CN1	REAL300020059916	1	30	-2.0	-108.08	283.77	1.08	-107.00
CC1=C(S(=O)(=O)[N-]C2=CC(C3=N[N-]N=N3)=CC=C2F)C=NN1C(C)C	REAL300020059917	1	39	-2.0	-97.83	349.27	2.76	-95.07
CC1=C(S(=O)(=O)[N-]C2=CC(C3=NN=N[N-]3)=CC=C2F)C=NN1C(C)C	REAL300020059917	1	39	-2.0	-97.81	349.33	2.75	-95.06
O=S(=O)(CC1=NOC(C2CC2)=N1)[N-]C1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020059921	0	35	-2.0	-100.44	331.13	0.78	-99.66
O=S(=O)(CC1=NOC(C2CC2)=N1)[N-]C1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020059921	1	35	-2.0	-100.45	331.19	0.77	-99.68
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(C(F)F)=CC=C1F	REAL300020059924	1	33	-2.0	-108.03	324.44	4.00	-104.03
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(C(F)F)=CC=C1F	REAL300020059924	1	33	-2.0	-107.99	324.50	3.99	-104.00
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NN(C2CC2(F)F)C=C1	REAL300020059925	0	34	-2.0	-110.54	332.84	2.28	-108.26
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NN(C2CC2(F)F)C=C1	REAL300020059925	1	34	-2.0	-110.56	332.90	2.27	-108.29
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CN=CS1	REAL300020059931	0	26	-2.0	-94.09	271.36	0.13	-93.96
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CN=CS1	REAL300020059931	1	26	-2.0	-94.01	271.43	0.12	-93.89
O=S(=O)([N-]C1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C2CCCCN2N=C1	REAL300020059932	1	37	-2.0	-98.96	330.51	2.34	-96.62
O=S(=O)([N-]C1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C2CCCCN2N=C1	REAL300020059932	1	37	-2.0	-98.86	330.57	2.33	-96.53
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020059933	1	30	-2.0	-95.60	304.30	3.46	-92.14
O=S(=O)([N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020059933	1	30	-2.0	-95.55	304.36	3.45	-92.10
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CS1	REAL300020059934	0	27	-2.0	-93.51	296.24	2.46	-91.05
O=S(=O)([N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CS1	REAL300020059934	1	27	-2.0	-93.51	296.30	2.45	-91.06
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1	REAL300020059936	1	30	-2.0	-88.71	310.71	3.52	-85.19
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(F)=C1	REAL300020059937	1	30	-2.0	-92.43	310.71	3.52	-88.91
O=S(=O)([N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(F)=C1	REAL300020059937	1	30	-2.0	-92.38	310.77	3.52	-88.86
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059938	1	33	-2.0	-96.28	325.71	4.12	-92.16
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059938	1	33	-2.0	-96.22	325.77	4.11	-92.11
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CC=C1F	REAL300020059939	0	30	-2.0	-99.77	309.78	3.52	-96.25
O=S(=O)([N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CC=C1F	REAL300020059939	1	30	-2.0	-99.73	309.84	3.51	-96.22
COCCS(=O)(=O)[N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020059940	1	30	-2.0	-89.17	301.20	0.27	-88.90
CN1C=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300020059941	0	30	-2.0	-100.84	309.15	0.99	-99.85
CN1C=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300020059941	1	30	-2.0	-100.83	309.21	0.98	-99.85
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN=CC(F)=C1	REAL300020059942	0	29	-2.0	-86.71	305.71	1.73	-84.98
O=S(=O)([N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN=CC(F)=C1	REAL300020059942	1	29	-2.0	-86.68	305.77	1.72	-84.96
CCN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020059943	0	33	-2.0	-93.02	330.39	2.02	-91.00
CCN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020059943	1	33	-2.0	-93.01	330.45	2.02	-90.99
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020059944	0	30	-2.0	-87.97	304.55	1.08	-86.89
CN1N=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020059944	1	30	-2.0	-87.95	304.61	1.08	-86.87
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020059945	1	33	-2.0	-95.59	319.37	4.23	-91.36
CN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020059947	0	30	-2.0	-92.79	308.85	1.17	-91.62
CN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020059947	1	30	-2.0	-92.73	308.91	1.16	-91.57
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020059948	0	32	-2.0	-86.48	319.23	2.38	-84.10
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020059948	1	32	-2.0	-86.46	319.29	2.37	-84.09
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=CN=C1	REAL300020059949	0	29	-2.0	-92.05	299.29	1.67	-90.38
O=S(=O)([N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=CN=C1	REAL300020059949	1	29	-2.0	-92.05	299.35	1.67	-90.38
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C(C)O1	REAL300020059952	0	33	-2.0	-93.13	327.28	3.03	-90.10
CC1=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C(C)O1	REAL300020059952	1	33	-2.0	-93.12	327.34	3.03	-90.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)O1	REAL300020059953	0	30	-2.0	-94.78	308.90	2.27	-92.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300020059953	1	30	-2.0	-94.78	308.97	2.26	-92.52
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020059957	0	29	-2.0	-84.56	298.72	-0.13	-84.69
CN1N=NC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020059957	1	29	-2.0	-84.51	298.78	-0.14	-84.65
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300020059959	0	32	-2.0	-92.77	320.90	2.28	-90.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300020059959	1	32	-2.0	-92.77	320.96	2.27	-90.50
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N(C)N=C1	REAL300020059960	0	33	-2.0	-88.87	321.19	1.93	-86.94
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N(C)N=C1	REAL300020059960	1	33	-2.0	-88.83	321.25	1.92	-86.91
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CSC=C1	REAL300020059962	0	27	-2.0	-91.54	295.41	2.36	-89.18
O=S(=O)([N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CSC=C1	REAL300020059962	1	27	-2.0	-91.51	295.47	2.35	-89.16
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=COC=C1	REAL300020059963	0	27	-2.0	-92.14	286.84	1.34	-90.80
O=S(=O)([N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=COC=C1	REAL300020059963	1	27	-2.0	-92.14	286.90	1.33	-90.81
COC(C)CS(=O)(=O)[N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020059964	1	33	-2.0	-93.96	319.85	1.43	-92.53
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020059965	0	30	-2.0	-117.87	309.66	-0.61	-118.48
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020059965	1	30	-2.0	-117.88	309.72	-0.63	-118.51
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=NN1C	REAL300020059966	0	33	-2.0	-93.19	324.97	1.68	-91.51
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=NN1C	REAL300020059966	1	33	-2.0	-93.18	325.03	1.67	-91.51
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020059969	0	33	-2.0	-93.65	327.68	1.82	-91.83
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020059969	1	33	-2.0	-93.66	327.74	1.81	-91.85
CCC(CS(=O)(=O)[N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)OC	REAL300020059970	1	36	-2.0	-93.17	339.43	1.99	-91.18
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CSC=N1	REAL300020059971	0	26	-2.0	-95.70	290.61	0.34	-95.36
O=S(=O)([N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CSC=N1	REAL300020059971	1	26	-2.0	-95.64	290.67	0.33	-95.31
CC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N1C	REAL300020059972	0	33	-2.0	-92.88	323.46	2.51	-90.37
CC1=NC=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N1C	REAL300020059972	1	33	-2.0	-92.88	323.52	2.50	-90.38
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=NS1	REAL300020059973	0	26	-2.0	-88.02	291.05	1.16	-86.86
O=S(=O)([N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=NS1	REAL300020059973	1	26	-2.0	-88.01	291.11	1.15	-86.86
O=S(=O)(CC1(F)CC1)[N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020059975	0	30	-2.0	-94.74	304.44	2.81	-91.93
O=S(=O)(CC1(F)CC1)[N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020059975	1	30	-2.0	-94.76	304.50	2.80	-91.96
CN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=N1	REAL300020059976	0	29	-2.0	-96.92	303.10	-0.22	-97.14
CN1C=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=N1	REAL300020059976	1	29	-2.0	-96.86	303.16	-0.23	-97.09
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020059977	0	32	-2.0	-83.86	319.54	0.79	-83.07
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020059977	1	32	-2.0	-83.80	319.60	0.78	-83.02
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059978	0	33	-2.0	-88.85	326.48	1.67	-87.18
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059978	1	33	-2.0	-88.80	326.54	1.66	-87.14
CC1=CN=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020059979	0	32	-2.0	-92.62	320.75	2.32	-90.30
CC1=CN=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020059979	1	32	-2.0	-92.62	320.81	2.31	-90.31
CCN1N=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=N1	REAL300020059980	0	32	-2.0	-92.85	325.02	0.32	-92.53
CCN1N=CC(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=N1	REAL300020059980	1	32	-2.0	-92.85	325.08	0.32	-92.53
CCOCCS(=O)(=O)[N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020059981	1	33	-2.0	-89.39	323.05	1.23	-88.16
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=NC=C1	REAL300020059982	1	29	-2.0	-89.39	299.47	1.67	-87.72
O=S(=O)([N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=NC=C1	REAL300020059982	1	29	-2.0	-89.37	299.53	1.66	-87.71
N#CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C=CO1	REAL300020059983	0	28	-2.0	-95.19	307.26	1.87	-93.32
N#CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=CO1	REAL300020059983	1	28	-2.0	-95.16	307.33	1.86	-93.30
CCC(C#N)S(=O)(=O)[N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020059985	0	30	-2.0	-90.63	304.09	2.42	-88.21
CCC(C#N)S(=O)(=O)[N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020059985	1	30	-2.0	-90.56	304.14	2.42	-88.14
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1(C(F)F)CC1	REAL300020059988	0	30	-2.0	-98.58	305.80	3.15	-95.43
O=S(=O)([N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1(C(F)F)CC1	REAL300020059988	1	30	-2.0	-98.55	305.86	3.14	-95.41
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=N[N-]N=N3)=C2)N=CN1	REAL300020059990	0	30	-2.0	-102.19	303.42	1.56	-100.63
CC1=C(S(=O)(=O)[N-]C2=CC(Br)=CC(C3=NN=N[N-]3)=C2)N=CN1	REAL300020059990	1	30	-2.0	-102.18	303.48	1.55	-100.63
O=S(=O)([N-]C1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CN=CS1	REAL300020059991	0	26	-2.0	-90.31	290.88	0.57	-89.74
O=S(=O)([N-]C1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN=CS1	REAL300020059991	1	26	-2.0	-90.33	290.95	0.56	-89.77
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CNCCO1	REAL300020060166	1	38	-2.0	-91.87	327.69	0.73	-91.14
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CNCCO1	REAL300020060166	1	38	-2.0	-91.83	327.76	0.72	-91.11
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020060713	0	42	-2.0	-97.89	359.55	6.49	-91.40
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020060713	1	42	-2.0	-97.83	359.61	6.48	-91.35
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CNCCO1	REAL300020060863	1	35	-2.0	-93.41	303.63	0.59	-92.82
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CNCCO1	REAL300020060863	1	35	-2.0	-93.45	303.66	0.58	-92.87
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020061312	0	39	-2.0	-102.82	334.13	6.40	-96.42
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020061312	1	39	-2.0	-102.79	334.17	6.39	-96.40
CCCC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020061605	0	41	-2.0	-103.70	341.50	5.08	-98.62
CCCC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020061605	1	41	-2.0	-103.70	341.56	5.09	-98.61
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CNCCO1	REAL300020061798	1	36	-2.0	-97.43	310.14	-1.28	-98.71
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300020062366	0	40	-2.0	-104.75	340.61	4.55	-100.20
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CNCCO1	REAL300020062588	1	36	-2.0	-86.91	308.11	-1.31	-88.22
O=C([O-])C1CC12CCC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300020063156	0	40	-2.0	-98.26	338.31	4.48	-93.78
O=C([O-])C1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020063193	0	33	-2.0	-98.96	301.14	3.62	-95.34
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020063194	0	33	-2.0	-88.22	301.39	3.61	-84.61
O=C([O-])C1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1C1=CC=CC=C1	REAL300020063195	0	42	-2.0	-91.13	371.20	4.32	-86.81
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C1	REAL300020063196	0	32	-2.0	-81.96	298.80	1.89	-80.07
CC(C)C(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063197	0	35	-2.0	-92.11	302.38	2.64	-89.47
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020063198	0	36	-2.0	-105.30	309.05	3.21	-102.09
O=C([O-])CCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063199	0	35	-2.0	-94.92	309.71	3.00	-91.92
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL300020063200	0	33	-2.0	-86.56	288.15	2.59	-83.97
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063201	0	33	-2.0	-98.97	307.47	1.07	-97.90
O=C([N-]CCN1C=C(CCC2=N[N-]N=N2)N=N1)C(F)(F)F	REAL300020064214	0	30	-2.0	-81.25	293.17	-1.22	-82.47
O=C([N-]CCN1C=C(CCC2=NN=N[N-]2)N=N1)C(F)(F)F	REAL300020064214	1	30	-2.0	-81.28	293.23	-1.20	-82.48
CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020064426	0	50	-2.0	-90.78	399.24	5.27	-85.51
CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020064426	1	50	-2.0	-90.80	399.29	5.28	-85.52
CC(C)C1=NN=C([N-]C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL300020064550	0	38	-2.0	-96.10	351.45	1.40	-94.70
CC(C)C1=NN=C([N-]C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL300020064550	1	38	-2.0	-96.05	351.51	1.41	-94.64
CC(C)(C)C1=NN=C([N-]C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL300020064551	0	41	-2.0	-97.29	369.74	1.90	-95.39
CC(C)(C)C1=NN=C([N-]C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL300020064551	1	41	-2.0	-97.26	369.69	1.88	-95.38
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)[N-]C1=NC=CS1	REAL300020064645	1	30	-2.0	-91.14	292.27	0.52	-90.62
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)[N-]C1=NC=CS1	REAL300020064645	1	30	-2.0	-91.13	292.21	0.50	-90.63
CC1=CC=C(C2=CSC([N-]C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)=N2)C=C1	REAL300020064719	1	43	-2.0	-91.36	390.19	4.51	-86.85
CC1=CC=C(C2=CSC([N-]C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)=N2)C=C1	REAL300020064719	1	43	-2.0	-91.40	390.13	4.49	-86.91
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1	REAL300020064720	1	40	-2.0	-87.36	375.19	3.90	-83.46
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1	REAL300020064720	1	40	-2.0	-87.34	375.13	3.88	-83.46
CCOC1=CC=C2N=C([N-]C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)SC2=C1	REAL300020064721	1	43	-2.0	-94.41	391.01	3.14	-91.27
CCOC1=CC=C2N=C([N-]C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)SC2=C1	REAL300020064721	1	43	-2.0	-94.40	390.96	3.13	-91.27
CC(C(=O)[N-]C1=NC2=CC=CC=C2S1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020064766	1	39	-2.0	-89.53	357.15	3.38	-86.15
CC(C(=O)[N-]C1=NC2=CC=CC=C2S1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020064766	1	39	-2.0	-89.56	357.09	3.36	-86.20
O=[N+]([O-])C1=CC=C([O-])C=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020064850	0	33	-2.0	-84.43	302.16	3.06	-81.37
O=[N+]([O-])C1=CC=C([O-])C=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020064850	1	33	-2.0	-84.41	302.22	3.07	-81.34
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)[N-]C1=NC2=CC=C(F)C=C2S1	REAL300020064913	1	36	-2.0	-89.93	346.06	3.01	-86.92
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)[N-]C1=NC2=CC=C(F)C=C2S1	REAL300020064913	1	36	-2.0	-89.93	346.00	3.00	-86.93
COC(=O)CC1=CSC([N-]C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL300020064935	1	39	-2.0	-95.00	366.36	1.56	-93.44
COC(=O)CC1=CSC([N-]C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL300020064935	1	39	-2.0	-94.99	366.42	1.58	-93.41
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)[N-]C1=NN=CS1	REAL300020065215	0	29	-2.0	-93.65	287.22	-0.66	-94.31
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)[N-]C1=NN=CS1	REAL300020065215	1	29	-2.0	-93.63	287.16	-0.67	-94.30
O=C1C=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C2=CC(Cl)=C([O-])C=C2O1	REAL300020065228	0	36	-2.0	-89.36	344.30	4.47	-84.89
O=C1C=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C2=CC(Cl)=C([O-])C=C2O1	REAL300020065228	1	36	-2.0	-89.40	344.36	4.49	-84.91
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)[N-]C1=NC(C2=CC=CS2)=CS1	REAL300020065231	1	37	-2.0	-89.84	361.63	2.90	-86.94
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)[N-]C1=NC(C2=CC=CS2)=CS1	REAL300020065231	1	37	-2.0	-89.82	361.57	2.88	-86.94
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)[N-]C1=NC(C2=CC=CO2)=CS1	REAL300020065265	1	37	-2.0	-90.33	353.09	1.91	-88.42
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)[N-]C1=NC(C2=CC=CO2)=CS1	REAL300020065265	1	37	-2.0	-90.32	353.03	1.89	-88.43
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N[N-]C(=O)C1=CC=CS1	REAL300020065324	1	35	-2.0	-96.54	338.93	0.18	-96.36
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N[N-]C(=O)C1=CC=CS1	REAL300020065324	1	35	-2.0	-96.52	338.98	0.20	-96.32
CCCCC1=NN=C([N-]C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL300020065348	0	41	-2.0	-95.65	373.63	2.34	-93.31
CCCCC1=NN=C([N-]C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL300020065348	1	41	-2.0	-95.63	373.69	2.36	-93.27
CCOC(=O)CC1=CSC([N-]C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL300020065349	1	42	-2.0	-95.01	388.22	2.48	-92.53
CCOC(=O)CC1=CSC([N-]C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL300020065349	1	42	-2.0	-95.00	388.28	2.49	-92.51
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)[N-]OCC1=CC=CC=C1	REAL300020065366	0	38	-2.0	-97.38	345.39	3.69	-93.69
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)[N-]OCC1=CC=CC=C1	REAL300020065366	1	38	-2.0	-97.37	345.45	3.71	-93.66
CC(C)(C)C1=NOC([N-]C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL300020065600	1	42	-2.0	-93.82	365.41	1.82	-92.00
CC(C)(C)C1=NOC([N-]C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL300020065600	1	42	-2.0	-93.78	365.35	1.80	-91.98
O=S1(=O)[N-]C(CN2C=C(CCC3=N[N-]N=N3)N=N2)=NC2=CC=CC=C21	REAL300020065739	0	36	-2.0	-87.65	333.90	1.25	-86.40
O=S1(=O)[N-]C(CN2C=C(CCC3=NN=N[N-]3)N=N2)=NC2=CC=CC=C21	REAL300020065739	1	36	-2.0	-87.69	333.96	1.26	-86.43
CC1=C(C2=NN=C([N-]C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)SC=C1	REAL300020065752	0	39	-2.0	-99.77	366.74	-1.54	-101.31
CC1=C(C2=NN=C([N-]C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)SC=C1	REAL300020065752	1	39	-2.0	-99.75	366.79	-1.52	-101.27
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)[N-]C1=NC2=CC=CC=C2S1	REAL300020065854	1	36	-2.0	-96.59	339.64	2.94	-93.65
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)[N-]C1=NC2=CC=CC=C2S1	REAL300020065854	1	36	-2.0	-96.61	339.58	2.93	-93.68
CC(C)CC1=NN=C([N-]C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)S1	REAL300020065914	0	41	-2.0	-96.08	370.38	2.17	-93.91
CC(C)CC1=NN=C([N-]C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)S1	REAL300020065914	1	41	-2.0	-96.08	370.44	2.19	-93.89
O=C1C=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C2=CC=C([O-])C=C2O1	REAL300020065933	1	36	-2.0	-93.71	328.33	3.92	-89.79
O=C1C=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C2=CC=C([O-])C=C2O1	REAL300020065933	1	36	-2.0	-93.74	328.39	3.94	-89.80
COC1=CC=C(C(=O)[N-]C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020065934	1	40	-2.0	-101.39	358.53	1.83	-99.56
COC1=CC=C(C(=O)[N-]C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020065934	1	40	-2.0	-101.39	358.59	1.85	-99.54
COC1=C2N=C([N-]C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)SC2=CC=C1	REAL300020066002	1	40	-2.0	-96.39	367.00	1.77	-94.62
CC1=NOC([N-]C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL300020066237	1	33	-2.0	-92.47	304.74	-0.07	-92.54
CC1=NOC([N-]C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL300020066237	1	33	-2.0	-92.47	304.80	-0.06	-92.53
CC1=NOC([N-]C(=O)C(C)N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL300020066250	1	36	-2.0	-84.64	322.26	0.31	-84.33
CC1=NOC([N-]C(=O)C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL300020066250	1	36	-2.0	-84.67	322.31	0.33	-84.34
O=[N+]([O-])C1=CC=C([O-])C=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020066283	0	33	-2.0	-84.43	302.16	3.06	-81.37
O=[N+]([O-])C1=CC=C([O-])C=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020066283	1	33	-2.0	-84.41	302.22	3.07	-81.34
CC(C(=O)[N-]C1=NC=CS1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020066355	1	33	-2.0	-83.56	309.79	0.95	-82.61
CC(C(=O)[N-]C1=NC=CS1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020066355	1	33	-2.0	-83.58	309.73	0.93	-82.65
CC(C(=O)[N-]C1=NC2=CC=C(F)C=C2S1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020066377	1	39	-2.0	-83.10	363.58	3.43	-79.67
CC(C(=O)[N-]C1=NC2=CC=C(F)C=C2S1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020066377	1	39	-2.0	-83.13	363.52	3.42	-79.71
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)[N-]C1=NN=C(C2=CC=CO2)O1	REAL300020066419	0	36	-2.0	-99.41	340.39	-3.70	-103.11
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)[N-]C1=NN=C(C2=CC=CO2)O1	REAL300020066419	1	36	-2.0	-99.38	340.44	-3.69	-103.07
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)[N-]C1=NC(C2CC2)=NO1	REAL300020066422	0	36	-2.0	-93.20	330.60	0.00	-93.20
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)[N-]C1=NC(C2CC2)=NO1	REAL300020066422	1	36	-2.0	-93.20	330.66	0.02	-93.18
O=C(OCC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300020067101	1	36	-2.0	-91.97	338.57	3.71	-88.26
O=C(OCC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300020067101	1	36	-2.0	-91.97	338.62	3.73	-88.24
CN1C(=O)C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300020068524	0	30	-2.0	-75.34	291.29	4.00	-71.34
CN1C(=O)C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300020068524	1	30	-2.0	-75.29	291.35	4.01	-71.28
CCN1C(=O)C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300020068525	0	33	-2.0	-75.88	312.42	5.05	-70.83
CCN1C(=O)C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300020068525	1	33	-2.0	-75.88	312.48	5.06	-70.82
COCCCN1C(=O)C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300020068571	0	40	-2.0	-77.79	367.60	4.87	-72.92
COCCCN1C(=O)C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300020068571	1	40	-2.0	-77.78	367.65	4.88	-72.90
CSC1=NC(C)=C(CCC(=O)OCC2=N[N-]N=N2)C(=O)[N-]1	REAL300020068955	1	33	-2.0	-89.47	309.25	1.96	-87.51
CSC1=NC(C)=C(CCC(=O)OCC2=NN=N[N-]2)C(=O)[N-]1	REAL300020068955	1	33	-2.0	-89.46	309.30	1.97	-87.49
O=C(OCC1=N[N-]N=N1)C1=CC=C(C(=O)OCC2=CC=CC=C2)[N-]1	REAL300020069101	1	35	-2.0	-89.33	332.06	5.66	-83.67
O=C(OCC1=NN=N[N-]1)C1=CC=C(C(=O)OCC2=CC=CC=C2)[N-]1	REAL300020069101	1	35	-2.0	-89.32	332.12	5.68	-83.64
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)OCC3=N[N-]N=N3)=CC=C2C)=C1	REAL300020069445	1	42	-2.0	-89.09	375.66	5.18	-83.91
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)OCC3=NN=N[N-]3)=CC=C2C)=C1	REAL300020069445	1	42	-2.0	-89.05	375.72	5.19	-83.86
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)OCC3=N[N-]N=N3)=C2)=C1	REAL300020069446	1	39	-2.0	-89.27	360.23	4.40	-84.87
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)OCC3=NN=N[N-]3)=C2)=C1	REAL300020069446	1	39	-2.0	-89.25	360.29	4.42	-84.83
O=C(OCC1=N[N-]N=N1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300020069448	1	36	-2.0	-82.38	345.25	3.79	-78.59
O=C(OCC1=NN=N[N-]1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300020069448	1	36	-2.0	-82.39	345.31	3.80	-78.59
O=C(OCC1=N[N-]N=N1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300020069456	0	36	-2.0	-90.47	342.74	4.00	-86.47
O=C(OCC1=NN=N[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300020069456	1	36	-2.0	-90.46	342.80	4.02	-86.44
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL300020069544	0	40	-2.0	-91.98	368.06	3.06	-88.92
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL300020069544	1	40	-2.0	-92.00	368.12	3.07	-88.93
O=C(OCC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300020069553	0	33	-2.0	-90.29	330.49	2.72	-87.57
O=C(OCC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300020069553	1	33	-2.0	-90.28	330.54	2.73	-87.55
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)C=C1	REAL300020069555	1	39	-2.0	-84.70	360.21	4.41	-80.29
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)C=C1	REAL300020069555	1	39	-2.0	-84.72	360.27	4.43	-80.29
O=C(OCC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300020069556	1	36	-2.0	-84.01	338.80	3.74	-80.27
O=C(OCC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300020069556	1	36	-2.0	-84.01	338.86	3.75	-80.26
O=C(OCC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300020069796	1	36	-2.0	-83.05	351.26	3.84	-79.21
O=C(OCC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2)C=C1	REAL300020069796	1	36	-2.0	-83.04	351.31	3.85	-79.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)OCC3=N[N-]N=N3)=C2)C=C1	REAL300020069801	1	39	-2.0	-88.77	360.23	4.39	-84.38
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)=CC=C1F	REAL300020069807	1	39	-2.0	-85.85	365.28	4.41	-81.44
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)=CC=C1F	REAL300020069807	1	39	-2.0	-85.83	365.34	4.43	-81.40
O=C([N-]CC1=CC=C(C(=O)OCC2=N[N-]N=N2)O1)C(F)(F)F	REAL300020070020	0	28	-2.0	-82.37	291.46	-0.15	-82.52
O=C([N-]CC1=CC=C(C(=O)OCC2=NN=N[N-]2)O1)C(F)(F)F	REAL300020070020	1	28	-2.0	-82.35	291.52	-0.14	-82.49
O=C(OCC1=N[N-]N=N1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300020070073	1	36	-2.0	-85.36	344.96	3.78	-81.58
O=C(OCC1=NN=N[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300020070073	1	36	-2.0	-85.36	345.02	3.80	-81.56
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL300020070075	1	39	-2.0	-84.01	358.71	4.50	-79.51
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL300020070075	1	39	-2.0	-84.00	358.76	4.52	-79.48
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)OCC3=NN=N[N-]3)SC=C2)C=N1	REAL300020070159	0	33	-2.0	-99.05	329.66	1.13	-97.92
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)OCC3=N[N-]N=N3)SC=C2)C=N1	REAL300020070159	1	33	-2.0	-99.05	329.60	1.12	-97.93
O=C(OCC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300020070449	0	32	-2.0	-83.32	327.41	1.93	-81.39
O=C(OCC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300020070449	1	32	-2.0	-83.35	327.35	1.92	-81.43
O=C(OCC1=N[N-]N=N1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300020070465	0	29	-2.0	-74.14	300.36	1.17	-72.97
O=C(OCC1=NN=N[N-]1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300020070465	1	29	-2.0	-74.16	300.41	1.18	-72.98
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)C=C1C	REAL300020070541	1	42	-2.0	-93.27	376.99	4.92	-88.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)C=C1C	REAL300020070541	1	42	-2.0	-93.27	377.04	4.93	-88.34
COCCN1C(=O)C(=C(C)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)[N-]C1=S	REAL300020071218	1	42	-2.0	-87.95	369.40	3.64	-84.31
COCCN1C(=O)C(=C(C)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)[N-]C1=S	REAL300020071218	1	42	-2.0	-87.93	369.47	3.62	-84.31
COCCN1C(=O)C(=CNC2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)[N-]C1=S	REAL300020071219	1	39	-2.0	-89.41	352.13	3.13	-86.28
COCCN1C(=O)C(=CNC2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)[N-]C1=S	REAL300020071219	1	39	-2.0	-89.40	352.19	3.13	-86.27
CC(NC1=CC=CC(C2=N[N-]N=N2)=C1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O	REAL300020071220	1	44	-2.0	-87.49	373.91	5.33	-82.16
CC(NC1=CC=CC(C2=NN=N[N-]2)=C1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O	REAL300020071220	1	44	-2.0	-87.44	373.97	5.32	-82.12
CC(C)CN1C(=O)C(=CNC2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)[N-]C1=S	REAL300020071221	1	41	-2.0	-88.81	356.62	4.78	-84.03
CC(C)CN1C(=O)C(=CNC2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)[N-]C1=S	REAL300020071221	1	41	-2.0	-88.80	356.69	4.77	-84.03
CCC(NC1=CC=CC(C2=N[N-]N=N2)=C1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O	REAL300020071222	1	47	-2.0	-81.36	392.23	5.97	-75.39
CCC(NC1=CC=CC(C2=NN=N[N-]2)=C1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O	REAL300020071222	1	47	-2.0	-81.29	392.28	5.97	-75.32
O=C(NCCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=NC=CC=C1[O-]	REAL300020071489	1	40	-2.0	-96.99	356.67	1.71	-95.28
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=NC=CC=C1[O-]	REAL300020071489	1	40	-2.0	-96.96	356.73	1.73	-95.23
O=C(CN1[N-]C=C2C1=NC=NC2=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020071590	0	45	-2.0	-93.27	403.84	0.74	-92.53
O=C(CN1[N-]C=C2C1=NC=NC2=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020071590	1	45	-2.0	-93.23	403.90	0.75	-92.48
O=C(CCCN1C(=O)[N-]NC1=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020073449	0	47	-2.0	-90.98	412.82	-0.95	-91.93
O=C(CCCN1C(=O)[N-]NC1=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073449	1	47	-2.0	-90.98	412.88	-0.94	-91.92
O=C(CCC1=NNC(=O)[N-]C1=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020073554	0	45	-2.0	-89.96	400.52	-3.68	-93.64
O=C(CCC1=NNC(=O)[N-]C1=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073554	1	45	-2.0	-89.97	400.57	-3.66	-93.63
O=C(NCCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=NNC(=O)[N-]C1=O	REAL300020073726	0	39	-2.0	-90.17	356.18	-3.82	-93.99
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=NNC(=O)[N-]C1=O	REAL300020073726	1	39	-2.0	-90.14	356.24	-3.80	-93.94
O=C(CCN1C=C[N-]C(=O)C1=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020073973	1	46	-2.0	-95.75	406.26	0.46	-95.29
O=C(CCN1C=C[N-]C(=O)C1=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073973	1	46	-2.0	-95.76	406.31	0.48	-95.28
O=C(CN1C(=O)[N-]NC1=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020074278	0	41	-2.0	-91.08	370.30	-2.15	-93.23
O=C(CN1C(=O)[N-]NC1=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074278	1	41	-2.0	-91.05	370.35	-2.14	-93.19
O=C(NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=NC=CC=C1[O-]	REAL300020074611	1	37	-2.0	-101.42	335.18	0.94	-100.48
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=NC=CC=C1[O-]	REAL300020074611	1	37	-2.0	-101.38	335.23	0.95	-100.43
O=C(CN1[N-]C=C2C1=NC=NC2=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020074712	0	42	-2.0	-99.99	382.35	-0.04	-100.03
O=C(CN1[N-]C=C2C1=NC=NC2=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074712	1	42	-2.0	-100.03	382.40	-0.03	-100.06
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020076219	0	43	-2.0	-79.09	385.38	-1.10	-80.19
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076219	1	43	-2.0	-79.10	385.44	-1.09	-80.19
O=C(CCCN1C(=O)[N-]NC1=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020076731	0	44	-2.0	-96.53	391.32	-1.73	-98.26
O=C(CCCN1C(=O)[N-]NC1=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076731	1	44	-2.0	-96.54	391.38	-1.71	-98.25
CC(C)CN1[N-]C(CC(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)=CC1=O	REAL300020076782	0	50	-2.0	-103.54	428.21	2.36	-101.18
CC(C)CN1[N-]C(CC(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)=CC1=O	REAL300020076782	1	50	-2.0	-103.50	428.27	2.38	-101.12
O=C(CCC1=NNC(=O)[N-]C1=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020076847	0	42	-2.0	-94.11	379.02	-4.46	-98.57
O=C(CCC1=NNC(=O)[N-]C1=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076847	1	42	-2.0	-94.06	379.07	-4.44	-98.50
O=C(NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=NNC(=O)[N-]C1=O	REAL300020077039	0	36	-2.0	-93.30	334.68	-4.58	-97.88
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=NNC(=O)[N-]C1=O	REAL300020077039	1	36	-2.0	-93.29	334.74	-4.57	-97.86
O=C(CCN1C=C[N-]C(=O)C1=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020077302	1	43	-2.0	-98.92	384.76	-0.31	-99.23
O=C(CCN1C=C[N-]C(=O)C1=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077302	1	43	-2.0	-98.89	384.82	-0.30	-99.19
O=C(CN1C(=O)[N-]NC1=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020077627	0	38	-2.0	-96.39	348.80	-2.93	-99.32
O=C(CN1C(=O)[N-]NC1=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077627	1	38	-2.0	-96.42	348.85	-2.91	-99.33
O=C(C1=NC=CC=C1[O-])N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020077981	1	44	-2.0	-101.36	373.41	4.46	-96.90
O=C(C1=NC=CC=C1[O-])N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077981	1	44	-2.0	-101.34	373.46	4.48	-96.86
O=C(C1=NNC(=O)[N-]C1=O)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020078952	0	43	-2.0	-112.11	363.08	-1.03	-113.14
O=C(C1=NNC(=O)[N-]C1=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078952	1	43	-2.0	-112.15	363.13	-1.02	-113.17
O=C(CN1C(=O)[N-]NC1=O)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020079175	0	45	-2.0	-95.46	389.50	0.17	-95.29
O=C(CN1C(=O)[N-]NC1=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079175	1	45	-2.0	-95.47	389.56	0.18	-95.29
O=C(NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=NC=CC=C1[O-]	REAL300020079484	1	44	-2.0	-96.80	390.63	1.03	-95.77
O=C(NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=NC=CC=C1[O-]	REAL300020079484	1	44	-2.0	-96.80	390.69	1.05	-95.75
O=C(NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=NNC(=O)[N-]C1=O	REAL300020080266	0	43	-2.0	-89.86	390.14	-4.49	-94.35
O=C(NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=NNC(=O)[N-]C1=O	REAL300020080266	1	43	-2.0	-89.89	390.19	-4.47	-94.36
O=C(CN1C(=O)[N-]NC1=O)NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020080437	0	45	-2.0	-91.05	404.26	-2.83	-93.88
O=C(CN1C(=O)[N-]NC1=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080437	1	45	-2.0	-91.07	404.31	-2.82	-93.89
O=C(C1=NC=CC=C1[O-])N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020080743	1	44	-2.0	-97.57	369.88	3.66	-93.91
O=C(C1=NC=CC=C1[O-])N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020080743	1	44	-2.0	-97.56	369.93	3.67	-93.89
O=C(C1=NNC(=O)[N-]C1=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081714	0	43	-2.0	-90.99	367.95	-1.81	-92.80
O=C(C1=NNC(=O)[N-]C1=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081714	1	43	-2.0	-90.96	368.00	-1.79	-92.75
O=C(CN1C(=O)[N-]NC1=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081937	0	45	-2.0	-92.98	383.91	-0.11	-93.09
O=C(CN1C(=O)[N-]NC1=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081937	1	45	-2.0	-93.02	383.97	-0.09	-93.11
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=NC=CC=C1[O-]	REAL300020082241	1	40	-2.0	-109.76	353.87	2.15	-107.61
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=NC=CC=C1[O-]	REAL300020082241	1	40	-2.0	-109.70	353.93	2.16	-107.54
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300020082342	0	45	-2.0	-102.93	401.04	1.21	-101.72
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300020082342	1	45	-2.0	-102.90	401.09	1.23	-101.67
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300020084201	0	47	-2.0	-98.35	410.01	-0.49	-98.84
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300020084201	1	47	-2.0	-98.40	410.07	-0.47	-98.87
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300020084306	0	45	-2.0	-97.07	397.71	-3.21	-100.28
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300020084306	1	45	-2.0	-97.08	397.77	-3.20	-100.28
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300020084478	0	39	-2.0	-101.10	353.37	-3.35	-104.45
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300020084478	1	39	-2.0	-101.14	353.43	-3.33	-104.47
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300020084725	1	46	-2.0	-98.62	403.45	0.93	-97.69
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300020084725	1	46	-2.0	-98.71	403.51	0.94	-97.77
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CN1C(=O)[N-]NC1=O	REAL300020085030	0	41	-2.0	-101.36	367.49	-1.68	-103.04
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CN1C(=O)[N-]NC1=O	REAL300020085030	1	41	-2.0	-101.40	367.55	-1.66	-103.06
CC(CNC(=O)C1=NC=CC=C1[O-])N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020085377	1	40	-2.0	-99.66	352.03	1.56	-98.10
CC(CNC(=O)C1=NC=CC=C1[O-])N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085377	1	40	-2.0	-99.69	352.09	1.57	-98.12
CC(CNC(=O)CN1[N-]C=C2C1=NC=NC2=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020085478	0	45	-2.0	-97.95	399.20	0.59	-97.36
CC(CNC(=O)CN1[N-]C=C2C1=NC=NC2=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085478	1	45	-2.0	-97.98	399.26	0.60	-97.38
CC(CNC(=O)CCCN1C(=O)[N-]NC1=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087337	0	47	-2.0	-93.81	408.20	-1.09	-94.90
CC(CNC(=O)CCCN1C(=O)[N-]NC1=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087337	1	47	-2.0	-93.83	408.26	-1.07	-94.90
CC(CNC(=O)CCC1=NNC(=O)[N-]C1=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087442	0	45	-2.0	-92.59	395.87	-3.82	-96.41
CC(CNC(=O)CCC1=NNC(=O)[N-]C1=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087442	1	45	-2.0	-92.58	395.93	-3.81	-96.39
CC(CNC(=O)C1=NNC(=O)[N-]C1=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087614	0	39	-2.0	-90.58	351.56	-3.93	-94.51
CC(CNC(=O)C1=NNC(=O)[N-]C1=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087614	1	39	-2.0	-90.59	351.62	-3.92	-94.51
CC(CNC(=O)CCN1C=C[N-]C(=O)C1=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087861	1	46	-2.0	-95.92	401.62	0.33	-95.59
CC(CNC(=O)CCN1C=C[N-]C(=O)C1=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087861	1	46	-2.0	-95.92	401.67	0.34	-95.58
CC(CNC(=O)CN1C(=O)[N-]NC1=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020088166	0	41	-2.0	-93.22	365.68	-2.29	-95.51
CC(CNC(=O)CN1C(=O)[N-]NC1=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088166	1	41	-2.0	-93.23	365.74	-2.27	-95.50
CC(CNC(=O)C1=NC=CC=C1[O-])N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020088513	1	40	-2.0	-99.66	352.03	1.56	-98.10
CC(CNC(=O)C1=NC=CC=C1[O-])N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088513	1	40	-2.0	-99.69	352.09	1.57	-98.12
CC(CNC(=O)CN1[N-]C=C2C1=NC=NC2=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020088614	0	45	-2.0	-97.95	399.20	0.59	-97.36
CC(CNC(=O)CN1[N-]C=C2C1=NC=NC2=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088614	1	45	-2.0	-97.98	399.26	0.60	-97.38
CC(CNC(=O)CCCN1C(=O)[N-]NC1=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090473	0	47	-2.0	-93.81	408.20	-1.09	-94.90
CC(CNC(=O)CCCN1C(=O)[N-]NC1=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090473	1	47	-2.0	-93.83	408.26	-1.07	-94.90
CC(CNC(=O)CCC1=NNC(=O)[N-]C1=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090578	0	45	-2.0	-92.59	395.87	-3.82	-96.41
CC(CNC(=O)CCC1=NNC(=O)[N-]C1=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090578	1	45	-2.0	-92.58	395.93	-3.81	-96.39
CC(CNC(=O)C1=NNC(=O)[N-]C1=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090750	0	39	-2.0	-90.58	351.56	-3.93	-94.51
CC(CNC(=O)C1=NNC(=O)[N-]C1=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090750	1	39	-2.0	-90.59	351.62	-3.92	-94.51
CC(CNC(=O)CCN1C=C[N-]C(=O)C1=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090997	1	46	-2.0	-95.92	401.62	0.33	-95.59
CC(CNC(=O)CCN1C=C[N-]C(=O)C1=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090997	1	46	-2.0	-95.92	401.67	0.34	-95.58
CC(CNC(=O)CN1C(=O)[N-]NC1=O)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091302	0	41	-2.0	-93.22	365.68	-2.29	-95.51
CC(CNC(=O)CN1C(=O)[N-]NC1=O)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091302	1	41	-2.0	-93.23	365.74	-2.27	-95.50
O=C(C1=NC=CC=C1[O-])N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020091655	1	47	-2.0	-101.04	388.06	4.54	-96.50
O=C(C1=NC=CC=C1[O-])N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020091655	1	47	-2.0	-101.04	388.11	4.55	-96.49
CC(C)(CNC(=O)C1=NC=CC=C1[O-])CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020092530	1	46	-2.0	-95.44	385.74	3.34	-92.10
CC(C)(CNC(=O)C1=NC=CC=C1[O-])CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020092530	1	46	-2.0	-95.46	385.79	3.36	-92.10
CC(C)(CNC(=O)C1=NNC(=O)[N-]C1=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020093417	0	45	-2.0	-88.80	385.24	-2.15	-90.95
CC(C)(CNC(=O)C1=NNC(=O)[N-]C1=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093417	1	45	-2.0	-88.77	385.30	-2.14	-90.91
CC(C)(CNC(=O)CN1C(=O)[N-]NC1=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020093611	0	47	-2.0	-89.53	399.36	-0.51	-90.04
CC(C)(CNC(=O)CN1C(=O)[N-]NC1=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093611	1	47	-2.0	-89.55	399.42	-0.49	-90.04
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=NC=CC=C1[O-]	REAL300020093914	1	40	-2.0	-108.74	355.54	1.73	-107.01
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=NC=CC=C1[O-]	REAL300020093914	1	40	-2.0	-108.73	355.59	1.74	-106.99
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300020094015	0	45	-2.0	-103.12	402.71	0.79	-102.33
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300020094015	1	45	-2.0	-103.14	402.77	0.80	-102.34
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300020095874	0	47	-2.0	-102.54	411.69	-0.91	-103.45
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300020095874	1	47	-2.0	-102.59	411.75	-0.90	-103.49
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300020095979	0	45	-2.0	-98.81	399.39	-3.64	-102.45
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300020095979	1	45	-2.0	-98.81	399.44	-3.62	-102.43
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300020096151	0	39	-2.0	-101.23	355.04	-3.79	-105.02
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300020096151	1	39	-2.0	-101.20	355.09	-3.78	-104.98
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300020096398	1	46	-2.0	-110.85	405.13	0.51	-110.34
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300020096398	1	46	-2.0	-110.83	405.19	0.52	-110.31
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CN1C(=O)[N-]NC1=O	REAL300020096703	0	41	-2.0	-105.64	369.16	-2.10	-107.74
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CN1C(=O)[N-]NC1=O	REAL300020096703	1	41	-2.0	-105.65	369.22	-2.09	-107.74
O=C(C1=NC=CC=C1[O-])N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020097054	1	41	-2.0	-103.86	360.88	3.32	-100.54
O=C(C1=NC=CC=C1[O-])N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097054	1	41	-2.0	-103.82	360.94	3.33	-100.49
O=C(C1=NNC(=O)[N-]C1=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020098664	0	40	-2.0	-97.19	360.48	-2.34	-99.53
O=C(C1=NNC(=O)[N-]C1=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098664	1	40	-2.0	-97.16	360.54	-2.32	-99.48
O=C(CN1C(=O)[N-]NC1=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020099050	0	42	-2.0	-96.55	377.07	-0.62	-97.17
O=C(CN1C(=O)[N-]NC1=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099050	1	42	-2.0	-96.55	377.13	-0.61	-97.16
O=C(C1=NC=CC=C1[O-])N1CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020099386	1	47	-2.0	-118.91	385.87	5.06	-113.85
O=C(C1=NC=CC=C1[O-])N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099386	1	47	-2.0	-118.93	385.93	5.07	-113.86
O=C(C1=NC=CC=C1[O-])N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020100261	1	44	-2.0	-115.48	373.39	4.27	-111.21
O=C(C1=NC=CC=C1[O-])N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020100261	1	44	-2.0	-115.51	373.45	4.28	-111.23
O=C(C1=NNC(=O)[N-]C1=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020101232	0	43	-2.0	-101.68	375.70	-1.45	-103.13
O=C(C1=NNC(=O)[N-]C1=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101232	1	43	-2.0	-101.66	375.76	-1.44	-103.10
O=C(CN1C(=O)[N-]NC1=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020101455	0	45	-2.0	-93.16	393.22	0.03	-93.13
O=C(CN1C(=O)[N-]NC1=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101455	1	45	-2.0	-93.17	393.27	0.04	-93.13
O=C(C1=NC=CC=C1[O-])N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020101763	1	41	-2.0	-97.03	352.04	3.38	-93.65
O=C(C1=NC=CC=C1[O-])N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101763	1	41	-2.0	-97.06	352.10	3.40	-93.66
O=C(C1=NNC(=O)[N-]C1=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020103373	0	40	-2.0	-90.35	350.88	-2.35	-92.70
O=C(C1=NNC(=O)[N-]C1=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103373	1	40	-2.0	-90.33	350.94	-2.33	-92.66
O=C(CN1C(=O)[N-]NC1=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020103759	0	42	-2.0	-96.46	368.67	-0.87	-97.33
O=C(CN1C(=O)[N-]NC1=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103759	1	42	-2.0	-96.43	368.73	-0.86	-97.29
O=C(C1=NC=CC=C1[O-])N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020104089	1	38	-2.0	-95.19	337.02	2.38	-92.81
O=C(C1=NC=CC=C1[O-])N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104089	1	38	-2.0	-95.17	337.08	2.40	-92.77
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020104190	0	43	-2.0	-94.00	386.83	1.25	-92.75
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104190	1	43	-2.0	-93.97	386.89	1.27	-92.70
O=C(CCCN1C(=O)[N-]NC1=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020106142	0	45	-2.0	-91.53	395.78	-0.45	-91.98
O=C(CCCN1C(=O)[N-]NC1=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106142	1	45	-2.0	-91.52	395.83	-0.43	-91.95
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020106254	0	43	-2.0	-89.77	383.50	-3.16	-92.93
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106254	1	43	-2.0	-89.80	383.56	-3.15	-92.95
O=C(C1=NNC(=O)[N-]C1=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020106438	0	37	-2.0	-88.77	336.63	-3.26	-92.03
O=C(C1=NNC(=O)[N-]C1=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106438	1	37	-2.0	-88.81	336.68	-3.25	-92.06
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020106691	1	44	-2.0	-94.52	389.25	0.98	-93.54
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106691	1	44	-2.0	-94.53	389.31	0.99	-93.54
O=C(CN1C(=O)[N-]NC1=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020107005	0	39	-2.0	-91.11	353.29	-1.63	-92.74
O=C(CN1C(=O)[N-]NC1=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107005	1	39	-2.0	-91.10	353.35	-1.62	-92.72
O=C(C1=NC=CC=C1[O-])N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020107360	1	44	-2.0	-93.84	366.93	4.19	-89.65
O=C(C1=NC=CC=C1[O-])N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107360	1	44	-2.0	-93.80	366.99	4.20	-89.60
O=C(C1=NNC(=O)[N-]C1=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020108331	0	43	-2.0	-90.22	366.52	-1.65	-91.87
O=C(C1=NNC(=O)[N-]C1=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108331	1	43	-2.0	-90.25	366.58	-1.63	-91.88
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020108554	0	45	-2.0	-93.51	383.58	-0.15	-93.66
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108554	1	45	-2.0	-93.53	383.64	-0.13	-93.66
O=C(C1=NC=CC=C1[O-])N1CCOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020108864	1	45	-2.0	-100.66	383.03	2.50	-98.16
O=C(C1=NC=CC=C1[O-])N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108864	1	45	-2.0	-100.65	383.09	2.52	-98.13
O=C(C1=NC=CC=C1[O-])N1CCCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020109569	1	50	-2.0	-122.70	405.31	6.30	-116.40
O=C(C1=NC=CC=C1[O-])N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109569	1	50	-2.0	-122.70	405.37	6.32	-116.38
O=C(NC1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1=NC=CC=C1[O-]	REAL300020110244	1	47	-2.0	-96.39	390.33	3.72	-92.67
O=C(NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1=NC=CC=C1[O-]	REAL300020110244	1	47	-2.0	-96.37	390.38	3.74	-92.63
O=C(C1=NC=CC=C1[O-])N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020111120	1	47	-2.0	-102.47	380.68	5.69	-96.78
O=C(C1=NC=CC=C1[O-])N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111120	1	47	-2.0	-102.48	380.74	5.71	-96.77
O=C(C1=NC=CC=C1[O-])N1C2CCC1CC(N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020111969	1	48	-2.0	-101.70	388.41	5.22	-96.48
O=C(C1=NC=CC=C1[O-])N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020111969	1	48	-2.0	-101.73	388.47	5.24	-96.49
O=C(NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1=NC=CC=C1[O-]	REAL300020112538	1	41	-2.0	-94.28	358.60	2.02	-92.26
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1=NC=CC=C1[O-]	REAL300020112538	1	41	-2.0	-94.28	358.66	2.04	-92.24
O=C(NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1=NNC(=O)[N-]C1=O	REAL300020114148	0	40	-2.0	-88.65	358.11	-3.48	-92.13
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1=NNC(=O)[N-]C1=O	REAL300020114148	1	40	-2.0	-88.63	358.17	-3.46	-92.09
O=C(CN1C(=O)[N-]NC1=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020114534	0	42	-2.0	-99.70	370.28	-1.95	-101.65
O=C(CN1C(=O)[N-]NC1=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114534	1	42	-2.0	-99.70	370.33	-1.94	-101.64
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020116851	0	38	-2.0	-88.99	374.32	2.13	-86.86
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020116851	1	38	-2.0	-89.03	374.37	2.15	-86.88
CC(C)C(CO)O[N-]C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020117271	0	45	-2.0	-88.49	380.82	1.32	-87.17
CC(C)C(CO)O[N-]C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117271	1	45	-2.0	-88.49	380.88	1.33	-87.16
CC(C)C(CO)O[N-]C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020117272	0	41	-2.0	-98.90	354.68	-0.32	-99.22
CC(C)C(CO)O[N-]C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117272	1	41	-2.0	-98.91	354.73	-0.31	-99.22
CC(C)C(CO)O[N-]C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020117273	1	49	-2.0	-101.67	412.15	2.02	-99.65
CC(C)C(CO)O[N-]C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020117273	1	49	-2.0	-101.73	412.21	2.03	-99.70
CCCO[N-]C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020117369	0	38	-2.0	-86.51	333.23	3.11	-83.40
CCCO[N-]C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117369	1	38	-2.0	-86.48	333.28	3.12	-83.36
O=C(N1CCC2=C(CC1)C(=O)[N-]O2)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020121626	0	45	-2.0	-94.59	377.73	2.13	-92.46
O=C(N1CCC2=C(CC1)C(=O)[N-]O2)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020121626	1	45	-2.0	-94.58	377.79	2.14	-92.44
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC2=C(CC1)C(=O)[N-]O2	REAL300020121627	0	41	-2.0	-105.71	349.52	1.21	-104.50
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC2=C(CC1)C(=O)[N-]O2	REAL300020121627	1	41	-2.0	-105.76	349.58	1.22	-104.54
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC2=C(CC1)C(=O)[N-]O2	REAL300020121628	0	44	-2.0	-94.13	371.59	1.86	-92.27
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC2=C(CC1)C(=O)[N-]O2	REAL300020121628	1	44	-2.0	-94.17	371.65	1.87	-92.30
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC2=C(CC1)C(=O)[N-]O2	REAL300020121629	0	47	-2.0	-106.20	393.10	2.66	-103.54
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC2=C(CC1)C(=O)[N-]O2	REAL300020121629	1	47	-2.0	-106.23	393.16	2.67	-103.56
O=C(C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)N1CCC2=C(CC1)C(=O)[N-]O2	REAL300020121630	0	48	-2.0	-103.08	393.62	2.78	-100.30
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CCC2=C(CC1)C(=O)[N-]O2	REAL300020121630	1	48	-2.0	-103.10	393.68	2.79	-100.31
O=C(N1CCCC(C2=NC(=O)[N-]N2)C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122618	1	48	-2.0	-95.65	404.17	0.38	-95.27
O=C(N1CCCC(C2=NC(=O)[N-]N2)C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122618	1	48	-2.0	-95.70	404.23	0.39	-95.31
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCC(C2=NC(=O)[N-]N2)C1	REAL300020122619	1	44	-2.0	-108.13	374.05	-0.81	-108.94
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC(C2=NC(=O)[N-]N2)C1	REAL300020122619	1	44	-2.0	-108.16	374.11	-0.80	-108.96
O=C(NCCC1=NNC(=O)[N-]1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122912	0	41	-2.0	-87.34	369.51	-1.74	-89.08
O=C(NCCC1=NNC(=O)[N-]1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122912	1	41	-2.0	-87.32	369.56	-1.72	-89.04
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCCC1=NNC(=O)[N-]1	REAL300020122913	0	37	-2.0	-99.55	337.01	-2.97	-102.52
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCCC1=NNC(=O)[N-]1	REAL300020122913	1	37	-2.0	-99.56	337.07	-2.95	-102.51
O=C(NCCC1=NNC(=O)[N-]1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020122914	0	45	-2.0	-99.31	394.48	-0.69	-100.00
O=C(NCCC1=NNC(=O)[N-]1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020122914	1	45	-2.0	-99.25	394.54	-0.67	-99.92
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCCC1=NNC(=O)[N-]1	REAL300020122915	0	40	-2.0	-88.24	359.14	-2.36	-90.60
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCCC1=NNC(=O)[N-]1	REAL300020122915	1	40	-2.0	-88.25	359.20	-2.34	-90.59
O=C(NCCC1=NNC(=O)[N-]1)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020122916	0	44	-2.0	-94.00	400.69	-1.15	-95.15
O=C(NCCC1=NNC(=O)[N-]1)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020122916	1	44	-2.0	-94.03	400.75	-1.13	-95.16
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NCCC1=NNC(=O)[N-]1	REAL300020122917	0	43	-2.0	-98.73	380.64	-1.56	-100.29
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCCC1=NNC(=O)[N-]1	REAL300020122917	1	43	-2.0	-98.77	380.70	-1.55	-100.32
O=C(NCCC1=NNC(=O)[N-]1)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122918	0	44	-2.0	-93.54	381.89	-1.41	-94.95
O=C(NCCC1=NNC(=O)[N-]1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122918	1	44	-2.0	-93.54	381.94	-1.40	-94.94
O=C([N-]OCC(F)(F)F)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020123104	0	35	-2.0	-81.67	331.30	2.76	-78.91
O=C([N-]OCC(F)(F)F)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020123104	1	35	-2.0	-81.67	331.36	2.78	-78.89
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)[N-]OCC(F)(F)F	REAL300020123105	0	31	-2.0	-90.71	305.05	1.10	-89.61
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)[N-]OCC(F)(F)F	REAL300020123105	1	31	-2.0	-90.69	305.11	1.12	-89.57
O=C([N-]OCC(F)(F)F)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020123106	1	39	-2.0	-93.43	362.53	3.43	-90.00
O=C([N-]OCC(F)(F)F)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020123106	1	39	-2.0	-93.44	362.59	3.44	-90.00
O=C(NCC1=NNC(=O)[N-]1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126257	0	38	-2.0	-86.62	347.51	-2.57	-89.19
O=C(NCC1=NNC(=O)[N-]1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126257	1	38	-2.0	-86.68	347.57	-2.55	-89.23
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1=NNC(=O)[N-]1	REAL300020126258	0	34	-2.0	-91.81	314.83	-3.59	-95.40
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1=NNC(=O)[N-]1	REAL300020126258	1	34	-2.0	-91.78	314.89	-3.58	-95.36
O=C(NCC1=NNC(=O)[N-]1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020126259	0	42	-2.0	-91.96	372.32	-1.30	-93.26
O=C(NCC1=NNC(=O)[N-]1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020126259	1	42	-2.0	-91.97	372.37	-1.29	-93.26
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1=NNC(=O)[N-]1	REAL300020126260	0	37	-2.0	-84.21	336.96	-2.97	-87.18
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1=NNC(=O)[N-]1	REAL300020126260	1	37	-2.0	-84.21	337.02	-2.96	-87.17
O=C(NCC1=NNC(=O)[N-]1)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020126261	0	41	-2.0	-90.67	378.51	-1.78	-92.45
O=C(NCC1=NNC(=O)[N-]1)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020126261	1	41	-2.0	-90.66	378.57	-1.77	-92.43
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1=NNC(=O)[N-]1	REAL300020126262	0	40	-2.0	-91.80	358.46	-2.17	-93.97
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1=NNC(=O)[N-]1	REAL300020126262	1	40	-2.0	-91.79	358.51	-2.15	-93.94
O=C(NCC1=NNC(=O)[N-]1)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020126263	0	44	-2.0	-90.44	383.77	-0.08	-90.52
O=C(NCC1=NNC(=O)[N-]1)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020126263	1	44	-2.0	-90.42	383.83	-0.06	-90.48
O=C(NCC1=NNC(=O)[N-]1)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020126264	0	44	-2.0	-90.38	393.76	0.03	-90.35
O=C(NCC1=NNC(=O)[N-]1)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020126264	1	44	-2.0	-90.36	393.82	0.04	-90.32
O=C(NCC1=NNC(=O)[N-]1)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126265	0	47	-2.0	-85.46	395.46	-0.68	-86.14
O=C(NCC1=NNC(=O)[N-]1)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126265	1	47	-2.0	-85.50	395.51	-0.67	-86.17
O=C(NCC1=NNC(=O)[N-]1)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126266	0	47	-2.0	-85.46	395.46	-0.68	-86.14
O=C(NCC1=NNC(=O)[N-]1)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126266	1	47	-2.0	-85.50	395.51	-0.67	-86.17
O=C(NCC1=NNC(=O)[N-]1)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020126267	0	41	-2.0	-86.69	358.20	-2.11	-88.80
O=C(NCC1=NNC(=O)[N-]1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020126267	1	41	-2.0	-86.70	358.26	-2.10	-88.80
O=C([N-]OCC1CCOC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127644	0	43	-2.0	-86.83	367.83	2.47	-84.36
O=C([N-]OCC1CCOC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127644	1	43	-2.0	-86.85	367.89	2.48	-84.37
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)[N-]OCC1CCOC1	REAL300020127645	0	39	-2.0	-95.71	341.59	0.81	-94.90
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)[N-]OCC1CCOC1	REAL300020127645	1	39	-2.0	-95.68	341.65	0.82	-94.86
CC(C)(O)CO[N-]C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020129868	0	42	-2.0	-88.20	363.61	0.84	-87.36
CC(C)(O)CO[N-]C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020129868	1	42	-2.0	-88.18	363.67	0.86	-87.32
CC(C)(O)CO[N-]C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129869	0	38	-2.0	-97.88	337.37	-0.82	-98.70
CC(C)(O)CO[N-]C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129869	1	38	-2.0	-97.92	337.42	-0.80	-98.72