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O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNN=C1	REAL250004676662	1	27	-2.0	-105.07	262.17	-0.45	-105.52
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COCCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL250004676664	0	30	-2.0	-104.40	277.44	-0.05	-104.45
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COC(C)CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL250004676672	0	33	-2.0	-108.55	296.55	0.90	-107.65
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CCCC1=NN=C([N-]C(=O)CCC2=NN=N[N-]2)S1	REAL250004677598	1	29	-2.0	-93.91	274.71	1.11	-92.80
CC(C)C1=NN=C([N-]C(=O)CCC2=N[N-]N=N2)S1	REAL250004677599	0	29	-2.0	-94.53	273.97	0.93	-93.60
CC(C)C1=NN=C([N-]C(=O)CCC2=NN=N[N-]2)S1	REAL250004677599	1	29	-2.0	-94.50	274.03	0.95	-93.55
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CC(C)(C)C1=NN=C([N-]C(=O)CCC2=N[N-]N=N2)S1	REAL250004677602	1	32	-2.0	-95.91	292.21	1.42	-94.49
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CC(C)CC1=NN=C([N-]C(=O)CCC2=NN=N[N-]2)S1	REAL250004677630	1	32	-2.0	-94.67	292.95	1.72	-92.95
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CC(C)(C)C1=NSC([N-]C(=O)CCC2=N[N-]N=N2)=N1	REAL250004678104	0	32	-2.0	-86.92	290.75	1.59	-85.33
CC(C)(C)C1=NSC([N-]C(=O)CCC2=NN=N[N-]2)=N1	REAL250004678104	1	32	-2.0	-86.88	290.81	1.61	-85.27
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O=C(CCC1=NN=N[N-]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004678204	1	33	-2.0	-82.28	303.47	1.11	-81.17
O=C(CCC1=N[N-]N=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004678205	0	31	-2.0	-83.71	272.69	-1.31	-85.02
O=C(CCC1=N[N-]N=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004678205	1	31	-2.0	-83.75	272.64	-1.33	-85.08
O=C(CCC1=NN=N[N-]1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004678205	1	31	-2.0	-83.77	272.75	-1.29	-85.06
O=C(CCC1=NN=N[N-]1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004678205	1	31	-2.0	-83.79	272.69	-1.32	-85.11
CCN1C(=S)[N-]N=C1CNC(=O)CCC1=N[N-]N=N1	REAL250004678208	1	31	-2.0	-84.73	291.64	2.39	-82.34
CCN1C(=S)[N-]N=C1CNC(=O)CCC1=NN=N[N-]1	REAL250004678208	1	31	-2.0	-84.74	291.70	2.40	-82.34
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=NNN=C1	REAL250004678238	0	25	-2.0	-89.33	245.95	-4.30	-93.63
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=NNN=C1	REAL250004678238	1	25	-2.0	-89.31	246.01	-4.29	-93.60
CN1C(=S)[N-]N=C1CNC(=O)CCC1=N[N-]N=N1	REAL250004678255	1	28	-2.0	-84.23	269.83	1.49	-82.74
CC(C)N1C(=S)[N-]N=C1CNC(=O)CCC1=N[N-]N=N1	REAL250004678429	1	34	-2.0	-83.73	303.54	2.61	-81.12
CC(C)N1C(=S)[N-]N=C1CNC(=O)CCC1=NN=N[N-]1	REAL250004678429	1	34	-2.0	-83.70	303.60	2.62	-81.08
CC(C)CC(NC(=O)CCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL250004678540	0	35	-2.0	-88.97	302.58	0.29	-88.68
CC(C)CC(NC(=O)CCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL250004678540	1	35	-2.0	-88.93	302.53	0.27	-88.66
CC(C)CC(NC(=O)CCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL250004678540	1	35	-2.0	-88.90	302.64	0.30	-88.60
CC(C)CC(NC(=O)CCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL250004678540	1	35	-2.0	-88.91	302.58	0.29	-88.62
O=C(CCC1=N[N-]N=N1)[N-]C1=NC2=C(SC=C2)S1	REAL250004678601	1	24	-2.0	-90.68	250.50	1.10	-89.58
CC1=CC=C(C(=O)[N-]NC(=O)CCC2=N[N-]N=N2)O1	REAL250004678871	0	29	-2.0	-95.35	274.59	-0.49	-95.84
CC1=CC=C(C(=O)[N-]NC(=O)CCC2=NN=N[N-]2)O1	REAL250004678871	1	29	-2.0	-95.37	274.64	-0.47	-95.84
CCCC(NC(=O)CCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL250004678963	0	32	-2.0	-88.53	285.42	-0.30	-88.83
CCCC(NC(=O)CCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL250004678963	1	32	-2.0	-88.49	285.37	-0.31	-88.80
CCCC(NC(=O)CCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL250004678963	1	32	-2.0	-88.52	285.48	-0.28	-88.80
CCCC(NC(=O)CCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL250004678963	1	32	-2.0	-88.53	285.42	-0.30	-88.83
O=C(CCC1=N[N-]N=N1)NC1=CC=C2[N-]C(=S)OC2=C1	REAL250004679104	0	28	-2.0	-90.33	272.34	-0.12	-90.45
O=C(CCC1=NN=N[N-]1)NC1=CC=C2[N-]C(=S)OC2=C1	REAL250004679104	1	28	-2.0	-90.36	272.39	-0.11	-90.47
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004679563	0	33	-2.0	-83.99	281.21	0.87	-83.12
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004679563	1	33	-2.0	-84.00	281.15	0.85	-83.15
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004679563	1	33	-2.0	-83.97	281.27	0.89	-83.08
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004679563	1	33	-2.0	-83.98	281.21	0.86	-83.12
CC(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004679762	0	31	-2.0	-92.88	280.97	1.13	-91.75
CC(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004679762	1	31	-2.0	-92.87	281.03	1.15	-91.72
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(Cl)=C1[O-]	REAL250004679770	0	26	-2.0	-84.11	253.47	1.18	-82.93
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(Cl)=C1[O-]	REAL250004679770	1	26	-2.0	-84.10	253.52	1.19	-82.91
N#CC1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004679771	0	27	-2.0	-81.16	259.12	1.02	-80.14
N#CC1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004679771	1	27	-2.0	-81.13	259.18	1.03	-80.10
O=C(CCC1=N[N-]N=N1)NC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL250004679835	0	28	-2.0	-79.68	265.64	1.28	-78.40
O=C(CCC1=NN=N[N-]1)NC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL250004679835	1	28	-2.0	-79.69	265.70	1.29	-78.40
CC(CN(C)C(=O)CCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL250004679876	0	32	-2.0	-85.92	276.93	0.52	-85.40
CC(CN(C)C(=O)CCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL250004679876	1	32	-2.0	-85.92	276.87	0.51	-85.41
CC(CN(C)C(=O)CCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL250004679876	1	32	-2.0	-85.88	276.98	0.54	-85.34
CC(CN(C)C(=O)CCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL250004679876	1	32	-2.0	-85.88	276.93	0.52	-85.36
CS(=O)(=O)[N-]C(=O)CCNC(=O)CCC1=N[N-]N=N1	REAL250004680042	0	31	-2.0	-94.28	294.42	-4.33	-98.61
CS(=O)(=O)[N-]C(=O)CCNC(=O)CCC1=NN=N[N-]1	REAL250004680042	1	31	-2.0	-94.28	294.48	-4.32	-98.60
O=C(CCC1=N[N-]N=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004680256	0	31	-2.0	-94.28	274.67	0.33	-93.95
O=C(CCC1=N[N-]N=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004680256	1	31	-2.0	-94.27	274.60	0.33	-93.94
O=C(CCC1=NN=N[N-]1)N1CCSCC1C1=NN=N[N-]1	REAL250004680256	1	31	-2.0	-94.27	274.73	0.34	-93.93
O=C(CCC1=NN=N[N-]1)N1CCSCC1C1=N[N-]N=N1	REAL250004680256	1	31	-2.0	-94.27	274.66	0.34	-93.93
O=C(CCC1=N[N-]N=N1)NCCC1=N[N-]C(=S)O1	REAL250004680282	0	27	-2.0	-84.94	267.73	-3.91	-88.85
O=C(CCC1=NN=N[N-]1)NCCC1=N[N-]C(=S)O1	REAL250004680282	1	27	-2.0	-84.91	267.79	-3.90	-88.81
O=C(CCC1=N[N-]N=N1)NC1=CC(F)=CC(Cl)=C1[O-]	REAL250004680315	0	26	-2.0	-79.89	259.87	1.23	-78.66
O=C(CCC1=NN=N[N-]1)NC1=CC(F)=CC(Cl)=C1[O-]	REAL250004680315	1	26	-2.0	-79.85	259.93	1.25	-78.60
O=C(C1=CC(=O)N[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004680555	0	30	-2.0	-88.17	257.09	-0.62	-88.79
O=C(C1=CC(=O)N[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004680555	1	30	-2.0	-88.15	257.14	-0.59	-88.74
O=C(C1=CC(=O)N[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004680702	0	30	-2.0	-88.17	257.09	-0.62	-88.79
O=C(C1=CC(=O)N[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004680702	1	30	-2.0	-88.15	257.14	-0.59	-88.74
CCN1[N-]C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL250004680782	0	36	-2.0	-87.72	301.84	2.02	-85.70
CCN1[N-]C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL250004680782	1	36	-2.0	-87.67	301.90	2.05	-85.62
O=C(C1=NNC(=O)[N-]C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004680912	0	31	-2.0	-87.46	269.21	-2.78	-90.24
O=C(C1=NNC(=O)[N-]C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004680912	1	31	-2.0	-87.43	269.27	-2.75	-90.18
O=C(C1=CC=C([O-])C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004681022	1	33	-2.0	-89.94	283.88	2.43	-87.51
O=C(C1=CC=C([O-])C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004681022	1	33	-2.0	-89.93	283.94	2.46	-87.47
O=C(C1=CC=C([O-])C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004681050	1	33	-2.0	-85.84	284.10	2.44	-83.40
O=C(C1=CC=C([O-])C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004681050	1	33	-2.0	-85.87	284.15	2.47	-83.40
O=C(C1=NC=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL250004681053	1	32	-2.0	-98.33	272.13	2.47	-95.86
O=C(C1=NC=CC=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL250004681053	1	32	-2.0	-98.37	272.18	2.50	-95.87
CC1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C([O-])=C1	REAL250004681062	1	35	-2.0	-100.12	293.57	3.11	-97.01
CC1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C([O-])=C1	REAL250004681062	1	35	-2.0	-100.15	293.63	3.14	-97.01
N#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[O-]	REAL250004681133	1	34	-2.0	-95.99	296.09	2.71	-93.28
N#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[O-]	REAL250004681133	1	34	-2.0	-95.99	296.15	2.74	-93.25
O=C(C1=C([O-])C=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004681154	0	33	-2.0	-99.67	287.76	2.61	-97.06
O=C(C1=C([O-])C=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004681154	1	33	-2.0	-99.67	287.82	2.64	-97.03
N#CC1=CC([O-])=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004681171	1	34	-2.0	-86.62	298.27	2.71	-83.91
N#CC1=CC([O-])=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004681171	1	34	-2.0	-86.59	298.33	2.74	-83.85
O=C(C1=CC([O-])=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004681269	0	30	-2.0	-94.48	267.71	1.26	-93.22
O=C(C1=CC([O-])=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004681269	1	30	-2.0	-94.46	267.77	1.29	-93.17
CN1[N-]C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL250004681311	0	33	-2.0	-90.19	280.19	1.11	-89.08
CN1[N-]C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL250004681311	1	33	-2.0	-90.21	280.25	1.14	-89.07
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004681553	0	36	-2.0	-94.95	302.65	1.63	-93.32
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004681553	1	36	-2.0	-94.95	302.71	1.65	-93.30
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004681553	1	36	-2.0	-94.99	302.71	1.64	-93.35
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004681553	1	36	-2.0	-94.94	302.76	1.67	-93.27
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004681559	0	33	-2.0	-84.00	281.15	0.85	-83.15
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004681559	1	33	-2.0	-83.99	281.21	0.87	-83.12
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004681559	1	33	-2.0	-83.98	281.21	0.86	-83.12
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004681559	1	33	-2.0	-83.97	281.27	0.89	-83.08
O=C(C1=C[N-]N=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004681871	0	31	-2.0	-85.54	270.69	0.89	-84.65
O=C(C1=C[N-]N=CC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004681871	1	31	-2.0	-85.53	270.75	0.92	-84.61
O=C(C1=CC=C(F)C([O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004681937	1	33	-2.0	-86.64	284.13	2.40	-84.24
O=C(C1=CC=C(F)C([O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004681937	1	33	-2.0	-86.66	284.19	2.43	-84.23
O=C(C1=CC=CC(F)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL250004681976	0	33	-2.0	-108.63	283.67	2.78	-105.85
O=C(C1=CC=CC(F)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL250004681976	1	33	-2.0	-108.56	283.73	2.80	-105.76
N#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL250004682113	0	33	-2.0	-92.95	297.03	0.78	-92.17
N#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL250004682113	1	33	-2.0	-92.98	297.09	0.80	-92.18
CN1C(=S)[N-]N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004682194	1	32	-2.0	-79.75	281.06	3.50	-76.25
CN1C(=S)[N-]N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004682194	1	32	-2.0	-79.76	281.12	3.52	-76.24
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004682513	0	34	-2.0	-81.32	289.40	-2.27	-83.59
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004682513	1	34	-2.0	-81.31	289.34	-2.28	-83.59
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004682513	1	34	-2.0	-81.32	289.40	-2.27	-83.59
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004682513	1	34	-2.0	-81.31	289.34	-2.28	-83.59
O=C(CCC1=N[N-]N=N1)NCCC1=NC(=O)O[N-]1	REAL250004682627	0	27	-2.0	-84.93	254.37	-2.39	-87.32
O=C(CCC1=NN=N[N-]1)NCCC1=NC(=O)O[N-]1	REAL250004682627	1	27	-2.0	-84.94	254.43	-2.38	-87.32
CCC(CC)(NC(=O)CCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL250004682811	0	35	-2.0	-77.77	287.01	0.52	-77.25
CCC(CC)(NC(=O)CCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL250004682811	1	35	-2.0	-77.77	286.94	0.51	-77.26
CCC(CC)(NC(=O)CCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL250004682811	1	35	-2.0	-77.74	287.06	0.54	-77.20
CCC(CC)(NC(=O)CCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL250004682811	1	35	-2.0	-77.73	287.00	0.52	-77.21
CN(CC1=N[N-]C(=O)O1)C(=O)CCC1=N[N-]N=N1	REAL250004682847	0	27	-2.0	-92.11	252.52	-4.12	-96.23
CN(CC1=N[N-]C(=O)O1)C(=O)CCC1=NN=N[N-]1	REAL250004682847	1	27	-2.0	-92.10	252.58	-4.11	-96.21
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=C([O-])C=C1F	REAL250004682866	0	26	-2.0	-81.17	260.89	1.15	-80.02
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=C([O-])C=C1F	REAL250004682866	1	26	-2.0	-81.18	260.95	1.16	-80.02
O=C(CCC1=N[N-]N=N1)N1CCC(C2=N[N-]C(=O)O2)CC1	REAL250004682951	1	34	-2.0	-87.82	292.68	-2.73	-90.55
O=C(CCC1=NN=N[N-]1)N1CCC(C2=N[N-]C(=O)O2)CC1	REAL250004682951	1	34	-2.0	-87.81	292.73	-2.71	-90.52
O=C(CCC1=N[N-]N=N1)NC1=CC=C([O-])C(F)=C1F	REAL250004682968	1	26	-2.0	-83.87	250.99	0.66	-83.21
O=C(CCC1=NN=N[N-]1)NC1=CC=C([O-])C(F)=C1F	REAL250004682968	1	26	-2.0	-83.84	251.04	0.68	-83.16
O=C(CCC1=N[N-]N=N1)NC1=C(C2=CC=CC=C2)[N-]NC1=O	REAL250004683189	0	33	-2.0	-94.57	296.02	1.67	-92.90
O=C(CCC1=NN=N[N-]1)NC1=C(C2=CC=CC=C2)[N-]NC1=O	REAL250004683189	1	33	-2.0	-94.57	296.08	1.68	-92.89
CCC(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004683210	0	34	-2.0	-92.76	301.28	1.92	-90.84
CCC(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004683210	1	34	-2.0	-92.78	301.34	1.94	-90.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(=O)N[N-]1	REAL250004683587	0	30	-2.0	-95.04	279.05	-0.04	-95.08
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(=O)N[N-]1	REAL250004683587	1	30	-2.0	-95.04	278.99	-0.06	-95.10
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(=O)N[N-]1	REAL250004683657	0	30	-2.0	-95.04	279.05	-0.04	-95.08
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(=O)N[N-]1	REAL250004683657	1	30	-2.0	-95.04	278.99	-0.06	-95.10
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC=CC=C1[O-]	REAL250004683810	0	32	-2.0	-95.96	291.12	3.30	-92.66
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC=CC=C1[O-]	REAL250004683810	1	32	-2.0	-95.94	291.07	3.27	-92.67
CN1[N-]C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC1=O	REAL250004683919	0	33	-2.0	-98.46	301.87	1.67	-96.79
CN1[N-]C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC1=O	REAL250004683919	1	33	-2.0	-98.45	301.81	1.65	-96.80
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL250004684025	0	33	-2.0	-81.31	299.68	1.63	-79.68
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL250004684025	1	33	-2.0	-81.30	299.74	1.64	-79.66
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL250004684025	1	33	-2.0	-81.29	299.62	1.60	-79.69
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL250004684025	1	33	-2.0	-81.29	299.68	1.62	-79.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(=O)N=C[N-]1	REAL250004684081	0	31	-2.0	-97.06	287.83	1.28	-95.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(=O)N=C[N-]1	REAL250004684081	1	31	-2.0	-97.03	287.78	1.26	-95.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C[N-]N=CC1=O	REAL250004684136	0	31	-2.0	-87.60	283.29	2.11	-85.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C[N-]N=CC1=O	REAL250004684136	1	31	-2.0	-87.56	283.23	2.09	-85.47
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C(F)=C1[O-]	REAL250004684338	0	26	-2.0	-84.05	250.78	0.72	-83.33
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C(F)=C1[O-]	REAL250004684338	1	26	-2.0	-84.12	250.83	0.74	-83.38
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=NC=CC=N1	REAL250004684537	0	27	-2.0	-100.92	261.72	-1.91	-102.83
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=NC=CC=N1	REAL250004684537	1	27	-2.0	-100.92	261.78	-1.90	-102.82
O=C(CCC1=N[N-]N=N1)NC1=CC(F)=CC(F)=C1[O-]	REAL250004684559	1	26	-2.0	-82.26	250.07	0.74	-81.52
O=C(CCC1=NN=N[N-]1)NC1=CC(F)=CC(F)=C1[O-]	REAL250004684559	1	26	-2.0	-82.29	250.12	0.76	-81.53
CC(C)(C)C(NC(=O)CCC1=N[N-]N=N1)C1=NC(=O)O[N-]1	REAL250004684651	0	36	-2.0	-80.58	298.69	-0.54	-81.12
CC(C)(C)C(NC(=O)CCC1=NN=N[N-]1)C1=NC(=O)O[N-]1	REAL250004684651	1	36	-2.0	-80.63	298.75	-0.52	-81.15
CN(CC1=NC(=O)O[N-]1)C(=O)CCC1=N[N-]N=N1	REAL250004684723	0	27	-2.0	-89.61	251.32	-0.93	-90.54
CN(CC1=NC(=O)O[N-]1)C(=O)CCC1=NN=N[N-]1	REAL250004684723	1	27	-2.0	-89.62	251.38	-0.93	-90.55
CSC1=NC(CNC(=O)CCC2=N[N-]N=N2)=CC(=O)[N-]1	REAL250004684746	1	31	-2.0	-84.28	296.75	-1.27	-85.55
CSC1=NC(CNC(=O)CCC2=NN=N[N-]2)=CC(=O)[N-]1	REAL250004684746	1	31	-2.0	-84.30	296.81	-1.26	-85.56
CCOC(=O)C(C)(C)O[N-]C(=O)CCC1=NN=N[N-]1	REAL250004684758	1	34	-2.0	-98.92	303.29	3.33	-95.59
N#CC1=C(C#N)[N-]C(NC(=O)CCC2=N[N-]N=N2)=N1	REAL250004684772	0	24	-2.0	-75.61	251.43	2.20	-73.41
N#CC1=C(C#N)[N-]C(NC(=O)CCC2=NN=N[N-]2)=N1	REAL250004684772	1	24	-2.0	-75.65	251.49	2.22	-73.43
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2CC2)S1	REAL250004684809	1	27	-2.0	-95.33	263.09	1.20	-94.13
CC(C)CC1=NSC([N-]C(=O)CCC2=N[N-]N=N2)=N1	REAL250004684962	0	32	-2.0	-86.00	290.86	1.70	-84.30
CC(C)CC1=NSC([N-]C(=O)CCC2=NN=N[N-]2)=N1	REAL250004684962	1	32	-2.0	-85.99	290.92	1.71	-84.28
O=C(CCC1=N[N-]N=N1)NNC(=O)C1=CC=NN1	REAL250004685065	0	26	-2.0	-99.64	251.30	-2.89	-102.53
O=C(CCC1=NN=N[N-]1)NNC(=O)C1=CC=NN1	REAL250004685065	1	26	-2.0	-99.63	251.36	-2.87	-102.50
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=NNC=C1	REAL250004685065	1	26	-2.0	-99.64	251.30	-2.89	-102.53
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=NNC=C1	REAL250004685065	1	26	-2.0	-99.63	251.36	-2.87	-102.50
CN1C=C(C(=O)[N-]NC(=O)CCC2=N[N-]N=N2)N=N1	REAL250004685094	0	28	-2.0	-97.98	269.61	-3.03	-101.01
CN1C=C(C(=O)[N-]NC(=O)CCC2=NN=N[N-]2)N=N1	REAL250004685094	1	28	-2.0	-97.96	269.67	-3.02	-100.98
CC(C)CCC1=NN=C([N-]C(=O)CCC2=NN=N[N-]2)S1	REAL250004685098	1	35	-2.0	-93.99	313.78	2.41	-91.58
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=CC(Cl)=N1	REAL250004685134	0	28	-2.0	-96.82	282.96	-0.68	-97.50
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CN1C(=O)[N-]C(SCCC2=N[N-]N=N2)=C(C#N)C1=O	REAL250004698497	1	26	-2.0	-79.65	263.62	0.65	-79.00
O=[N+]([O-])C1=NC=C(SCCC2=N[N-]N=N2)C=C1[O-]	REAL250004698558	0	24	-2.0	-82.41	246.08	3.69	-78.72
O=[N+]([O-])C1=NC=C(SCCC2=NN=N[N-]2)C=C1[O-]	REAL250004698558	1	24	-2.0	-82.40	246.14	3.71	-78.69
CN1C(=O)[N-]C(N2CCC(C3=NN=N[N-]3)C2)=C(C#N)C1=O	REAL250004698874	0	31	-2.0	-78.35	274.09	0.70	-77.65
CN1C(=O)[N-]C(N2CCC(C3=N[N-]N=N3)C2)=C(C#N)C1=O	REAL250004698874	1	31	-2.0	-78.32	274.02	0.68	-77.64
O=[N+]([O-])C1=NC=C(N2CCC(C3=N[N-]N=N3)C2)C=C1[O-]	REAL250004698923	0	29	-2.0	-84.73	258.57	1.71	-83.02
O=[N+]([O-])C1=NC=C(N2CCC(C3=NN=N[N-]3)C2)C=C1[O-]	REAL250004698923	1	29	-2.0	-84.77	258.63	1.73	-83.04
O=S(=O)(C1=NC=C[N-]1)N1CCC(C2=N[N-]N=N2)C1	REAL250004699161	0	27	-2.0	-88.24	254.03	-2.21	-90.45
O=S(=O)(C1=NC=C[N-]1)N1CCC(C2=NN=N[N-]2)C1	REAL250004699161	1	27	-2.0	-88.26	254.10	-2.20	-90.46
O=S(=O)(C1=CC=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL250004699188	0	31	-2.0	-104.64	277.92	0.26	-104.38
O=S(=O)(C1=CC=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL250004699188	1	31	-2.0	-104.64	277.99	0.26	-104.38
O=S(=O)(C1=NC=C[N-]1)N1CCC(C2=N[N-]N=N2)C1	REAL250004699237	0	27	-2.0	-88.24	254.03	-2.21	-90.45
O=S(=O)(C1=NC=C[N-]1)N1CCC(C2=NN=N[N-]2)C1	REAL250004699237	1	27	-2.0	-88.26	254.10	-2.20	-90.46
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(=O)N=C[N-]1	REAL250004699323	0	31	-2.0	-97.06	287.83	1.28	-95.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(=O)N=C[N-]1	REAL250004699323	1	31	-2.0	-97.03	287.78	1.26	-95.77
CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL250004699342	1	33	-2.0	-88.46	289.05	2.21	-86.25
CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL250004699342	1	33	-2.0	-88.45	289.11	2.22	-86.23
CC1=C(C)OC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL250004699343	1	36	-2.0	-96.91	301.83	0.73	-96.18
CC1=C(C)OC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL250004699343	1	36	-2.0	-96.91	301.89	0.75	-96.16
CC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004699396	1	30	-2.0	-108.26	273.26	1.09	-107.17
CC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004699396	1	30	-2.0	-108.30	273.32	1.12	-107.18
CC1=C(C)OC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004699397	1	33	-2.0	-121.03	287.30	-0.89	-121.92
CC1=C(C)OC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004699397	1	33	-2.0	-121.01	287.36	-0.87	-121.88
CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL250004699464	1	30	-2.0	-88.65	274.04	1.15	-87.50
CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL250004699464	1	30	-2.0	-88.64	274.11	1.17	-87.47
CC1=C(C)OC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL250004699465	1	33	-2.0	-99.29	288.05	-0.85	-100.14
CC1=C(C)OC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL250004699465	1	33	-2.0	-99.31	288.13	-0.84	-100.15
CC1=NOC([N-]C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL250004699560	1	33	-2.0	-86.60	281.72	-1.73	-88.33
CC1=NOC([N-]C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL250004699560	1	33	-2.0	-86.61	281.79	-1.71	-88.32
CC1=NOC([N-]C(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL250004699761	1	36	-2.0	-93.30	294.54	-1.36	-94.66
CC1=NOC([N-]C(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL250004699761	1	36	-2.0	-93.30	294.62	-1.35	-94.65
O=C(CN1CCC(C2=NN=N[N-]2)C1)[N-]C1=NN=CS1	REAL250004700040	0	29	-2.0	-87.13	267.90	-1.94	-89.07
O=C(CN1CCC(C2=N[N-]N=N2)C1)[N-]C1=NN=CS1	REAL250004700040	1	29	-2.0	-87.16	267.83	-1.95	-89.11
CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL250004701021	1	33	-2.0	-88.46	289.05	2.21	-86.25
CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL250004701021	1	33	-2.0	-88.45	289.11	2.22	-86.23
CC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004701022	1	30	-2.0	-108.26	273.26	1.09	-107.17
CC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004701022	1	30	-2.0	-108.30	273.32	1.12	-107.18
CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL250004701023	1	30	-2.0	-88.65	274.04	1.15	-87.50
CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL250004701023	1	30	-2.0	-88.64	274.11	1.17	-87.47
CC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL250004701040	0	32	-2.0	-94.49	286.28	1.59	-92.90
CC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL250004701040	1	32	-2.0	-94.54	286.34	1.61	-92.93
CC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004701041	0	29	-2.0	-117.86	270.45	0.47	-117.39
CC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004701041	1	29	-2.0	-117.86	270.51	0.50	-117.36
CC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL250004701042	0	29	-2.0	-96.21	271.20	0.52	-95.69
CC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL250004701042	1	29	-2.0	-96.24	271.27	0.54	-95.70
CCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004701075	0	32	-2.0	-118.32	291.94	1.23	-117.09
CCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004701075	1	32	-2.0	-118.31	291.99	1.25	-117.06
CCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL250004701076	0	32	-2.0	-96.53	292.66	1.29	-95.24
CCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL250004701076	1	32	-2.0	-96.49	292.74	1.30	-95.19
O=C([N-]C1=NC=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL250004701131	1	30	-2.0	-90.74	269.36	2.06	-88.68
O=C([N-]C1=NC=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL250004701131	1	30	-2.0	-90.72	269.31	2.05	-88.67
O=C([N-]C1=NC=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004701132	1	27	-2.0	-113.10	253.51	0.93	-112.17
O=C([N-]C1=NC=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004701132	1	27	-2.0	-113.13	253.57	0.96	-112.17
O=C([N-]C1=NC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL250004701134	1	27	-2.0	-86.77	252.27	0.57	-86.20
O=C([N-]C1=NC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL250004701134	1	27	-2.0	-86.79	252.20	0.56	-86.23
O=C([N-]C1=NC=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL250004701135	1	33	-2.0	-97.31	282.63	2.67	-94.64
O=C([N-]C1=NC=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL250004701135	1	33	-2.0	-97.32	282.57	2.65	-94.67
CC1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL250004701278	0	32	-2.0	-90.22	276.34	0.20	-90.02
CC1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL250004701278	1	32	-2.0	-90.23	276.39	0.21	-90.02
CC1=NOC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004701279	0	29	-2.0	-111.38	260.51	-1.01	-112.39
CC1=NOC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004701279	1	29	-2.0	-111.39	260.57	-0.99	-112.38
CSCC[C@H](NC(=O)[N-]C1=NC(C)=NO1)C1=N[N-]N=N1	REAL250004701280	0	32	-2.0	-101.15	302.29	-1.26	-102.41
CSCC[C@H](NC(=O)[N-]C1=NC(C)=NO1)C1=NN=N[N-]1	REAL250004701280	1	32	-2.0	-101.15	302.34	-1.25	-102.40
CC1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL250004701281	0	29	-2.0	-90.43	261.27	-0.95	-91.38
CC1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL250004701281	1	29	-2.0	-90.42	261.34	-0.93	-91.35
CC1=NOC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL250004701282	0	35	-2.0	-96.19	289.34	0.61	-95.58
CC1=NOC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL250004701282	1	35	-2.0	-96.18	289.40	0.62	-95.56
O=C([N-]C1=CN=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL250004701342	0	29	-2.0	-80.01	262.96	0.12	-79.89
O=C([N-]C1=CN=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL250004701342	1	29	-2.0	-80.01	262.90	0.10	-79.91
O=C([N-]C1=CN=NS1)N1CCCC1C1=N[N-]N=N1	REAL250004701343	0	26	-2.0	-98.67	247.08	-1.03	-99.70
O=C([N-]C1=CN=NS1)N1CCCC1C1=NN=N[N-]1	REAL250004701343	1	26	-2.0	-98.66	247.13	-1.01	-99.67
O=C([N-]C1=CN=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL250004701344	0	26	-2.0	-80.07	247.90	-0.96	-81.03
O=C([N-]C1=CN=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL250004701344	1	26	-2.0	-80.10	247.82	-0.97	-81.07
O=C([N-]C1=CN=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL250004701345	0	32	-2.0	-85.62	275.15	0.78	-84.84
O=C([N-]C1=CN=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL250004701345	1	32	-2.0	-85.59	275.09	0.78	-84.81
CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL250004701374	1	33	-2.0	-88.46	289.05	2.21	-86.25
CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL250004701374	1	33	-2.0	-88.45	289.11	2.22	-86.23
CC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004701375	1	30	-2.0	-108.26	273.26	1.09	-107.17
CC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004701375	1	30	-2.0	-108.30	273.32	1.12	-107.18
CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL250004701376	1	30	-2.0	-88.65	274.04	1.15	-87.50
CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL250004701376	1	30	-2.0	-88.64	274.11	1.17	-87.47
O=C([N-]C1=NSN=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL250004701405	1	29	-2.0	-86.65	263.39	0.80	-85.85
O=C([N-]C1=NSN=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL250004701405	1	29	-2.0	-86.65	263.33	0.78	-85.87
O=C([N-]C1=NSN=C1)N1CCCC1C1=N[N-]N=N1	REAL250004701406	1	26	-2.0	-108.24	247.50	-0.35	-108.59
O=C([N-]C1=NSN=C1)N1CCCC1C1=NN=N[N-]1	REAL250004701406	1	26	-2.0	-108.24	247.56	-0.32	-108.56
O=C([N-]C1=NSN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL250004701407	1	26	-2.0	-88.19	248.31	-0.28	-88.47
O=C([N-]C1=NSN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL250004701407	1	26	-2.0	-88.17	248.24	-0.29	-88.46
O=C([N-]C1=NSN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL250004701408	1	32	-2.0	-93.59	276.39	1.36	-92.23
O=C([N-]C1=NSN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL250004701408	1	32	-2.0	-93.60	276.33	1.35	-92.25
CCC1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL250004701445	0	35	-2.0	-90.79	297.82	0.80	-89.99
CCC1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL250004701445	1	35	-2.0	-90.79	297.88	0.82	-89.97
CCC1=NOC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004701446	0	32	-2.0	-111.93	281.99	-0.40	-112.33
CCC1=NOC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004701446	1	32	-2.0	-111.94	282.05	-0.38	-112.32
CCC1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL250004701447	0	32	-2.0	-90.93	282.75	-0.34	-91.27
CCC1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL250004701447	1	32	-2.0	-90.97	282.83	-0.32	-91.29
CC(C)C1=NOC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004701473	0	35	-2.0	-113.01	302.84	0.05	-112.96
CC(C)C1=NOC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004701473	1	35	-2.0	-113.02	302.89	0.08	-112.94
CC(C)C1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL250004701474	0	35	-2.0	-91.80	303.57	0.12	-91.68
CC(C)C1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL250004701474	1	35	-2.0	-91.77	303.64	0.14	-91.63
CCC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004701475	1	33	-2.0	-108.78	294.41	1.88	-106.90
CCC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004701475	1	33	-2.0	-108.76	294.47	1.91	-106.85
CCC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL250004701476	1	33	-2.0	-88.93	295.19	1.94	-86.99
CCC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL250004701476	1	33	-2.0	-88.92	295.26	1.96	-86.96
N#CC1=CN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004701688	1	28	-2.0	-102.35	274.71	1.52	-100.83
N#CC1=CN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004701688	1	28	-2.0	-102.35	274.77	1.54	-100.81
N#CC1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL250004701689	1	28	-2.0	-83.40	275.57	1.60	-81.80
N#CC1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL250004701689	1	28	-2.0	-83.40	275.49	1.59	-81.81
COCC1=NOC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004701708	0	33	-2.0	-113.30	294.19	-2.04	-115.34
COCC1=NOC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004701708	1	33	-2.0	-113.28	294.25	-2.01	-115.29
COCC1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL250004701709	0	33	-2.0	-91.95	294.92	-1.97	-93.92
COCC1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL250004701709	1	33	-2.0	-91.99	295.00	-1.96	-93.95
CCO[N-]C(=O)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL250004702102	0	38	-2.0	-89.71	319.30	0.44	-89.27
CCO[N-]C(=O)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL250004702102	1	38	-2.0	-89.72	319.36	0.46	-89.26
CO[N-]C(=O)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL250004702199	0	35	-2.0	-88.54	297.44	-0.50	-89.04
CO[N-]C(=O)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL250004702199	1	35	-2.0	-88.54	297.50	-0.48	-89.02
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O=C([O-])[C@H]1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702329	0	31	-2.0	-91.34	264.20	3.38	-87.96
O=C([O-])[C@H]1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702329	1	31	-2.0	-91.34	264.26	3.39	-87.95
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O=C(CCC1=NN=N[N-]1)NC1(C(=O)[O-])CCCC1	REAL250004702333	1	31	-2.0	-102.05	262.36	2.88	-99.17
O=C(CCC1=N[N-]N=N1)NC1(C(=O)[O-])CCCCC1	REAL250004702334	0	34	-2.0	-102.03	276.83	3.94	-98.09
O=C(CCC1=NN=N[N-]1)NC1(C(=O)[O-])CCCCC1	REAL250004702334	1	34	-2.0	-101.98	276.89	3.95	-98.03
O=C([O-])C1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702335	0	31	-2.0	-107.49	258.45	4.46	-103.03
O=C([O-])C1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702335	1	31	-2.0	-107.46	258.51	4.47	-102.99
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL250004702336	0	28	-2.0	-90.96	272.64	3.53	-87.43
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL250004702336	1	28	-2.0	-90.93	272.70	3.55	-87.38
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004702337	0	28	-2.0	-91.95	260.06	3.11	-88.84
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004702337	1	28	-2.0	-91.95	260.12	3.13	-88.82
CC1=C(C(=O)[O-])SC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702338	0	28	-2.0	-95.35	267.22	2.89	-92.46
CC1=C(C(=O)[O-])SC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702338	1	28	-2.0	-95.30	267.28	2.91	-92.39
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004702339	0	28	-2.0	-91.95	260.06	3.11	-88.84
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004702339	1	28	-2.0	-91.95	260.12	3.13	-88.82
O=C([O-])C1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702340	0	31	-2.0	-107.49	258.45	4.46	-103.03
O=C([O-])C1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702340	1	31	-2.0	-107.46	258.51	4.47	-102.99
O=C([O-])C1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702341	0	31	-2.0	-107.49	258.45	4.46	-103.03
O=C([O-])C1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702341	1	31	-2.0	-107.46	258.51	4.47	-102.99
CC(C)CN(CCC(=O)[O-])C(=O)CCC1=N[N-]N=N1	REAL250004702342	0	36	-2.0	-90.84	299.43	4.62	-86.22
CC(C)CN(CCC(=O)[O-])C(=O)CCC1=NN=N[N-]1	REAL250004702342	1	36	-2.0	-90.88	299.48	4.63	-86.25
CCCC(C)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702343	0	33	-2.0	-99.23	272.95	2.87	-96.36
CCCC(C)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702343	1	33	-2.0	-99.19	273.00	2.89	-96.30
O=C([O-])C(CC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL250004702344	0	34	-2.0	-97.20	305.73	4.55	-92.65
O=C([O-])C(CC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL250004702344	1	34	-2.0	-97.20	305.78	4.56	-92.64
O=C([O-])CCN(C(=O)CCC1=N[N-]N=N1)C1CC1	REAL250004702345	0	31	-2.0	-91.41	270.58	3.81	-87.60
O=C([O-])CCN(C(=O)CCC1=NN=N[N-]1)C1CC1	REAL250004702345	1	31	-2.0	-91.38	270.63	3.82	-87.56
O=C([O-])CCN(CC1CC1)C(=O)CCC1=N[N-]N=N1	REAL250004702346	0	34	-2.0	-90.63	295.91	4.92	-85.71
O=C([O-])CCN(CC1CC1)C(=O)CCC1=NN=N[N-]1	REAL250004702346	1	34	-2.0	-90.63	295.96	4.94	-85.69
CC(C)CN(CC(=O)[O-])C(=O)CCC1=N[N-]N=N1	REAL250004702347	0	33	-2.0	-96.23	281.64	4.34	-91.89
CC(C)CN(CC(=O)[O-])C(=O)CCC1=NN=N[N-]1	REAL250004702347	1	33	-2.0	-96.17	281.70	4.36	-91.81
O=C(CCC1=N[N-]N=N1)NC1CCC(C(=O)[O-])CC1	REAL250004702348	0	34	-2.0	-92.07	284.28	3.35	-88.72
O=C(CCC1=NN=N[N-]1)NC1CCC(C(=O)[O-])CC1	REAL250004702348	1	34	-2.0	-92.11	284.34	3.37	-88.74
O=C([O-])CN1C=CC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL250004702349	0	28	-2.0	-92.00	262.01	2.28	-89.72
O=C([O-])CN1C=CC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL250004702349	1	28	-2.0	-92.01	262.06	2.30	-89.71
O=C([O-])C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004702350	0	31	-2.0	-90.30	286.07	3.27	-87.03
O=C([O-])C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004702350	1	31	-2.0	-90.31	286.13	3.28	-87.03
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL250004702351	0	31	-2.0	-90.54	276.06	3.68	-86.86
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL250004702351	1	31	-2.0	-90.52	276.12	3.69	-86.83
O=C([O-])CSCCNC(=O)CCC1=N[N-]N=N1	REAL250004702352	0	28	-2.0	-87.77	271.34	1.73	-86.04
O=C([O-])CSCCNC(=O)CCC1=NN=N[N-]1	REAL250004702352	1	28	-2.0	-87.82	271.40	1.74	-86.08
O=C(CCC1=N[N-]N=N1)NC1CCC(C(=O)[O-])CC1	REAL250004702353	0	34	-2.0	-92.07	284.28	3.35	-88.72
O=C(CCC1=NN=N[N-]1)NC1CCC(C(=O)[O-])CC1	REAL250004702353	1	34	-2.0	-92.11	284.34	3.37	-88.74
O=C([O-])C1=CSC(CNC(=O)CCC2=N[N-]N=N2)=N1	REAL250004702354	0	27	-2.0	-94.56	272.25	0.31	-94.25
O=C([O-])C1=CSC(CNC(=O)CCC2=NN=N[N-]2)=N1	REAL250004702354	1	27	-2.0	-94.52	272.31	0.32	-94.20
O=C([O-])CC1CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL250004702355	0	32	-2.0	-91.30	275.78	2.41	-88.89
O=C([O-])CC1CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL250004702355	1	32	-2.0	-91.31	275.83	2.42	-88.89
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCC1	REAL250004702356	0	31	-2.0	-90.56	269.70	2.35	-88.21
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCC1	REAL250004702356	1	31	-2.0	-90.56	269.75	2.36	-88.20
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(Cl)=C1	REAL250004702357	0	28	-2.0	-97.76	277.00	3.65	-94.11
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(Cl)=C1	REAL250004702357	1	28	-2.0	-97.79	277.06	3.66	-94.13
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCCC1	REAL250004702358	0	34	-2.0	-92.09	286.77	3.20	-88.89
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCCC1	REAL250004702358	1	34	-2.0	-92.13	286.83	3.21	-88.92
CC(C)CC(CNC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702359	0	36	-2.0	-92.53	306.08	3.11	-89.42
CC(C)CC(CNC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702359	1	36	-2.0	-92.52	306.14	3.12	-89.40
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004702360	0	34	-2.0	-94.11	302.76	3.92	-90.19
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004702360	1	34	-2.0	-94.14	302.82	3.93	-90.21
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL250004702361	0	31	-2.0	-104.06	275.78	3.67	-100.39
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL250004702361	1	31	-2.0	-104.04	275.83	3.69	-100.35
O=C([O-])C1(F)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702362	0	28	-2.0	-87.57	254.99	2.62	-84.95
O=C([O-])C1(F)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702362	1	28	-2.0	-87.60	255.05	2.64	-84.96
CC1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL250004702363	0	31	-2.0	-105.50	277.75	3.98	-101.52
CC1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL250004702363	1	31	-2.0	-105.49	277.81	3.99	-101.50
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1	REAL250004702364	0	28	-2.0	-104.50	259.99	3.15	-101.35
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1	REAL250004702364	1	28	-2.0	-104.51	260.04	3.16	-101.35
O=C([O-])CCCCCNC(=O)CCC1=N[N-]N=N1	REAL250004702365	0	33	-2.0	-88.41	291.31	2.71	-85.70
O=C([O-])CCCCCNC(=O)CCC1=NN=N[N-]1	REAL250004702365	1	33	-2.0	-88.43	291.37	2.73	-85.70
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCC2=N[N-]N=N2)O1	REAL250004702366	0	34	-2.0	-101.92	305.22	4.35	-97.57
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCC2=NN=N[N-]2)O1	REAL250004702366	1	34	-2.0	-101.89	305.28	4.37	-97.52
O=C([O-])CC1(NC(=O)CCC2=N[N-]N=N2)CCOCC1	REAL250004702367	0	35	-2.0	-94.13	284.15	1.92	-92.21
O=C([O-])CC1(NC(=O)CCC2=NN=N[N-]2)CCOCC1	REAL250004702367	1	35	-2.0	-94.17	284.21	1.94	-92.23
CC(C)(C)[C@H](NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702368	0	33	-2.0	-97.79	278.09	2.65	-95.14
CC(C)(C)[C@H](NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702368	1	33	-2.0	-97.79	278.15	2.66	-95.13
CCC(C)(CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702369	0	33	-2.0	-85.35	267.76	2.33	-83.02
CCC(C)(CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702369	1	33	-2.0	-85.33	267.82	2.34	-82.99
O=C([O-])C1COCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702370	0	29	-2.0	-102.72	249.56	2.06	-100.66
O=C([O-])C1COCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702370	1	29	-2.0	-102.73	249.62	2.08	-100.65
O=C([O-])CC1(NC(=O)CCC2=N[N-]N=N2)CCCCC1	REAL250004702371	0	37	-2.0	-96.78	292.48	4.41	-92.37
O=C([O-])CC1(NC(=O)CCC2=NN=N[N-]2)CCCCC1	REAL250004702371	1	37	-2.0	-96.76	292.54	4.42	-92.34
O=C([O-])CC1(NC(=O)CCC2=N[N-]N=N2)CCC1	REAL250004702372	0	31	-2.0	-95.08	268.54	2.51	-92.57
O=C([O-])CC1(NC(=O)CCC2=NN=N[N-]2)CCC1	REAL250004702372	1	31	-2.0	-95.09	268.60	2.52	-92.57
O=C([O-])CC1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL250004702373	0	31	-2.0	-90.98	278.31	4.09	-86.89
O=C([O-])CC1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL250004702373	1	31	-2.0	-90.96	278.37	4.10	-86.86
O=C([O-])CN(CCC(F)(F)F)C(=O)CCC1=N[N-]N=N1	REAL250004702374	0	30	-2.0	-93.58	285.13	4.21	-89.37
O=C([O-])CN(CCC(F)(F)F)C(=O)CCC1=NN=N[N-]1	REAL250004702374	1	30	-2.0	-93.56	285.19	4.22	-89.34
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CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)CCC1=NN=N[N-]1	REAL250004702380	1	34	-2.0	-97.43	303.28	5.39	-92.04
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CC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702384	1	31	-2.0	-87.82	269.33	3.12	-84.70
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COCCN(CCC(=O)[O-])C(=O)CCC1=N[N-]N=N1	REAL250004702392	0	34	-2.0	-95.53	296.25	2.55	-92.98
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O=C([O-])CC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702401	1	31	-2.0	-87.97	282.48	3.93	-84.04
CCCCCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702402	0	36	-2.0	-96.17	311.79	3.87	-92.30
CCCCCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702402	1	36	-2.0	-96.13	311.85	3.88	-92.25
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL250004702403	0	31	-2.0	-104.58	287.91	3.68	-100.90
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL250004702403	1	31	-2.0	-104.54	287.96	3.70	-100.84
CC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL250004702404	0	34	-2.0	-100.51	304.24	4.34	-96.17
CC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL250004702404	1	34	-2.0	-100.60	304.29	4.35	-96.25
COCC(C)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702405	0	31	-2.0	-102.21	269.69	1.40	-100.81
COCC(C)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702405	1	31	-2.0	-102.17	269.75	1.42	-100.75
COCC(C)(CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702406	0	34	-2.0	-94.51	285.97	1.18	-93.33
COCC(C)(CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702406	1	34	-2.0	-94.52	286.03	1.19	-93.33
CCC(CC)(CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702407	0	36	-2.0	-85.60	284.43	3.22	-82.38
CCC(CC)(CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702407	1	36	-2.0	-85.61	284.49	3.24	-82.37
O=C(CCC1=N[N-]N=N1)NC1(C(=O)[O-])CCOC1	REAL250004702408	0	29	-2.0	-97.61	252.95	0.29	-97.32
O=C(CCC1=NN=N[N-]1)NC1(C(=O)[O-])CCOC1	REAL250004702408	1	29	-2.0	-97.62	253.01	0.30	-97.32
CCC(CC)(CNC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702409	0	36	-2.0	-90.20	289.20	2.98	-87.22
CCC(CC)(CNC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702409	1	36	-2.0	-90.16	289.25	3.00	-87.16
C=CC(C)C(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702410	0	31	-2.0	-96.99	271.81	2.39	-94.60
C=CC(C)C(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702410	1	31	-2.0	-96.97	271.87	2.41	-94.56
O=C([O-])C1=CC=C(F)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702411	0	28	-2.0	-96.35	265.05	3.27	-93.08
O=C([O-])C1=CC=C(F)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702411	1	28	-2.0	-96.35	265.11	3.28	-93.07
CC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1CC1	REAL250004702412	0	31	-2.0	-100.58	260.94	2.87	-97.71
CC(NC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1CC1	REAL250004702412	1	31	-2.0	-100.58	261.00	2.88	-97.70
O=C([O-])CCC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004702413	0	34	-2.0	-88.56	303.52	4.73	-83.83
O=C([O-])CCC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004702413	1	34	-2.0	-88.52	303.58	4.74	-83.78
CCC1CCC(NC(=O)CCC2=N[N-]N=N2)(C(=O)[O-])CC1	REAL250004702414	0	40	-2.0	-101.96	315.88	5.19	-96.77
CCC1CCC(NC(=O)CCC2=NN=N[N-]2)(C(=O)[O-])CC1	REAL250004702414	1	40	-2.0	-101.97	315.94	5.20	-96.77
CC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702415	0	34	-2.0	-90.86	276.93	3.65	-87.21
CC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702415	1	34	-2.0	-90.85	276.99	3.66	-87.19
O=C([O-])C1=CC(CCNC(=O)CCC2=N[N-]N=N2)=CC=C1	REAL250004702416	0	34	-2.0	-97.32	307.58	4.02	-93.30
O=C([O-])C1=CC(CCNC(=O)CCC2=NN=N[N-]2)=CC=C1	REAL250004702416	1	34	-2.0	-97.34	307.64	4.04	-93.30
O=C([O-])CCCCCCCNC(=O)CCC1=N[N-]N=N1	REAL250004702417	0	39	-2.0	-88.46	334.31	4.28	-84.18
O=C([O-])CCCCCCCNC(=O)CCC1=NN=N[N-]1	REAL250004702417	1	39	-2.0	-88.47	334.36	4.29	-84.18
O=C([O-])CCCCCCCNC(=O)CCC1=N[N-]N=N1	REAL250004702418	0	39	-2.0	-88.46	334.31	4.28	-84.18
O=C([O-])CCCCCCCNC(=O)CCC1=NN=N[N-]1	REAL250004702418	1	39	-2.0	-88.47	334.36	4.29	-84.18
O=C([O-])CCC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702419	0	37	-2.0	-91.39	303.88	4.78	-86.61
O=C([O-])CCC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702419	1	37	-2.0	-91.40	303.94	4.79	-86.61
CC(C)(C(=O)[O-])C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702420	0	40	-2.0	-103.53	313.23	4.81	-98.72
CC(C)(C(=O)[O-])C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702420	1	40	-2.0	-103.55	313.29	4.83	-98.72
O=C([O-])COC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702421	0	32	-2.0	-99.42	291.31	3.41	-96.01
O=C([O-])COC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702421	1	32	-2.0	-99.44	291.37	3.43	-96.01
CCCCCCC(C)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702422	0	42	-2.0	-99.66	337.44	5.21	-94.45
CCCCCCC(C)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702422	1	42	-2.0	-99.67	337.50	5.22	-94.45
O=C([O-])C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)O1	REAL250004702423	0	28	-2.0	-90.28	268.88	1.76	-88.52
O=C([O-])C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)O1	REAL250004702423	1	28	-2.0	-90.25	268.94	1.77	-88.48
O=C([O-])CCC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702424	0	37	-2.0	-90.03	303.53	4.79	-85.24
O=C([O-])CCC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702424	1	37	-2.0	-89.99	303.59	4.81	-85.18
CCCCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702425	0	33	-2.0	-96.16	290.29	3.09	-93.07
CCCCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702425	1	33	-2.0	-96.19	290.35	3.10	-93.09
CC1=C(C(=O)[O-])SC(CNC(=O)CCC2=N[N-]N=N2)=N1	REAL250004702426	0	30	-2.0	-85.60	289.76	1.06	-84.54
CC1=C(C(=O)[O-])SC(CNC(=O)CCC2=NN=N[N-]2)=N1	REAL250004702426	1	30	-2.0	-85.64	289.82	1.07	-84.57
O=C([O-])COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004702427	0	32	-2.0	-89.51	291.06	3.41	-86.10
O=C([O-])COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004702427	1	32	-2.0	-89.52	291.12	3.43	-86.09
CC(CN(C(=O)CCC1=N[N-]N=N1)C1CC1)C(=O)[O-]	REAL250004702428	0	34	-2.0	-93.32	284.28	4.36	-88.96
CC(CN(C(=O)CCC1=NN=N[N-]1)C1CC1)C(=O)[O-]	REAL250004702428	1	34	-2.0	-93.34	284.34	4.37	-88.97
O=C([O-])[C@H]1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702429	0	31	-2.0	-107.61	258.33	4.52	-103.09
O=C([O-])[C@H]1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702429	1	31	-2.0	-107.63	258.39	4.54	-103.09
O=C(CCC1=N[N-]N=N1)NC1(C(=O)[O-])CCCCCC1	REAL250004702430	0	37	-2.0	-102.52	282.46	4.87	-97.65
O=C(CCC1=NN=N[N-]1)NC1(C(=O)[O-])CCCCCC1	REAL250004702430	1	37	-2.0	-102.48	282.52	4.88	-97.60
O=C([O-])C1=CSC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702431	0	25	-2.0	-89.23	251.36	2.24	-86.99
O=C([O-])C1=CSC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702431	1	25	-2.0	-89.24	251.42	2.25	-86.99
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCOCC1	REAL250004702432	0	35	-2.0	-88.89	289.39	1.13	-87.76
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCOCC1	REAL250004702432	1	35	-2.0	-88.90	289.45	1.14	-87.76
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCCCC1	REAL250004702433	0	37	-2.0	-92.26	297.07	3.66	-88.60
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCCCC1	REAL250004702433	1	37	-2.0	-92.22	297.13	3.68	-88.54
CC1(NC(=O)CCC2=N[N-]N=N2)CCCCC1C(=O)[O-]	REAL250004702434	0	37	-2.0	-91.09	289.60	3.20	-87.89
CC1(NC(=O)CCC2=NN=N[N-]2)CCCCC1C(=O)[O-]	REAL250004702434	1	37	-2.0	-91.05	289.66	3.21	-87.84
O=C(CCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCCOC1	REAL250004702435	0	35	-2.0	-96.37	291.77	1.36	-95.01
O=C(CCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCCOC1	REAL250004702435	1	35	-2.0	-96.34	291.82	1.38	-94.96
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL250004702436	0	34	-2.0	-105.36	293.46	4.52	-100.84
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL250004702436	1	34	-2.0	-105.33	293.52	4.54	-100.79
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004702437	0	28	-2.0	-91.95	260.06	3.11	-88.84
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004702437	1	28	-2.0	-91.95	260.12	3.13	-88.82
CCC(C)C(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702438	0	33	-2.0	-97.69	277.95	2.52	-95.17
CCC(C)C(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702438	1	33	-2.0	-97.65	278.00	2.54	-95.11
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1Cl	REAL250004702439	0	28	-2.0	-102.38	272.78	3.53	-98.85
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1Cl	REAL250004702439	1	28	-2.0	-102.35	272.84	3.55	-98.80
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004702440	0	34	-2.0	-96.19	304.92	4.78	-91.41
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004702440	1	34	-2.0	-96.18	304.98	4.80	-91.38
O=C(CCC1=N[N-]N=N1)NC1(C(=O)[O-])CCSCC1	REAL250004702441	0	32	-2.0	-97.37	274.50	3.74	-93.63
O=C(CCC1=NN=N[N-]1)NC1(C(=O)[O-])CCSCC1	REAL250004702441	1	32	-2.0	-97.36	274.56	3.75	-93.61
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004702442	0	32	-2.0	-89.86	279.60	5.01	-84.85
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004702442	1	32	-2.0	-89.88	279.66	5.02	-84.86
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCC2=N[N-]N=N2)C=N1	REAL250004702443	0	34	-2.0	-85.49	301.47	2.28	-83.21
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCC2=NN=N[N-]2)C=N1	REAL250004702443	1	34	-2.0	-85.51	301.52	2.30	-83.21
O=C([O-])C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)O1	REAL250004702444	0	28	-2.0	-90.28	268.88	1.76	-88.52
O=C([O-])C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)O1	REAL250004702444	1	28	-2.0	-90.25	268.94	1.77	-88.48
O=C([O-])C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702445	0	31	-2.0	-91.35	264.16	3.37	-87.98
O=C([O-])C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702445	1	31	-2.0	-91.33	264.22	3.39	-87.94
COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(C(=O)[O-])=C1	REAL250004702446	0	32	-2.0	-93.21	284.97	2.80	-90.41
COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(C(=O)[O-])=C1	REAL250004702446	1	32	-2.0	-93.22	285.02	2.81	-90.41
CCC(CC)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702447	0	33	-2.0	-99.94	268.12	2.99	-96.95
CCC(CC)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702447	1	33	-2.0	-99.97	268.17	3.00	-96.97
O=C([O-])C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702448	0	31	-2.0	-91.35	264.16	3.37	-87.98
O=C([O-])C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702448	1	31	-2.0	-91.33	264.22	3.39	-87.94
O=C([O-])[C@@H]1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702449	0	31	-2.0	-91.04	263.66	3.34	-87.70
O=C([O-])[C@@H]1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702449	1	31	-2.0	-91.04	263.72	3.36	-87.68
C=CCCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702450	0	31	-2.0	-96.19	281.61	2.87	-93.32
C=CCCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702450	1	31	-2.0	-96.17	281.66	2.88	-93.29
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CS1	REAL250004702451	0	28	-2.0	-98.43	275.06	2.69	-95.74
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CS1	REAL250004702451	1	28	-2.0	-98.44	275.11	2.70	-95.74
CC(C)C1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702452	0	37	-2.0	-101.31	297.25	4.04	-97.27
CC(C)C1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702452	1	37	-2.0	-101.30	297.31	4.05	-97.25
COCC1(C(=O)[O-])CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702453	0	38	-2.0	-93.69	308.99	3.98	-89.71
COCC1(C(=O)[O-])CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702453	1	38	-2.0	-93.67	309.05	3.99	-89.68
CC1(C(=O)[O-])CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702454	0	31	-2.0	-103.11	263.80	3.98	-99.13
CC1(C(=O)[O-])CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702454	1	31	-2.0	-103.12	263.86	3.99	-99.13
O=C([O-])CC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702455	0	31	-2.0	-87.96	282.42	3.91	-84.05
O=C([O-])CC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702455	1	31	-2.0	-87.97	282.48	3.93	-84.04
O=C(CCC1=N[N-]N=N1)NC(CC1CCCCC1)C(=O)[O-]	REAL250004702456	0	40	-2.0	-97.41	327.43	4.80	-92.61
O=C(CCC1=NN=N[N-]1)NC(CC1CCCCC1)C(=O)[O-]	REAL250004702456	1	40	-2.0	-97.37	327.49	4.82	-92.55
O=C([O-])C(CC(F)(F)F)NC(=O)CCC1=N[N-]N=N1	REAL250004702457	0	27	-2.0	-91.05	262.39	2.27	-88.78
O=C([O-])C(CC(F)(F)F)NC(=O)CCC1=NN=N[N-]1	REAL250004702457	1	27	-2.0	-91.07	262.45	2.28	-88.79
CC(C)C(C)(CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702458	0	36	-2.0	-91.54	281.58	2.79	-88.75
CC(C)C(C)(CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702458	1	36	-2.0	-91.56	281.64	2.80	-88.76
O=C([O-])CC1(NC(=O)CCC2=N[N-]N=N2)CCOC1	REAL250004702459	0	32	-2.0	-91.95	271.80	0.74	-91.21
O=C([O-])CC1(NC(=O)CCC2=NN=N[N-]2)CCOC1	REAL250004702459	1	32	-2.0	-91.99	271.86	0.75	-91.24
O=C([O-])CC1(NC(=O)CCC2=N[N-]N=N2)CCCOC1	REAL250004702460	0	35	-2.0	-96.23	285.17	1.87	-94.36
O=C([O-])CC1(NC(=O)CCC2=NN=N[N-]2)CCCOC1	REAL250004702460	1	35	-2.0	-96.22	285.23	1.88	-94.34
O=C([O-])CC1COCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702461	0	32	-2.0	-91.50	265.88	1.55	-89.95
O=C([O-])CC1COCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702461	1	32	-2.0	-91.43	265.94	1.56	-89.87
COCCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702462	0	31	-2.0	-95.27	280.14	0.64	-94.63
COCCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702462	1	31	-2.0	-95.32	280.19	0.65	-94.67
O=C(CCC1=N[N-]N=N1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004702463	0	31	-2.0	-102.47	266.36	2.82	-99.65
O=C(CCC1=NN=N[N-]1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004702463	1	31	-2.0	-102.47	266.42	2.83	-99.64
O=C(CCC1=N[N-]N=N1)NC(CC1CC1)C(=O)[O-]	REAL250004702464	0	31	-2.0	-96.18	279.18	3.03	-93.15
O=C(CCC1=NN=N[N-]1)NC(CC1CC1)C(=O)[O-]	REAL250004702464	1	31	-2.0	-96.17	279.23	3.05	-93.12
O=C([O-])CC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702465	0	34	-2.0	-87.97	281.22	4.01	-83.96
O=C([O-])CC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702465	1	34	-2.0	-87.94	281.28	4.03	-83.91
CC(C(=O)[O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004702466	0	34	-2.0	-90.38	299.08	4.41	-85.97
CC(C(=O)[O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004702466	1	34	-2.0	-90.29	299.14	4.42	-85.87
CC(C(=O)[O-])C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702467	0	34	-2.0	-97.72	298.53	4.41	-93.31
CC(C(=O)[O-])C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702467	1	34	-2.0	-97.73	298.58	4.42	-93.31
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004702468	0	31	-2.0	-100.45	283.23	3.69	-96.76
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004702468	1	31	-2.0	-100.46	283.29	3.70	-96.76
COC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL250004702469	0	32	-2.0	-97.43	287.38	3.22	-94.21
COC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL250004702469	1	32	-2.0	-97.44	287.44	3.23	-94.21
O=C([O-])C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702470	0	31	-2.0	-91.35	264.16	3.37	-87.98
O=C([O-])C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702470	1	31	-2.0	-91.33	264.22	3.39	-87.94
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL250004702471	0	32	-2.0	-90.05	288.61	2.53	-87.52
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL250004702471	1	32	-2.0	-90.05	288.66	2.54	-87.51
O=C(CCC1=N[N-]N=N1)NCC(C(=O)[O-])C1CCOCC1	REAL250004702472	0	38	-2.0	-91.67	317.00	1.80	-89.87
O=C(CCC1=NN=N[N-]1)NCC(C(=O)[O-])C1CCOCC1	REAL250004702472	1	38	-2.0	-91.66	317.06	1.82	-89.84
CN(C(=O)CCC1=N[N-]N=N1)C(C(=O)[O-])C1=CC=CC=C1	REAL250004702473	0	34	-2.0	-95.44	291.59	5.00	-90.44
CN(C(=O)CCC1=NN=N[N-]1)C(C(=O)[O-])C1=CC=CC=C1	REAL250004702473	1	34	-2.0	-95.41	291.65	5.01	-90.40
O=C(CCC1=N[N-]N=N1)NC1(C(=O)[O-])CCOCC1	REAL250004702474	0	32	-2.0	-99.78	268.25	1.45	-98.33
O=C(CCC1=NN=N[N-]1)NC1(C(=O)[O-])CCOCC1	REAL250004702474	1	32	-2.0	-99.74	268.31	1.46	-98.28
O=C([O-])CC1CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702475	0	31	-2.0	-93.90	265.76	3.39	-90.51
O=C([O-])CC1CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702475	1	31	-2.0	-93.91	265.81	3.40	-90.51
CC(C)(CCNC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702476	0	33	-2.0	-87.44	281.01	2.03	-85.41
CC(C)(CCNC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702476	1	33	-2.0	-87.45	281.07	2.04	-85.41
C=CCOCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702477	0	32	-2.0	-99.13	293.42	1.34	-97.79
C=CCOCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702477	1	32	-2.0	-99.11	293.48	1.35	-97.76
O=C([O-])C(CC(F)F)NC(=O)CCC1=N[N-]N=N1	REAL250004702478	0	27	-2.0	-93.68	259.40	1.87	-91.81
O=C([O-])C(CC(F)F)NC(=O)CCC1=NN=N[N-]1	REAL250004702478	1	27	-2.0	-93.70	259.46	1.89	-91.81
CC1CCN(C(=O)CCC2=N[N-]N=N2)C(C(=O)[O-])C1	REAL250004702479	0	34	-2.0	-107.57	279.32	5.05	-102.52
CC1CCN(C(=O)CCC2=NN=N[N-]2)C(C(=O)[O-])C1	REAL250004702479	1	34	-2.0	-107.55	279.37	5.07	-102.48
CC1C(C(=O)[O-])CCN1C(=O)CCC1=N[N-]N=N1	REAL250004702480	0	31	-2.0	-87.91	262.34	3.24	-84.67
CC1C(C(=O)[O-])CCN1C(=O)CCC1=NN=N[N-]1	REAL250004702480	1	31	-2.0	-87.91	262.39	3.25	-84.66
CCCC(CNC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702481	0	33	-2.0	-91.79	288.81	2.59	-89.20
CCCC(CNC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702481	1	33	-2.0	-91.78	288.87	2.60	-89.18
O=C([O-])C1=CN(CCNC(=O)CCC2=NN=N[N-]2)N=N1	REAL250004702482	0	30	-2.0	-96.34	285.56	-0.15	-96.49
O=C([O-])C1=CN(CCNC(=O)CCC2=N[N-]N=N2)N=N1	REAL250004702482	1	30	-2.0	-96.34	285.50	-0.17	-96.51
CC1(C(=O)[O-])CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702483	0	34	-2.0	-90.90	278.37	4.10	-86.80
CC1(C(=O)[O-])CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702483	1	34	-2.0	-90.87	278.43	4.12	-86.75
O=C([O-])C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)S1	REAL250004702484	0	28	-2.0	-89.34	276.81	2.46	-86.88
O=C([O-])C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)S1	REAL250004702484	1	28	-2.0	-89.31	276.87	2.48	-86.83
O=C([O-])CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1F	REAL250004702485	0	31	-2.0	-93.14	287.84	3.95	-89.19
O=C([O-])CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1F	REAL250004702485	1	31	-2.0	-93.12	287.90	3.96	-89.16
CCC(C)CC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702486	0	36	-2.0	-96.85	304.23	3.49	-93.36
CCC(C)CC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702486	1	36	-2.0	-96.83	304.29	3.50	-93.33
O=C([O-])C1=CN(CCNC(=O)CCC2=N[N-]N=N2)C=N1	REAL250004702487	0	31	-2.0	-103.10	290.11	2.77	-100.33
O=C([O-])C1=CN(CCNC(=O)CCC2=NN=N[N-]2)C=N1	REAL250004702487	1	31	-2.0	-103.14	290.17	2.78	-100.36
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1CC1	REAL250004702488	0	35	-2.0	-89.22	299.52	4.67	-84.55
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1CC1	REAL250004702488	1	35	-2.0	-89.19	299.58	4.69	-84.50
O=C([O-])CN1C=CC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL250004702489	0	28	-2.0	-92.00	262.01	2.28	-89.72
O=C([O-])CN1C=CC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL250004702489	1	28	-2.0	-92.01	262.06	2.30	-89.71
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1Cl	REAL250004702490	0	28	-2.0	-102.38	272.78	3.53	-98.85
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1Cl	REAL250004702490	1	28	-2.0	-102.35	272.84	3.55	-98.80
CC(C)N(CCC(=O)[O-])C(=O)CCC1=N[N-]N=N1	REAL250004702491	0	33	-2.0	-93.32	279.80	3.97	-89.35
CC(C)N(CCC(=O)[O-])C(=O)CCC1=NN=N[N-]1	REAL250004702491	1	33	-2.0	-93.34	279.86	3.99	-89.35
CC(C)C[C@H](CNC(=O)CCC1=N[N-]N=N1)CC(=O)[O-]	REAL250004702492	0	39	-2.0	-94.65	314.82	3.52	-91.13
CC(C)C[C@H](CNC(=O)CCC1=NN=N[N-]1)CC(=O)[O-]	REAL250004702492	1	39	-2.0	-94.67	314.88	3.54	-91.13
CC(C)C[C@H](CNC(=O)CCC1=N[N-]N=N1)CC(=O)[O-]	REAL250004702493	0	39	-2.0	-94.65	314.82	3.52	-91.13
CC(C)C[C@H](CNC(=O)CCC1=NN=N[N-]1)CC(=O)[O-]	REAL250004702493	1	39	-2.0	-94.67	314.88	3.54	-91.13
O=C(CCC1=N[N-]N=N1)NCC(CC1CC1)C(=O)[O-]	REAL250004702494	0	34	-2.0	-91.80	299.78	3.37	-88.43
O=C(CCC1=NN=N[N-]1)NCC(CC1CC1)C(=O)[O-]	REAL250004702494	1	34	-2.0	-91.80	299.84	3.38	-88.42
O=C([O-])C1=COC(CNC(=O)CCC2=N[N-]N=N2)=N1	REAL250004702495	0	27	-2.0	-91.10	263.70	-2.03	-93.13
O=C([O-])C1=COC(CNC(=O)CCC2=NN=N[N-]2)=N1	REAL250004702495	1	27	-2.0	-91.13	263.76	-2.01	-93.14
COC1(CC(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])CCC1	REAL250004702496	0	38	-2.0	-98.17	317.40	2.69	-95.48
COC1(CC(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])CCC1	REAL250004702496	1	38	-2.0	-98.17	317.46	2.71	-95.46
C[C@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@@H](C(=O)[O-])O1	REAL250004702497	0	32	-2.0	-91.85	277.06	2.54	-89.31
C[C@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@@H](C(=O)[O-])O1	REAL250004702497	1	32	-2.0	-91.82	277.11	2.56	-89.26
O=C([O-])CN(C(=O)CCC1=N[N-]N=N1)C1CCOCC1	REAL250004702498	0	35	-2.0	-96.98	288.23	2.77	-94.21
O=C([O-])CN(C(=O)CCC1=NN=N[N-]1)C1CCOCC1	REAL250004702498	1	35	-2.0	-97.02	288.29	2.78	-94.24
O=C([O-])CN(C(=O)CCC1=N[N-]N=N1)C1CCCCC1	REAL250004702499	0	37	-2.0	-98.22	297.39	5.19	-93.03
O=C([O-])CN(C(=O)CCC1=NN=N[N-]1)C1CCCCC1	REAL250004702499	1	37	-2.0	-98.20	297.45	5.20	-93.00
O=C(CCC1=N[N-]N=N1)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL250004702500	0	29	-2.0	-93.12	260.77	0.90	-92.22
O=C(CCC1=NN=N[N-]1)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL250004702500	1	29	-2.0	-93.10	260.83	0.92	-92.18
C[C@H]1CC[C@@](NC(=O)CCC2=N[N-]N=N2)(C(=O)[O-])CC1	REAL250004702501	0	37	-2.0	-102.48	290.62	4.32	-98.16
C[C@H]1CC[C@@](NC(=O)CCC2=NN=N[N-]2)(C(=O)[O-])CC1	REAL250004702501	1	37	-2.0	-102.46	290.68	4.34	-98.12
O=C([O-])C1(F)CN(C(=O)CCC2=N[N-]N=N2)CC12CCC2	REAL250004702502	0	35	-2.0	-98.20	297.23	4.28	-93.92
O=C([O-])C1(F)CN(C(=O)CCC2=NN=N[N-]2)CC12CCC2	REAL250004702502	1	35	-2.0	-98.22	297.29	4.29	-93.93
COCC1(C(=O)[O-])CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702503	0	35	-2.0	-105.84	294.57	3.74	-102.10
COCC1(C(=O)[O-])CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702503	1	35	-2.0	-105.84	294.63	3.75	-102.09
O=C([O-])CC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702504	0	34	-2.0	-87.97	281.22	4.01	-83.96
O=C([O-])CC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702504	1	34	-2.0	-87.94	281.28	4.03	-83.91
O=C([O-])C1CC2CCC1N(C(=O)CCC1=N[N-]N=N1)C2	REAL250004702505	0	35	-2.0	-106.61	285.84	4.59	-102.02
O=C([O-])C1CC2CCC1N(C(=O)CCC1=NN=N[N-]1)C2	REAL250004702505	1	35	-2.0	-106.58	285.90	4.60	-101.98
COC1CCN(C(=O)CCC2=N[N-]N=N2)C(C(=O)[O-])C1	REAL250004702506	0	35	-2.0	-108.22	289.12	3.59	-104.63
COC1CCN(C(=O)CCC2=NN=N[N-]2)C(C(=O)[O-])C1	REAL250004702506	1	35	-2.0	-108.20	289.18	3.60	-104.60
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702507	0	33	-3.0	-167.59	285.67	3.86	-163.73
O=C([O-])C1CCC(C(=O)[O-])N(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702507	1	33	-3.0	-167.55	285.73	3.88	-163.67
CC(CC(=O)[O-])N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702508	1	39	-2.0	-88.95	311.26	2.66	-86.29
CC(CC(=O)[O-])N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702508	1	39	-2.0	-88.97	311.32	2.68	-86.29
CC(C)(C(=O)[O-])N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702509	0	39	-2.0	-87.66	306.20	2.03	-85.63
CC(C)(C(=O)[O-])N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702509	1	39	-2.0	-87.64	306.26	2.04	-85.60
O=C([O-])C1=C(CNC(=O)CCC2=N[N-]N=N2)C=CO1	REAL250004702510	0	28	-2.0	-97.16	265.47	1.48	-95.68
O=C([O-])C1=C(CNC(=O)CCC2=NN=N[N-]2)C=CO1	REAL250004702510	1	28	-2.0	-97.15	265.53	1.49	-95.66
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL250004702511	0	34	-2.0	-85.61	299.62	3.17	-82.44
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL250004702511	1	34	-2.0	-85.62	299.67	3.18	-82.44
O=C([O-])CC(CNC(=O)CCC1=N[N-]N=N1)C1CC1	REAL250004702512	0	34	-2.0	-92.88	293.82	3.13	-89.75
O=C([O-])CC(CNC(=O)CCC1=NN=N[N-]1)C1CC1	REAL250004702512	1	34	-2.0	-92.91	293.88	3.15	-89.76
CC(CCF)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702513	0	30	-2.0	-94.88	258.04	2.26	-92.62
CC(CCF)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702513	1	30	-2.0	-94.86	258.09	2.27	-92.59
O=C([O-])CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004702514	0	34	-2.0	-87.72	308.21	4.04	-83.68
O=C([O-])CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004702514	1	34	-2.0	-87.74	308.27	4.06	-83.68
O=C([O-])C1=CCC(NC(=O)CCC2=N[N-]N=N2)C1	REAL250004702515	0	29	-2.0	-89.01	263.89	2.27	-86.74
O=C([O-])C1=CCC(NC(=O)CCC2=NN=N[N-]2)C1	REAL250004702515	1	29	-2.0	-89.01	263.94	2.29	-86.72
O=C([O-])C1C2=C(CCN1C(=O)CCC1=N[N-]N=N1)OC=C2	REAL250004702516	0	32	-2.0	-99.60	281.68	3.98	-95.62
O=C([O-])C1C2=C(CCN1C(=O)CCC1=NN=N[N-]1)OC=C2	REAL250004702516	1	32	-2.0	-99.61	281.74	3.99	-95.62
CC1(C)CCCC(NC(=O)CCC2=N[N-]N=N2)(C(=O)[O-])C1	REAL250004702517	0	40	-2.0	-103.54	304.73	5.22	-98.32
CC1(C)CCCC(NC(=O)CCC2=NN=N[N-]2)(C(=O)[O-])C1	REAL250004702517	1	40	-2.0	-103.53	304.79	5.23	-98.30
COC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702518	0	32	-2.0	-96.21	273.75	1.92	-94.29
COC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702518	1	32	-2.0	-96.22	273.81	1.94	-94.28
C[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@@H](C(=O)[O-])O1	REAL250004702519	0	32	-2.0	-91.76	272.20	2.70	-89.06
C[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@@H](C(=O)[O-])O1	REAL250004702519	1	32	-2.0	-91.77	272.25	2.71	-89.06
O=C([O-])C1=CCC(NC(=O)CCC2=N[N-]N=N2)C1	REAL250004702520	0	29	-2.0	-89.01	263.89	2.27	-86.74
O=C([O-])C1=CCC(NC(=O)CCC2=NN=N[N-]2)C1	REAL250004702520	1	29	-2.0	-89.01	263.94	2.29	-86.72
O=C([O-])C1N(C(=O)CCC2=N[N-]N=N2)CC12CCCC2	REAL250004702521	0	35	-2.0	-105.96	292.55	5.04	-100.92
O=C([O-])C1N(C(=O)CCC2=NN=N[N-]2)CC12CCCC2	REAL250004702521	1	35	-2.0	-105.94	292.60	5.06	-100.88
O=C(CCC1=N[N-]N=N1)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL250004702522	0	35	-2.0	-104.66	287.43	3.84	-100.82
O=C(CCC1=NN=N[N-]1)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL250004702522	1	35	-2.0	-104.63	287.48	3.85	-100.78
C[C@H]1CN(C(=O)CCC2=N[N-]N=N2)CC[C@H]1C(=O)[O-]	REAL250004702523	0	34	-2.0	-89.31	277.94	4.12	-85.19
C[C@H]1CN(C(=O)CCC2=NN=N[N-]2)CC[C@H]1C(=O)[O-]	REAL250004702523	1	34	-2.0	-89.31	277.99	4.14	-85.17
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCC2=N[N-]N=N2)C=N1	REAL250004702524	0	34	-2.0	-85.49	301.47	2.28	-83.21
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCC2=NN=N[N-]2)C=N1	REAL250004702524	1	34	-2.0	-85.51	301.52	2.30	-83.21
O=C(CCC1=N[N-]N=N1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004702525	0	31	-2.0	-102.47	266.36	2.82	-99.65
O=C(CCC1=NN=N[N-]1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004702525	1	31	-2.0	-102.47	266.42	2.83	-99.64
CN(C(=O)CCC1=N[N-]N=N1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL250004702526	0	31	-2.0	-86.80	266.08	3.36	-83.44
CN(C(=O)CCC1=NN=N[N-]1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL250004702526	1	31	-2.0	-86.81	266.14	3.37	-83.44
O=C([O-])C12CC(C1)CN2C(=O)CCC1=N[N-]N=N1	REAL250004702527	0	29	-2.0	-107.11	253.90	4.00	-103.11
O=C([O-])C12CC(C1)CN2C(=O)CCC1=NN=N[N-]1	REAL250004702527	1	29	-2.0	-107.10	253.96	4.01	-103.09
CC1(C(=O)[O-])CCCC1NC(=O)CCC1=N[N-]N=N1	REAL250004702528	0	34	-2.0	-96.02	283.43	3.19	-92.83
CC1(C(=O)[O-])CCCC1NC(=O)CCC1=NN=N[N-]1	REAL250004702528	1	34	-2.0	-96.03	283.48	3.20	-92.83
O=C([O-])CC1(NC(=O)CCC2=N[N-]N=N2)CCOCC1	REAL250004702529	0	35	-2.0	-94.13	284.15	1.92	-92.21
O=C([O-])CC1(NC(=O)CCC2=NN=N[N-]2)CCOCC1	REAL250004702529	1	35	-2.0	-94.17	284.21	1.94	-92.23
O=C([O-])CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004702530	0	31	-2.0	-89.62	282.13	3.92	-85.70
O=C([O-])CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004702530	1	31	-2.0	-89.63	282.18	3.94	-85.69
O=C([O-])CC1CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702531	0	31	-2.0	-93.90	265.76	3.39	-90.51
O=C([O-])CC1CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702531	1	31	-2.0	-93.91	265.81	3.40	-90.51
O=C([O-])C1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL250004702532	0	32	-2.0	-89.32	288.90	4.80	-84.52
O=C([O-])C1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL250004702532	1	32	-2.0	-89.38	288.95	4.81	-84.57
O=C([O-])C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004702533	0	34	-2.0	-95.18	298.00	3.95	-91.23
O=C([O-])C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004702533	1	34	-2.0	-95.21	298.06	3.97	-91.24
CN(C(=O)CCC1=N[N-]N=N1)C(C)(C)CC(=O)[O-]	REAL250004702534	0	33	-2.0	-85.48	264.91	3.12	-82.36
CN(C(=O)CCC1=NN=N[N-]1)C(C)(C)CC(=O)[O-]	REAL250004702534	1	33	-2.0	-85.49	264.97	3.13	-82.36
O=C([O-])CC1(NC(=O)CCC2=N[N-]N=N2)CCCC1	REAL250004702535	0	34	-2.0	-96.19	280.62	3.29	-92.90
O=C([O-])CC1(NC(=O)CCC2=NN=N[N-]2)CCCC1	REAL250004702535	1	34	-2.0	-96.15	280.68	3.31	-92.84
O=C([O-])C1CCCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702536	0	34	-2.0	-106.26	273.53	5.36	-100.90
O=C([O-])C1CCCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702536	1	34	-2.0	-106.25	273.58	5.37	-100.88
O=C([O-])CN(C(=O)CCC1=N[N-]N=N1)C1CCCC1	REAL250004702537	0	34	-2.0	-97.18	279.62	4.62	-92.56
O=C([O-])CN(C(=O)CCC1=NN=N[N-]1)C1CCCC1	REAL250004702537	1	34	-2.0	-97.20	279.68	4.63	-92.57
O=C([O-])COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004702538	0	32	-2.0	-89.51	291.06	3.41	-86.10
O=C([O-])COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004702538	1	32	-2.0	-89.52	291.12	3.43	-86.09
CC1=C(NC(=O)CCC2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL250004702539	0	28	-2.0	-100.83	268.28	3.04	-97.79
CC1=C(NC(=O)CCC2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL250004702539	1	28	-2.0	-100.81	268.33	3.05	-97.76
O=C(CCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCCCC1	REAL250004702540	0	37	-2.0	-99.40	301.03	3.75	-95.65
O=C(CCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCCCC1	REAL250004702540	1	37	-2.0	-99.36	301.09	3.76	-95.60
CCCC1(C(=O)[O-])CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702541	0	37	-2.0	-103.53	297.75	5.20	-98.33
CCCC1(C(=O)[O-])CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702541	1	37	-2.0	-103.51	297.81	5.22	-98.29
O=C([O-])CC1(CNC(=O)CCC2=N[N-]N=N2)CCOCC1	REAL250004702542	0	38	-2.0	-93.56	301.31	1.54	-92.02
O=C([O-])CC1(CNC(=O)CCC2=NN=N[N-]2)CCOCC1	REAL250004702542	1	38	-2.0	-93.56	301.37	1.56	-92.00
O=C([O-])C(F)C1CN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702543	0	28	-2.0	-86.62	260.61	2.66	-83.96
O=C([O-])C(F)C1CN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702543	1	28	-2.0	-86.66	260.66	2.67	-83.99
O=C(CCC1=N[N-]N=N1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL250004702544	0	34	-2.0	-95.56	283.21	3.46	-92.10
O=C(CCC1=NN=N[N-]1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL250004702544	1	34	-2.0	-95.50	283.27	3.47	-92.03
O=C(CCC1=N[N-]N=N1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL250004702545	0	34	-2.0	-95.56	283.21	3.46	-92.10
O=C(CCC1=NN=N[N-]1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL250004702545	1	34	-2.0	-95.50	283.27	3.47	-92.03
CC(NC(=O)CCC1=N[N-]N=N1)C1=NC=C(C(=O)[O-])S1	REAL250004702546	0	30	-2.0	-85.51	292.72	1.43	-84.08
CC(NC(=O)CCC1=NN=N[N-]1)C1=NC=C(C(=O)[O-])S1	REAL250004702546	1	30	-2.0	-85.55	292.77	1.44	-84.11
O=C([O-])[C@]12CN(C(=O)CCC3=N[N-]N=N3)C[C@H]1CCCC2	REAL250004702547	0	38	-2.0	-97.79	301.86	4.58	-93.21
O=C([O-])[C@]12CN(C(=O)CCC3=NN=N[N-]3)C[C@H]1CCCC2	REAL250004702547	1	38	-2.0	-97.78	301.92	4.59	-93.19
O=C(CCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCOCC1	REAL250004702548	0	35	-2.0	-96.12	294.40	1.57	-94.55
O=C(CCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCOCC1	REAL250004702548	1	35	-2.0	-96.07	294.46	1.58	-94.49
O=C([O-])CC1(CNC(=O)CCC2=N[N-]N=N2)CCCCC1	REAL250004702549	0	40	-2.0	-95.84	309.72	3.90	-91.94
O=C([O-])CC1(CNC(=O)CCC2=NN=N[N-]2)CCCCC1	REAL250004702549	1	40	-2.0	-95.80	309.77	3.92	-91.88
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCCOC1	REAL250004702550	0	35	-2.0	-94.87	293.54	1.77	-93.10
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCCOC1	REAL250004702550	1	35	-2.0	-94.87	293.60	1.79	-93.08
O=C([O-])C1=COC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702551	0	28	-2.0	-89.63	269.14	1.50	-88.13
O=C([O-])C1=COC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702551	1	28	-2.0	-89.63	269.20	1.51	-88.12
CCC(CC)(CNC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702552	0	36	-2.0	-90.20	289.20	2.98	-87.22
CCC(CC)(CNC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702552	1	36	-2.0	-90.16	289.25	3.00	-87.16
O=C(CCC1=N[N-]N=N1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004702553	0	31	-2.0	-102.47	266.36	2.82	-99.65
O=C(CCC1=NN=N[N-]1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004702553	1	31	-2.0	-102.47	266.42	2.83	-99.64
C[C@H](NC(=O)[C@H](C)NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702554	0	34	-2.0	-83.10	303.83	-0.12	-83.22
C[C@H](NC(=O)[C@H](C)NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702554	1	34	-2.0	-83.05	303.89	-0.10	-83.15
O=C(CCC1=N[N-]N=N1)NCC(C(=O)[O-])C1CCCCC1	REAL250004702555	0	40	-2.0	-92.10	319.18	4.30	-87.80
O=C(CCC1=NN=N[N-]1)NCC(C(=O)[O-])C1CCCCC1	REAL250004702555	1	40	-2.0	-92.11	319.24	4.31	-87.80
CC1=C(C(=O)[O-])OC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702556	0	31	-2.0	-91.32	286.85	2.35	-88.97
CC1=C(C(=O)[O-])OC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702556	1	31	-2.0	-91.30	286.91	2.36	-88.94
O=C([O-])CC1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702557	0	34	-2.0	-107.57	273.97	4.95	-102.62
O=C([O-])CC1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702557	1	34	-2.0	-107.57	274.03	4.96	-102.61
COC1CN(C(=O)CCC2=N[N-]N=N2)C(C)(C(=O)[O-])C1	REAL250004702558	0	35	-2.0	-98.97	296.68	3.03	-95.94
COC1CN(C(=O)CCC2=NN=N[N-]2)C(C)(C(=O)[O-])C1	REAL250004702558	1	35	-2.0	-98.93	296.73	3.04	-95.89
O=C(CCC1=N[N-]N=N1)NC(CC1CCCOC1)C(=O)[O-]	REAL250004702559	0	38	-2.0	-97.51	314.47	3.11	-94.40
O=C(CCC1=NN=N[N-]1)NC(CC1CCCOC1)C(=O)[O-]	REAL250004702559	1	38	-2.0	-97.54	314.52	3.12	-94.42
C[C@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@]1(C)C(=O)[O-]	REAL250004702560	0	34	-2.0	-87.09	281.86	3.49	-83.60
C[C@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@]1(C)C(=O)[O-]	REAL250004702560	1	34	-2.0	-87.10	281.92	3.50	-83.60
CC(C)(C)[C@H](NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702561	0	33	-2.0	-97.79	278.09	2.65	-95.14
CC(C)(C)[C@H](NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702561	1	33	-2.0	-97.79	278.15	2.66	-95.13
C=C(Cl)CC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702562	0	28	-2.0	-94.05	275.77	2.65	-91.40
C=C(Cl)CC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702562	1	28	-2.0	-94.01	275.83	2.67	-91.34
O=C([O-])C12CCC(CC1)N2C(=O)CCC1=N[N-]N=N1	REAL250004702563	0	32	-2.0	-108.60	269.45	4.75	-103.85
O=C([O-])C12CCC(CC1)N2C(=O)CCC1=NN=N[N-]1	REAL250004702563	1	32	-2.0	-108.55	269.51	4.76	-103.79
C=C(C)CC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702564	0	31	-2.0	-95.83	280.20	2.90	-92.93
C=C(C)CC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702564	1	31	-2.0	-95.83	280.26	2.91	-92.92
O=C(CCC1=N[N-]N=N1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL250004702565	0	32	-2.0	-88.61	280.55	2.91	-85.70
O=C(CCC1=NN=N[N-]1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL250004702565	1	32	-2.0	-88.63	280.61	2.93	-85.70
O=C(CCC1=N[N-]N=N1)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL250004702566	0	32	-2.0	-100.29	278.83	1.06	-99.23
O=C(CCC1=NN=N[N-]1)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL250004702566	1	32	-2.0	-100.27	278.89	1.07	-99.20
O=C([O-])CNC(=O)CNC(=O)CCC1=N[N-]N=N1	REAL250004702567	0	28	-2.0	-82.84	263.65	-1.80	-84.64
O=C([O-])CNC(=O)CNC(=O)CCC1=NN=N[N-]1	REAL250004702567	1	28	-2.0	-82.85	263.70	-1.78	-84.63
CC1(C(=O)[O-])CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL250004702568	0	32	-2.0	-90.76	271.36	2.58	-88.18
CC1(C(=O)[O-])CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL250004702568	1	32	-2.0	-90.79	271.42	2.60	-88.19
O=C([O-])C1=CC(O)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL250004702569	0	29	-2.0	-92.16	266.54	0.65	-91.51
O=C([O-])C1=CC(O)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL250004702569	1	29	-2.0	-92.16	266.60	0.66	-91.50
CC(CC(=O)[O-])(NC(=O)CCC1=N[N-]N=N1)C1CC1	REAL250004702570	0	34	-2.0	-90.90	277.96	2.68	-88.22
CC(CC(=O)[O-])(NC(=O)CCC1=NN=N[N-]1)C1CC1	REAL250004702570	1	34	-2.0	-90.83	278.02	2.69	-88.14
O=C([O-])C=CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004702571	0	32	-2.0	-93.33	291.57	4.43	-88.90
O=C([O-])C=CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004702571	1	32	-2.0	-93.36	291.63	4.44	-88.92
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1F	REAL250004702572	0	28	-2.0	-106.17	264.83	3.17	-103.00
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1F	REAL250004702572	1	28	-2.0	-106.16	264.89	3.18	-102.98
O=C([O-])C1(O)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702573	0	29	-2.0	-87.95	260.48	-0.01	-87.96
O=C([O-])C1(O)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702573	1	29	-2.0	-87.96	260.54	-0.00	-87.96
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCC1=N[N-]N=N1	REAL250004702574	0	42	-2.0	-90.85	327.80	5.71	-85.14
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCC1=NN=N[N-]1	REAL250004702574	1	42	-2.0	-90.85	327.86	5.73	-85.12
O=C([O-])CCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702575	0	34	-2.0	-87.34	303.82	4.72	-82.62
O=C([O-])CCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702575	1	34	-2.0	-87.35	303.87	4.73	-82.62
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CCC1=N[N-]N=N1	REAL250004702576	0	28	-2.0	-94.63	260.65	3.17	-91.46
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CCC1=NN=N[N-]1	REAL250004702576	1	28	-2.0	-94.65	260.71	3.19	-91.46
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCC1=N[N-]N=N1	REAL250004702577	0	28	-2.0	-99.50	254.12	3.09	-96.41
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCC1=NN=N[N-]1	REAL250004702577	1	28	-2.0	-99.49	254.18	3.10	-96.39
C=C1C[C@@H](C(=O)[O-])N(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702578	0	29	-2.0	-102.69	260.96	3.49	-99.20
C=C1C[C@@H](C(=O)[O-])N(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702578	1	29	-2.0	-102.70	261.02	3.51	-99.19
O=C(CCC1=N[N-]N=N1)NC(CC1CCOCC1)C(=O)[O-]	REAL250004702579	0	38	-2.0	-95.97	314.31	3.14	-92.83
O=C(CCC1=NN=N[N-]1)NC(CC1CCOCC1)C(=O)[O-]	REAL250004702579	1	38	-2.0	-95.93	314.37	3.15	-92.78
CC(C)C[C@H](NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702580	0	33	-2.0	-96.85	286.00	2.82	-94.03
CC(C)C[C@H](NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702580	1	33	-2.0	-96.87	286.06	2.84	-94.03
O=C(CCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCOCC1	REAL250004702581	0	35	-2.0	-96.12	294.40	1.57	-94.55
O=C(CCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCOCC1	REAL250004702581	1	35	-2.0	-96.07	294.46	1.58	-94.49
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL250004702582	0	35	-2.0	-101.56	289.95	4.12	-97.44
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL250004702582	1	35	-2.0	-101.59	290.01	4.14	-97.45
O=C([O-])[C@@H]1[C@H](CNC(=O)CCC2=N[N-]N=N2)C1(F)F	REAL250004702583	0	28	-2.0	-91.76	265.47	1.84	-89.92
O=C([O-])[C@@H]1[C@H](CNC(=O)CCC2=NN=N[N-]2)C1(F)F	REAL250004702583	1	28	-2.0	-91.81	265.54	1.86	-89.95
O=C([O-])C1(O)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702584	0	32	-2.0	-88.24	272.66	0.91	-87.33
O=C([O-])C1(O)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702584	1	32	-2.0	-88.20	272.71	0.93	-87.27
CC1CCC(C(=O)[O-])C(C)N1C(=O)CCC1=N[N-]N=N1	REAL250004702585	0	37	-2.0	-88.92	289.22	4.40	-84.52
CC1CCC(C(=O)[O-])C(C)N1C(=O)CCC1=NN=N[N-]1	REAL250004702585	1	37	-2.0	-88.91	289.27	4.41	-84.50
O=C([O-])CCC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702586	0	37	-2.0	-91.39	303.88	4.78	-86.61
O=C([O-])CCC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702586	1	37	-2.0	-91.40	303.94	4.79	-86.61
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004702587	0	31	-2.0	-100.45	283.23	3.69	-96.76
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004702587	1	31	-2.0	-100.46	283.29	3.70	-96.76
O=C(CCC1=N[N-]N=N1)NC(CC1CC1)C(=O)[O-]	REAL250004702588	0	31	-2.0	-96.18	279.18	3.03	-93.15
O=C(CCC1=NN=N[N-]1)NC(CC1CC1)C(=O)[O-]	REAL250004702588	1	31	-2.0	-96.17	279.23	3.05	-93.12
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702589	0	31	-2.0	-89.37	262.68	3.33	-86.04
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702589	1	31	-2.0	-89.39	262.74	3.35	-86.04
CC(C)CC(C(=O)[O-])N(C)C(=O)CCC1=N[N-]N=N1	REAL250004702590	0	36	-2.0	-92.61	297.00	4.70	-87.91
CC(C)CC(C(=O)[O-])N(C)C(=O)CCC1=NN=N[N-]1	REAL250004702590	1	36	-2.0	-92.61	297.06	4.71	-87.90
O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCC1=N[N-]N=N1)CC2	REAL250004702591	0	35	-2.0	-93.16	288.39	4.34	-88.82
O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCC1=NN=N[N-]1)CC2	REAL250004702591	1	35	-2.0	-93.17	288.45	4.35	-88.82
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004702592	0	28	-2.0	-91.95	260.06	3.11	-88.84
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004702592	1	28	-2.0	-91.95	260.12	3.13	-88.82
O=C([O-])CC1=CSC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL250004702593	0	27	-2.0	-91.49	265.84	2.14	-89.35
O=C([O-])CC1=CSC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL250004702593	1	27	-2.0	-91.48	265.89	2.15	-89.33
O=C([O-])CNC(=O)C1CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702594	0	35	-2.0	-94.46	305.70	2.17	-92.29
O=C([O-])CNC(=O)C1CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702594	1	35	-2.0	-94.50	305.75	2.19	-92.31
O=C([O-])C1N(C(=O)CCC2=N[N-]N=N2)CC12CCOCC2	REAL250004702595	0	36	-2.0	-105.51	301.38	3.40	-102.11
O=C([O-])C1N(C(=O)CCC2=NN=N[N-]2)CC12CCOCC2	REAL250004702595	1	36	-2.0	-105.48	301.44	3.42	-102.06
CC1=C(C(=O)[O-])N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL250004702596	0	27	-2.0	-105.08	265.05	2.41	-102.67
CC1=C(C(=O)[O-])N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL250004702596	1	27	-2.0	-105.08	264.99	2.40	-102.68
CC(C)CCCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702597	0	39	-2.0	-96.32	329.36	4.37	-91.95
CC(C)CCCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702597	1	39	-2.0	-96.30	329.42	4.39	-91.91
O=C(CCC1=N[N-]N=N1)NC(CC1CCCO1)C(=O)[O-]	REAL250004702598	0	35	-2.0	-101.36	303.24	1.97	-99.39
O=C(CCC1=NN=N[N-]1)NC(CC1CCCO1)C(=O)[O-]	REAL250004702598	1	35	-2.0	-101.31	303.30	1.98	-99.33
CC[C@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@]1(F)C(=O)[O-]	REAL250004702599	0	34	-2.0	-88.54	295.84	3.92	-84.62
CC[C@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@]1(F)C(=O)[O-]	REAL250004702599	1	34	-2.0	-88.48	295.90	3.93	-84.55
CSCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702600	0	28	-2.0	-95.51	271.00	1.88	-93.63
CSCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702600	1	28	-2.0	-95.51	271.05	1.90	-93.61
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=N1	REAL250004702601	0	27	-2.0	-92.43	255.94	1.39	-91.04
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=N1	REAL250004702601	1	27	-2.0	-92.41	255.89	1.37	-91.04
CC1=NC=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL250004702602	0	30	-2.0	-98.41	273.04	2.18	-96.23
CC1=NC=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL250004702602	1	30	-2.0	-98.41	273.10	2.19	-96.22
O=C([O-])CC1CC(NC(=O)CCC2=N[N-]N=N2)C1	REAL250004702603	0	31	-2.0	-91.54	274.05	2.46	-89.08
O=C([O-])CC1CC(NC(=O)CCC2=NN=N[N-]2)C1	REAL250004702603	1	31	-2.0	-91.49	274.11	2.48	-89.01
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CCC3=N[N-]N=N3)C[C@@H]21	REAL250004702604	0	32	-2.0	-106.16	261.53	4.71	-101.45
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CCC3=NN=N[N-]3)C[C@@H]21	REAL250004702604	1	32	-2.0	-106.17	261.58	4.72	-101.45
CCC(C)CC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702605	0	36	-2.0	-96.85	304.23	3.49	-93.36
CCC(C)CC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702605	1	36	-2.0	-96.83	304.29	3.50	-93.33
C=CCCCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702606	0	34	-2.0	-96.03	303.11	3.65	-92.38
C=CCCCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702606	1	34	-2.0	-96.03	303.16	3.66	-92.37
O=C([O-])CCC1=CSC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL250004702607	0	30	-2.0	-87.30	288.06	2.81	-84.49
O=C([O-])CCC1=CSC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL250004702607	1	30	-2.0	-87.28	288.11	2.83	-84.45
O=C([O-])C1=CN=C(CNC(=O)CCC2=N[N-]N=N2)S1	REAL250004702608	0	27	-2.0	-85.60	272.68	0.57	-85.03
O=C([O-])C1=CN=C(CNC(=O)CCC2=NN=N[N-]2)S1	REAL250004702608	1	27	-2.0	-85.59	272.74	0.57	-85.02
CC(C)(CNC(=O)CCC1=N[N-]N=N1)CC(=O)[O-]	REAL250004702609	0	33	-2.0	-84.91	274.85	2.33	-82.58
CC(C)(CNC(=O)CCC1=NN=N[N-]1)CC(=O)[O-]	REAL250004702609	1	33	-2.0	-84.89	274.91	2.34	-82.55
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1CCCC1	REAL250004702610	0	37	-2.0	-93.43	302.90	4.01	-89.42
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1CCCC1	REAL250004702610	1	37	-2.0	-93.41	302.96	4.02	-89.39
O=C([O-])CC1=CN=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL250004702611	0	27	-2.0	-90.51	269.16	2.66	-87.85
O=C([O-])CC1=CN=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL250004702611	1	27	-2.0	-90.48	269.22	2.68	-87.80
CC1=C(CC(=O)[O-])N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL250004702612	0	30	-2.0	-90.55	285.86	2.63	-87.92
CC1=C(CC(=O)[O-])N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL250004702612	1	30	-2.0	-90.54	285.92	2.65	-87.89
C[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1CC(=O)[O-]	REAL250004702613	0	34	-2.0	-94.03	288.59	3.88	-90.15
C[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1CC(=O)[O-]	REAL250004702613	1	34	-2.0	-94.04	288.65	3.89	-90.15
CC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL250004702614	0	34	-2.0	-102.44	291.28	4.59	-97.85
CC(NC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL250004702614	1	34	-2.0	-102.43	291.33	4.61	-97.82
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL250004702615	0	34	-2.0	-92.45	297.68	4.75	-87.70
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL250004702615	1	34	-2.0	-92.50	297.73	4.76	-87.74
CCN(C(=O)CCC1=N[N-]N=N1)C1=CC=CC(C(=O)[O-])=C1	REAL250004702616	0	34	-2.0	-92.86	301.60	5.70	-87.16
CCN(C(=O)CCC1=NN=N[N-]1)C1=CC=CC(C(=O)[O-])=C1	REAL250004702616	1	34	-2.0	-92.85	301.66	5.71	-87.14
O=C([O-])C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=N1	REAL250004702617	0	30	-2.0	-92.54	281.78	1.47	-91.07
O=C([O-])C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=N1	REAL250004702617	1	30	-2.0	-92.52	281.84	1.48	-91.04
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CN=C1	REAL250004702618	0	30	-2.0	-98.49	277.75	1.87	-96.62
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CN=C1	REAL250004702618	1	30	-2.0	-98.48	277.81	1.88	-96.60
CC1=NN(CC(=O)[O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702619	0	31	-2.0	-91.75	283.71	2.81	-88.94
CC1=NN(CC(=O)[O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702619	1	31	-2.0	-91.74	283.77	2.82	-88.92
O=C([O-])CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702620	0	33	-2.0	-91.77	271.97	0.76	-91.01
O=C([O-])CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702620	1	33	-2.0	-91.77	272.03	0.77	-91.00
O=C([O-])C(F)C1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702621	0	31	-2.0	-92.65	274.38	3.33	-89.32
O=C([O-])C(F)C1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702621	1	31	-2.0	-92.61	274.43	3.35	-89.26
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)CCC1=N[N-]N=N1	REAL250004702622	0	31	-2.0	-105.46	286.98	3.88	-101.58
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)CCC1=NN=N[N-]1	REAL250004702622	1	31	-2.0	-105.46	287.04	3.89	-101.57
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CCC1=N[N-]N=N1	REAL250004702623	0	32	-2.0	-109.74	270.95	4.95	-104.79
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CCC1=NN=N[N-]1	REAL250004702623	1	32	-2.0	-109.75	271.01	4.97	-104.78
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCC1=N[N-]N=N1	REAL250004702624	0	34	-2.0	-89.11	278.07	4.01	-85.10
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCC1=NN=N[N-]1	REAL250004702624	1	34	-2.0	-89.10	278.13	4.02	-85.08
CC(C)CC(C)(CNC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702625	0	39	-2.0	-92.35	314.94	3.73	-88.62
CC(C)CC(C)(CNC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702625	1	39	-2.0	-92.36	315.00	3.74	-88.62
O=C(CCC1=N[N-]N=N1)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	REAL250004702626	0	32	-2.0	-93.85	280.24	3.02	-90.83
O=C(CCC1=NN=N[N-]1)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	REAL250004702626	1	32	-2.0	-93.84	280.30	3.03	-90.81
O=C([O-])CCC1(NC(=O)CCC2=N[N-]N=N2)CCCCC1	REAL250004702627	0	40	-2.0	-100.94	314.64	4.91	-96.03
O=C([O-])CCC1(NC(=O)CCC2=NN=N[N-]2)CCCCC1	REAL250004702627	1	40	-2.0	-100.92	314.70	4.93	-95.99
O=C([O-])C1=CC=CC=C1CCNC(=O)CCC1=N[N-]N=N1	REAL250004702628	0	34	-2.0	-98.93	299.01	3.75	-95.18
O=C([O-])C1=CC=CC=C1CCNC(=O)CCC1=NN=N[N-]1	REAL250004702628	1	34	-2.0	-98.96	299.07	3.77	-95.19
CCCN(C(=O)CCC1=N[N-]N=N1)C(C)C(=O)[O-]	REAL250004702629	0	33	-2.0	-91.02	277.00	3.85	-87.17
CCCN(C(=O)CCC1=NN=N[N-]1)C(C)C(=O)[O-]	REAL250004702629	1	33	-2.0	-91.01	277.06	3.87	-87.14
CC(C)(C)C(CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702630	0	36	-2.0	-94.36	292.12	3.27	-91.09
CC(C)(C)C(CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702630	1	36	-2.0	-94.35	292.18	3.28	-91.07
CN1N=C(NC(=O)CCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL250004702631	0	28	-2.0	-90.19	259.89	1.62	-88.57
CN1N=C(NC(=O)CCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL250004702631	1	28	-2.0	-90.21	259.83	1.60	-88.61
CC1=C(C(=O)[O-])N=C(CNC(=O)CCC2=N[N-]N=N2)S1	REAL250004702632	0	30	-2.0	-95.08	290.61	1.02	-94.06
CC1=C(C(=O)[O-])N=C(CNC(=O)CCC2=NN=N[N-]2)S1	REAL250004702632	1	30	-2.0	-95.07	290.67	1.03	-94.04
CC1=CC(F)=C(NC(=O)CCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL250004702633	0	31	-2.0	-95.75	281.44	3.79	-91.96
CC1=CC(F)=C(NC(=O)CCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL250004702633	1	31	-2.0	-95.74	281.50	3.80	-91.94
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C(F)(F)F	REAL250004702634	0	27	-2.0	-87.43	261.23	1.81	-85.62
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL250004702634	1	27	-2.0	-87.45	261.29	1.83	-85.62
CCCN(C(=O)CCC1=N[N-]N=N1)C(C)C(=O)[O-]	REAL250004702635	0	33	-2.0	-91.02	277.00	3.85	-87.17
CCCN(C(=O)CCC1=NN=N[N-]1)C(C)C(=O)[O-]	REAL250004702635	1	33	-2.0	-91.01	277.06	3.87	-87.14
O=C([O-])C1=NNC2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL250004702636	0	32	-2.0	-104.09	282.15	1.92	-102.17
O=C([O-])C1=NNC2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL250004702636	1	32	-2.0	-104.08	282.21	1.93	-102.15
O=C([O-])C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)N=C1	REAL250004702637	0	30	-2.0	-87.23	281.21	1.40	-85.83
O=C([O-])C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)N=C1	REAL250004702637	1	30	-2.0	-87.22	281.27	1.42	-85.80
O=C([O-])C(CC1=CC=NC=C1)NC(=O)CCC1=N[N-]N=N1	REAL250004702638	0	33	-2.0	-95.80	300.60	2.84	-92.96
O=C([O-])C(CC1=CC=NC=C1)NC(=O)CCC1=NN=N[N-]1	REAL250004702638	1	33	-2.0	-95.77	300.66	2.86	-92.91
O=C([O-])CN1CCCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702639	0	36	-2.0	-98.77	291.40	2.30	-96.47
O=C([O-])CN1CCCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702639	1	36	-2.0	-98.76	291.45	2.32	-96.44
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL250004702640	0	32	-2.0	-101.34	294.23	0.82	-100.52
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL250004702640	1	32	-2.0	-101.37	294.29	0.84	-100.53
O=C([O-])C(CC1=CC=NC=C1)NC(=O)CCC1=N[N-]N=N1	REAL250004702641	0	33	-2.0	-95.80	300.60	2.84	-92.96
O=C([O-])C(CC1=CC=NC=C1)NC(=O)CCC1=NN=N[N-]1	REAL250004702641	1	33	-2.0	-95.77	300.66	2.86	-92.91
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004702642	0	32	-2.0	-98.78	279.74	4.15	-94.63
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004702642	1	32	-2.0	-98.82	279.80	4.17	-94.65
O=C([O-])C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004702643	0	32	-2.0	-104.41	272.56	3.59	-100.82
O=C([O-])C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004702643	1	32	-2.0	-104.43	272.63	3.59	-100.84
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004702644	0	29	-2.0	-97.75	272.10	3.21	-94.54
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004702644	1	29	-2.0	-97.74	272.16	3.23	-94.51
O=C([O-])C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL250004702645	0	31	-2.0	-100.88	277.86	3.27	-97.61
O=C([O-])C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL250004702645	1	31	-2.0	-100.89	277.92	3.29	-97.60
O=C([O-])C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL250004702646	0	31	-2.0	-104.87	268.45	1.87	-103.00
O=C([O-])C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL250004702646	1	31	-2.0	-104.90	268.52	1.90	-103.00
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL250004702647	0	29	-2.0	-95.54	266.52	2.96	-92.58
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004702647	1	29	-2.0	-95.55	266.58	2.98	-92.57
O=C([O-])C1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004702648	0	38	-2.0	-123.35	299.03	4.46	-118.89
O=C([O-])C1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004702648	1	38	-2.0	-123.40	299.09	4.47	-118.93
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004702649	0	31	-2.0	-101.05	274.83	2.33	-98.72
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004702649	1	31	-2.0	-101.05	274.89	2.35	-98.70
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004702650	0	31	-2.0	-94.31	277.17	3.31	-91.00
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004702650	1	31	-2.0	-94.30	277.11	3.28	-91.02
CC(C)(CC(=O)[O-])CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702651	0	37	-2.0	-106.38	292.25	4.00	-102.38
CC(C)(CC(=O)[O-])CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702651	1	37	-2.0	-106.40	292.30	4.02	-102.38
O=C([O-])C1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004702652	0	30	-2.0	-94.76	272.78	1.44	-93.32
O=C([O-])C1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004702652	1	30	-2.0	-94.75	272.72	1.42	-93.33
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004702653	0	38	-2.0	-102.73	304.87	4.47	-98.26
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004702653	1	38	-2.0	-102.77	304.93	4.49	-98.28
O=C([O-])C1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004702654	0	38	-2.0	-119.27	297.57	4.37	-114.90
O=C([O-])C1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004702654	1	38	-2.0	-119.26	297.63	4.38	-114.88
O=C([O-])C1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004702655	0	31	-2.0	-119.64	284.92	1.21	-118.43
O=C([O-])C1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004702655	1	31	-2.0	-119.60	284.87	1.19	-118.41
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004702656	0	32	-2.0	-98.78	279.74	4.15	-94.63
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004702656	1	32	-2.0	-98.82	279.80	4.17	-94.65
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004702657	0	35	-2.0	-113.74	286.14	3.96	-109.78
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004702657	1	35	-2.0	-113.67	286.19	3.98	-109.69
O=C([O-])CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=CO1	REAL250004702658	0	32	-2.0	-114.13	282.10	3.20	-110.93
O=C([O-])CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CO1	REAL250004702658	1	32	-2.0	-114.07	282.15	3.22	-110.85
O=C([O-])C1=CC=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004702659	0	31	-2.0	-109.65	277.38	3.34	-106.31
O=C([O-])C1=CC=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004702659	1	31	-2.0	-109.59	277.32	3.31	-106.28
CC(C)(CC(=O)[O-])CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702660	0	37	-2.0	-106.38	292.25	4.00	-102.38
CC(C)(CC(=O)[O-])CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702660	1	37	-2.0	-106.40	292.30	4.02	-102.38
O=C([O-])CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702661	0	31	-2.0	-112.68	269.95	3.15	-109.53
O=C([O-])CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702661	1	31	-2.0	-112.72	270.01	3.18	-109.54
CC(CC(=O)[O-])CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702662	0	34	-2.0	-111.21	282.50	3.61	-107.60
CC(CC(=O)[O-])CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702662	1	34	-2.0	-111.22	282.56	3.63	-107.59
O=C([O-])C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL250004702663	0	28	-2.0	-94.27	261.06	2.36	-91.91
O=C([O-])C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL250004702663	1	28	-2.0	-94.28	261.00	2.33	-91.95
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL250004702664	0	32	-2.0	-100.44	283.61	3.39	-97.05
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL250004702664	1	32	-2.0	-100.43	283.66	3.40	-97.03
CC1=C(C(=O)[O-])OC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004702665	0	32	-2.0	-96.67	284.44	3.54	-93.13
CC1=C(C(=O)[O-])OC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004702665	1	32	-2.0	-96.65	284.49	3.56	-93.09
O=C([O-])C1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004702666	0	32	-2.0	-115.28	289.87	2.69	-112.59
O=C([O-])C1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004702666	1	32	-2.0	-115.26	289.81	2.66	-112.60
O=C([O-])CSCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702667	0	32	-2.0	-100.43	292.89	3.75	-96.68
O=C([O-])CSCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702667	1	32	-2.0	-100.44	292.95	3.77	-96.67
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004702668	0	31	-2.0	-94.31	277.17	3.31	-91.00
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004702668	1	31	-2.0	-94.30	277.11	3.28	-91.02
O=C([O-])COCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702669	0	29	-2.0	-116.70	262.02	2.44	-114.26
O=C([O-])COCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702669	1	29	-2.0	-116.66	262.08	2.47	-114.19
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702670	0	32	-2.0	-100.33	280.68	1.94	-98.39
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702670	1	32	-2.0	-100.36	280.62	1.92	-98.44
C[C@@H]1C[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)O[C@H]1C(=O)[O-]	REAL250004702671	0	36	-2.0	-111.20	302.44	3.90	-107.30
C[C@@H]1C[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)O[C@H]1C(=O)[O-]	REAL250004702671	1	36	-2.0	-111.15	302.50	3.93	-107.22
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004702672	0	35	-2.0	-113.74	286.14	3.96	-109.78
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004702672	1	35	-2.0	-113.67	286.19	3.98	-109.69
O=C([O-])C1=CN=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004702673	0	31	-2.0	-101.06	268.84	1.72	-99.34
O=C([O-])C1=CN=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004702673	1	31	-2.0	-101.04	268.79	1.74	-99.30
O=C([O-])C1=NN(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004702674	0	32	-2.0	-127.36	289.20	2.71	-124.65
O=C([O-])C1=NN(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004702674	1	32	-2.0	-127.38	289.14	2.69	-124.69
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702675	0	32	-2.0	-109.73	270.10	3.30	-106.43
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702675	1	32	-2.0	-109.74	270.16	3.32	-106.42
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702676	0	32	-2.0	-109.73	270.10	3.30	-106.43
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702676	1	32	-2.0	-109.74	270.16	3.32	-106.42
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702677	0	29	-2.0	-134.59	258.05	2.97	-131.62
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702677	1	29	-2.0	-134.57	258.11	2.99	-131.58
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)OC(C(=O)[O-])=C1	REAL250004702678	0	32	-2.0	-96.38	284.33	3.64	-92.74
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)OC(C(=O)[O-])=C1	REAL250004702678	1	32	-2.0	-96.42	284.39	3.66	-92.76
CCC(C(=O)[O-])C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702679	0	31	-2.0	-115.00	265.42	2.81	-112.19
CCC(C(=O)[O-])C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702679	1	31	-2.0	-114.99	265.48	2.84	-112.15
CC(C)C(C(=O)[O-])C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702680	0	34	-2.0	-112.15	274.16	3.33	-108.82
CC(C)C(C(=O)[O-])C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702680	1	34	-2.0	-112.10	274.22	3.35	-108.75
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702681	0	38	-2.0	-127.13	293.94	4.58	-122.55
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702681	1	38	-2.0	-127.10	294.00	4.60	-122.50
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702682	0	29	-2.0	-103.08	258.52	3.04	-100.04
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702682	1	29	-2.0	-103.07	258.58	3.07	-100.00
O=C([O-])C1CC12CC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL250004702683	0	36	-2.0	-102.23	305.01	4.88	-97.35
O=C([O-])C1CC12CC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL250004702683	1	36	-2.0	-102.25	305.07	4.91	-97.34
O=C([O-])[C@H]1C[C@@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004702684	0	32	-2.0	-109.35	274.64	3.53	-105.82
O=C([O-])[C@H]1C[C@@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004702684	1	32	-2.0	-109.33	274.70	3.55	-105.78
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702685	0	38	-2.0	-115.84	315.87	4.72	-111.12
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702685	1	38	-2.0	-115.81	315.93	4.74	-111.07
CC1(C(=O)[O-])CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004702686	0	35	-2.0	-97.59	291.75	3.94	-93.65
CC1(C(=O)[O-])CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004702686	1	35	-2.0	-97.58	291.81	3.97	-93.61
O=C([O-])C1=NNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004702687	0	29	-2.0	-104.08	262.09	0.98	-103.10
O=C([O-])C1=NNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004702687	1	29	-2.0	-104.10	262.15	1.00	-103.10
CCCC(C(=O)[O-])C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702688	0	34	-2.0	-106.02	290.09	3.68	-102.34
CCCC(C(=O)[O-])C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702688	1	34	-2.0	-106.03	290.15	3.70	-102.33
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702689	0	33	-2.0	-102.74	280.31	3.41	-99.33
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702689	1	33	-2.0	-102.74	280.38	3.43	-99.31
O=C([O-])CC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004702690	0	35	-2.0	-102.41	295.32	4.28	-98.13
O=C([O-])CC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004702690	1	35	-2.0	-102.39	295.38	4.30	-98.09
O=C([O-])C1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL250004702691	0	28	-2.0	-96.81	269.61	2.16	-94.65
O=C([O-])C1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL250004702691	1	28	-2.0	-96.81	269.55	2.14	-94.67
COC(C(=O)[O-])C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702692	0	29	-2.0	-104.60	256.00	1.97	-102.63
COC(C(=O)[O-])C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702692	1	29	-2.0	-104.59	256.06	1.98	-102.61
C[C@]1(C(=O)N2CCCC2C2=N[N-]N=N2)C[C@H]1C(=O)[O-]	REAL250004702693	0	32	-2.0	-112.55	275.36	3.24	-109.31
C[C@]1(C(=O)N2CCCC2C2=NN=N[N-]2)C[C@H]1C(=O)[O-]	REAL250004702693	1	32	-2.0	-112.52	275.42	3.25	-109.27
O=C([O-])C1=CSC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004702694	0	29	-2.0	-111.55	271.05	3.06	-108.49
O=C([O-])C1=CSC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004702694	1	29	-2.0	-111.58	271.11	3.09	-108.49
CC(C)[C@]1(C(=O)N2CCCC2C2=N[N-]N=N2)C[C@H]1C(=O)[O-]	REAL250004702695	0	38	-2.0	-134.11	307.33	4.28	-129.83
CC(C)[C@]1(C(=O)N2CCCC2C2=NN=N[N-]2)C[C@H]1C(=O)[O-]	REAL250004702695	1	38	-2.0	-134.06	307.38	4.29	-129.77
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004702696	0	35	-2.0	-136.23	287.60	4.09	-132.14
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004702696	1	35	-2.0	-136.26	287.64	4.12	-132.14
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1O	REAL250004702697	0	29	-2.0	-106.39	269.10	1.18	-105.21
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1O	REAL250004702697	1	29	-2.0	-106.35	269.16	1.20	-105.15
O=C([O-])C1C(O)CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702698	0	32	-2.0	-112.28	269.23	1.12	-111.16
O=C([O-])C1C(O)CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702698	1	32	-2.0	-112.27	269.28	1.14	-111.13
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=NC=C1	REAL250004702699	0	33	-2.0	-92.14	293.23	2.23	-89.91
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=NC=C1	REAL250004702699	1	33	-2.0	-92.04	293.29	2.24	-89.80
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004702700	0	30	-2.0	-102.97	279.84	2.04	-100.93
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004702700	1	30	-2.0	-102.97	279.90	2.06	-100.91
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL250004702701	0	31	-2.0	-105.00	281.66	3.80	-101.20
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL250004702701	1	31	-2.0	-105.01	281.72	3.82	-101.19
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1F	REAL250004702702	0	28	-2.0	-92.14	264.28	3.18	-88.96
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1F	REAL250004702702	1	28	-2.0	-92.16	264.34	3.19	-88.97
O=C(CCC1=N[N-]N=N1)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL250004702703	0	35	-2.0	-94.06	290.50	3.77	-90.29
O=C(CCC1=NN=N[N-]1)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL250004702703	1	35	-2.0	-94.09	290.56	3.79	-90.30
CC(NC(=O)CCC1=N[N-]N=N1)C1(C(=O)[O-])CCOCC1	REAL250004702704	0	38	-2.0	-86.11	303.95	1.78	-84.33
CC(NC(=O)CCC1=NN=N[N-]1)C1(C(=O)[O-])CCOCC1	REAL250004702704	1	38	-2.0	-86.10	304.00	1.79	-84.31
O=C([O-])C1=CN=C(CCNC(=O)CCC2=N[N-]N=N2)S1	REAL250004702705	0	30	-2.0	-90.53	294.18	1.34	-89.19
O=C([O-])C1=CN=C(CCNC(=O)CCC2=NN=N[N-]2)S1	REAL250004702705	1	30	-2.0	-90.47	294.24	1.35	-89.12
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCCC1	REAL250004702706	0	34	-2.0	-92.09	286.77	3.20	-88.89
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCCC1	REAL250004702706	1	34	-2.0	-92.13	286.83	3.21	-88.92
CC1=C(C(=O)[O-])SC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702707	0	28	-2.0	-95.35	267.22	2.89	-92.46
CC1=C(C(=O)[O-])SC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702707	1	28	-2.0	-95.30	267.28	2.91	-92.39
O=C([O-])[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004702708	0	31	-2.0	-100.66	283.47	3.62	-97.04
O=C([O-])[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004702708	1	31	-2.0	-100.61	283.53	3.62	-96.99
C=CCCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702709	0	31	-2.0	-96.19	281.61	2.87	-93.32
C=CCCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702709	1	31	-2.0	-96.17	281.66	2.88	-93.29
O=C([O-])C(CC1=NC=CS1)NC(=O)CCC1=N[N-]N=N1	REAL250004702710	0	30	-2.0	-97.28	292.00	1.61	-95.67
O=C([O-])C(CC1=NC=CS1)NC(=O)CCC1=NN=N[N-]1	REAL250004702710	1	30	-2.0	-97.29	292.06	1.62	-95.67
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1Cl	REAL250004702711	0	28	-2.0	-102.38	272.78	3.53	-98.85
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1Cl	REAL250004702711	1	28	-2.0	-102.35	272.84	3.55	-98.80
O=C([O-])C1CC12CCC(NC(=O)CCC1=N[N-]N=N1)CC2	REAL250004702712	0	38	-2.0	-94.27	313.00	4.08	-90.19
O=C([O-])C1CC12CCC(NC(=O)CCC1=NN=N[N-]1)CC2	REAL250004702712	1	38	-2.0	-94.27	313.06	4.10	-90.17
O=C([O-])CC1(CNC(=O)CCC2=N[N-]N=N2)CCCC1	REAL250004702713	0	37	-2.0	-95.73	300.23	3.51	-92.22
O=C([O-])CC1(CNC(=O)CCC2=NN=N[N-]2)CCCC1	REAL250004702713	1	37	-2.0	-95.77	300.28	3.53	-92.24
CC1=C(CNC(=O)CCC2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL250004702714	0	31	-2.0	-91.08	289.91	2.37	-88.71
CC1=C(CNC(=O)CCC2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL250004702714	1	31	-2.0	-91.05	289.97	2.38	-88.67
O=C(CCC1=N[N-]N=N1)NC[C@H]1CCCC[C@H]1C(=O)[O-]	REAL250004702715	0	37	-2.0	-95.26	296.27	3.30	-91.96
O=C(CCC1=NN=N[N-]1)NC[C@H]1CCCC[C@H]1C(=O)[O-]	REAL250004702715	1	37	-2.0	-95.26	296.33	3.31	-91.95
O=C(CCC1=N[N-]N=N1)N[C@H]1CCCCC[C@H]1C(=O)[O-]	REAL250004702716	0	37	-2.0	-94.76	295.11	4.13	-90.63
O=C(CCC1=NN=N[N-]1)N[C@H]1CCCCC[C@H]1C(=O)[O-]	REAL250004702716	1	37	-2.0	-94.74	295.17	4.14	-90.60
O=C(CCC1=N[N-]N=N1)N[C@H]1CCCCCC[C@H]1C(=O)[O-]	REAL250004702717	0	40	-2.0	-104.79	303.89	4.22	-100.57
O=C(CCC1=NN=N[N-]1)N[C@H]1CCCCCC[C@H]1C(=O)[O-]	REAL250004702717	1	40	-2.0	-104.80	303.95	4.23	-100.57
COC1=C(NC(=O)CCC2=N[N-]N=N2)C=CC=C1C(=O)[O-]	REAL250004702718	0	32	-2.0	-90.17	288.46	3.33	-86.84
COC1=C(NC(=O)CCC2=NN=N[N-]2)C=CC=C1C(=O)[O-]	REAL250004702718	1	32	-2.0	-90.15	288.53	3.35	-86.80
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1CCOCC1	REAL250004702719	0	38	-2.0	-97.96	311.81	2.52	-95.44
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1CCOCC1	REAL250004702719	1	38	-2.0	-97.94	311.87	2.54	-95.40
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1CCCCC1	REAL250004702720	0	40	-2.0	-98.05	321.53	4.89	-93.16
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1CCCCC1	REAL250004702720	1	40	-2.0	-97.99	321.59	4.91	-93.08
CC#CCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702721	0	29	-2.0	-96.31	275.39	2.91	-93.40
CC#CCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702721	1	29	-2.0	-96.26	275.45	2.92	-93.34
C[C@]1(C(=O)[O-])CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702722	0	31	-2.0	-103.06	263.83	3.98	-99.08
C[C@]1(C(=O)[O-])CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702722	1	31	-2.0	-103.09	263.89	3.99	-99.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702723	0	33	-3.0	-171.41	283.58	3.57	-167.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702723	1	33	-3.0	-171.46	283.64	3.58	-167.88
O=C([O-])CC1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702724	0	31	-2.0	-86.10	269.28	3.31	-82.79
O=C([O-])CC1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702724	1	31	-2.0	-86.11	269.34	3.32	-82.79
O=C([O-])C1=CC=C(F)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702725	0	28	-2.0	-96.35	265.05	3.27	-93.08
O=C([O-])C1=CC=C(F)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702725	1	28	-2.0	-96.35	265.11	3.28	-93.07
O=C([O-])[C@@H]1CC=C[C@@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL250004702726	0	32	-2.0	-87.22	277.19	2.90	-84.32
O=C([O-])[C@@H]1CC=C[C@@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL250004702726	1	32	-2.0	-87.24	277.25	2.92	-84.32
O=C(CCC1=N[N-]N=N1)NCCCCC1(C(=O)[O-])CCC1	REAL250004702727	0	40	-2.0	-94.54	333.14	4.37	-90.17
O=C(CCC1=NN=N[N-]1)NCCCCC1(C(=O)[O-])CCC1	REAL250004702727	1	40	-2.0	-94.56	333.20	4.38	-90.18
O=C([O-])C1=C2CN(C(=O)CCC3=N[N-]N=N3)CCN2N=C1	REAL250004702728	0	32	-2.0	-94.91	283.26	2.47	-92.44
O=C([O-])C1=C2CN(C(=O)CCC3=NN=N[N-]3)CCN2N=C1	REAL250004702728	1	32	-2.0	-94.95	283.32	2.49	-92.46
O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL250004702729	0	34	-2.0	-88.60	289.55	3.02	-85.58
O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL250004702729	1	34	-2.0	-88.59	289.61	3.04	-85.55
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL250004702730	0	28	-2.0	-90.96	272.64	3.53	-87.43
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL250004702730	1	28	-2.0	-90.93	272.70	3.55	-87.38
O=C(CCC1=N[N-]N=N1)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL250004702731	0	32	-2.0	-88.66	276.28	1.71	-86.95
O=C(CCC1=NN=N[N-]1)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL250004702731	1	32	-2.0	-88.64	276.34	1.73	-86.91
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1CCC1	REAL250004702732	0	34	-2.0	-99.12	287.63	3.82	-95.30
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1CCC1	REAL250004702732	1	34	-2.0	-99.11	287.69	3.83	-95.28
O=C([O-])[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004702733	0	31	-2.0	-100.34	282.82	3.66	-96.68
O=C([O-])[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004702733	1	31	-2.0	-100.35	282.88	3.68	-96.67
CC(CN1C=CC=N1)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702734	0	34	-2.0	-102.63	297.15	3.21	-99.42
CC(CN1C=CC=N1)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702734	1	34	-2.0	-102.62	297.21	3.22	-99.40
O=C(CCC1=N[N-]N=N1)NCC(CC1CCCC1)C(=O)[O-]	REAL250004702735	0	40	-2.0	-93.72	331.23	4.41	-89.31
O=C(CCC1=NN=N[N-]1)NCC(CC1CCCC1)C(=O)[O-]	REAL250004702735	1	40	-2.0	-93.70	331.29	4.43	-89.27
O=C([O-])CC1CC(CNC(=O)CCC2=N[N-]N=N2)C1	REAL250004702736	0	34	-2.0	-90.04	295.52	3.04	-87.00
O=C([O-])CC1CC(CNC(=O)CCC2=NN=N[N-]2)C1	REAL250004702736	1	34	-2.0	-90.03	295.58	3.06	-86.97
CC1=NC(C(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL250004702737	0	30	-2.0	-93.72	273.64	2.19	-91.53
CC1=NC(C(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL250004702737	1	30	-2.0	-93.73	273.71	2.20	-91.53
O=C([O-])CN(C(=O)CCC1=N[N-]N=N1)C1CCCC1	REAL250004702738	0	34	-2.0	-97.18	279.62	4.62	-92.56
O=C([O-])CN(C(=O)CCC1=NN=N[N-]1)C1CCCC1	REAL250004702738	1	34	-2.0	-97.20	279.68	4.63	-92.57
CC1=C(NC(=O)CCC2=N[N-]N=N2)NN=C1C(=O)[O-]	REAL250004702739	0	28	-2.0	-90.84	258.44	1.40	-89.44
CC1=C(NC(=O)CCC2=NN=N[N-]2)NN=C1C(=O)[O-]	REAL250004702739	1	28	-2.0	-90.85	258.50	1.42	-89.43
O=C(CCC1=N[N-]N=N1)NC1CC2CC(C(=O)[O-])CC21	REAL250004702740	0	35	-2.0	-99.27	294.49	3.35	-95.92
O=C(CCC1=NN=N[N-]1)NC1CC2CC(C(=O)[O-])CC21	REAL250004702740	1	35	-2.0	-99.25	294.54	3.37	-95.88
COCC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702741	0	38	-2.0	-93.03	307.59	3.39	-89.64
COCC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702741	1	38	-2.0	-93.00	307.65	3.41	-89.59
O=C([O-])C1=CC=C2CCN(C(=O)CCC3=N[N-]N=N3)C2=C1	REAL250004702742	0	32	-2.0	-106.56	284.41	5.36	-101.20
O=C([O-])C1=CC=C2CCN(C(=O)CCC3=NN=N[N-]3)C2=C1	REAL250004702742	1	32	-2.0	-106.54	284.47	5.37	-101.17
CN(C(=O)CCC1=N[N-]N=N1)C1=CC=CC(CC(=O)[O-])=C1	REAL250004702743	0	34	-2.0	-94.15	304.30	5.64	-88.51
CN(C(=O)CCC1=NN=N[N-]1)C1=CC=CC(CC(=O)[O-])=C1	REAL250004702743	1	34	-2.0	-94.14	304.36	5.65	-88.49
CC[C@H](C)[C@H](NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702744	0	33	-2.0	-97.69	278.54	2.49	-95.20
CC[C@H](C)[C@H](NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702744	1	33	-2.0	-97.66	278.59	2.51	-95.15
CON(C(=O)CCC1=N[N-]N=N1)C(C)CC(=O)[O-]	REAL250004702745	0	31	-2.0	-96.86	270.58	3.25	-93.61
CON(C(=O)CCC1=NN=N[N-]1)C(C)CC(=O)[O-]	REAL250004702745	1	31	-2.0	-96.83	270.64	3.26	-93.57
O=C(CCC1=N[N-]N=N1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	REAL250004702746	0	29	-2.0	-102.73	258.37	-0.77	-103.50
O=C(CCC1=NN=N[N-]1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	REAL250004702746	1	29	-2.0	-102.77	258.43	-0.75	-103.52
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702747	0	40	-2.0	-100.24	327.04	2.78	-97.46
C[C@@H](OC(C)(C)C)[C@H](NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702747	1	40	-2.0	-100.23	327.10	2.79	-97.44
CC1CCC(NC(=O)CCC2=N[N-]N=N2)(C(=O)[O-])C1	REAL250004702748	0	34	-2.0	-102.29	283.38	3.51	-98.78
CC1CCC(NC(=O)CCC2=NN=N[N-]2)(C(=O)[O-])C1	REAL250004702748	1	34	-2.0	-102.31	283.43	3.52	-98.79
COC1CC(C(=O)[O-])(N(C)C(=O)CCC2=N[N-]N=N2)C1	REAL250004702749	0	35	-2.0	-101.22	293.94	3.00	-98.22
COC1CC(C(=O)[O-])(N(C)C(=O)CCC2=NN=N[N-]2)C1	REAL250004702749	1	35	-2.0	-101.19	294.00	3.01	-98.18
CC1(C)CCCC1(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702750	0	37	-2.0	-103.78	292.84	4.21	-99.57
CC1(C)CCCC1(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702750	1	37	-2.0	-103.79	292.90	4.23	-99.56
O=C([O-])C1=NOC2(CCN(C(=O)CCC3=N[N-]N=N3)C2)C1	REAL250004702751	0	33	-2.0	-86.69	295.04	2.11	-84.58
O=C([O-])C1=NOC2(CCN(C(=O)CCC3=NN=N[N-]3)C2)C1	REAL250004702751	1	33	-2.0	-86.71	295.10	2.12	-84.59
COCCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702752	0	31	-2.0	-95.27	280.14	0.64	-94.63
COCCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702752	1	31	-2.0	-95.32	280.19	0.65	-94.67
CC(C)(C)CC(CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702753	0	39	-2.0	-92.68	315.12	4.46	-88.22
CC(C)(C)CC(CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702753	1	39	-2.0	-92.72	315.18	4.48	-88.24
O=C([O-])C[C@@H]1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702754	0	34	-2.0	-107.05	274.31	4.96	-102.09
O=C([O-])C[C@@H]1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702754	1	34	-2.0	-107.04	274.36	4.97	-102.07
CC1(C)CC(NC(=O)CCC2=N[N-]N=N2)(C(=O)[O-])C1	REAL250004702755	0	34	-2.0	-103.18	284.86	4.06	-99.12
CC1(C)CC(NC(=O)CCC2=NN=N[N-]2)(C(=O)[O-])C1	REAL250004702755	1	34	-2.0	-103.12	284.92	4.08	-99.04
CC1(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])CC1	REAL250004702756	0	31	-2.0	-98.55	268.75	2.87	-95.68
CC1(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])CC1	REAL250004702756	1	31	-2.0	-98.58	268.81	2.88	-95.70
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702757	0	40	-2.0	-100.80	331.64	2.77	-98.03
C[C@H](OC(C)(C)C)[C@@H](NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702757	1	40	-2.0	-100.85	331.69	2.77	-98.08
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=N[N-]N=N1	REAL250004702758	0	30	-3.0	-190.90	268.83	4.20	-186.70
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCC1=NN=N[N-]1	REAL250004702758	1	30	-3.0	-190.82	268.89	4.22	-186.60
CN1CC(C(=O)[O-])N(C(=O)CCC2=N[N-]N=N2)CC1=O	REAL250004702759	0	32	-2.0	-99.11	274.74	2.49	-96.62
CN1CC(C(=O)[O-])N(C(=O)CCC2=NN=N[N-]2)CC1=O	REAL250004702759	1	32	-2.0	-99.09	274.80	2.50	-96.59
O=C([O-])CN1C=C(CCNC(=O)CCC2=N[N-]N=N2)N=N1	REAL250004702760	0	33	-2.0	-95.37	304.29	0.84	-94.53
O=C([O-])CN1C=C(CCNC(=O)CCC2=NN=N[N-]2)N=N1	REAL250004702760	1	33	-2.0	-95.38	304.34	0.85	-94.53
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL250004702761	0	32	-2.0	-92.56	298.59	3.20	-89.36
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1)C1=NN=N[N-]1	REAL250004702761	1	32	-2.0	-92.55	298.65	3.21	-89.34
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL250004702762	0	32	-2.0	-92.56	298.59	3.20	-89.36
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1)C1=NN=N[N-]1	REAL250004702762	1	32	-2.0	-92.55	298.65	3.21	-89.34
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCC1)C1=N[N-]N=N1	REAL250004702763	0	35	-2.0	-106.01	311.25	3.69	-102.32
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCC1)C1=NN=N[N-]1	REAL250004702763	1	35	-2.0	-106.01	311.31	3.70	-102.31
CSCC[C@H](NC(=O)C(C)(C)C(=O)[O-])C1=N[N-]N=N1	REAL250004702764	0	34	-2.0	-109.48	305.86	3.85	-105.63
CSCC[C@H](NC(=O)C(C)(C)C(=O)[O-])C1=NN=N[N-]1	REAL250004702764	1	34	-2.0	-109.44	305.92	3.86	-105.58
CSCC[C@H](NC(=O)CCCC(=O)[O-])C1=N[N-]N=N1	REAL250004702765	0	34	-2.0	-103.57	312.78	3.25	-100.32
CSCC[C@H](NC(=O)CCCC(=O)[O-])C1=NN=N[N-]1	REAL250004702765	1	34	-2.0	-103.57	312.84	3.27	-100.30
CSCC[C@H](NC(=O)COCC(=O)[O-])C1=N[N-]N=N1	REAL250004702766	0	32	-2.0	-106.66	304.91	2.51	-104.15
CSCC[C@H](NC(=O)COCC(=O)[O-])C1=NN=N[N-]1	REAL250004702766	1	32	-2.0	-106.66	304.97	2.52	-104.14
CSCC[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004702767	0	35	-2.0	-125.91	312.71	4.72	-121.19
CSCC[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004702767	1	35	-2.0	-125.91	312.76	4.73	-121.18
CSCC[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004702768	0	35	-2.0	-125.91	312.71	4.72	-121.19
CSCC[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004702768	1	35	-2.0	-125.91	312.76	4.73	-121.18
CSCC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004702769	0	32	-2.0	-110.90	299.79	3.14	-107.76
CSCC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004702769	1	32	-2.0	-110.91	299.85	3.16	-107.75
CCC(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL250004702770	0	34	-2.0	-108.37	310.77	3.08	-105.29
CCC(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL250004702770	1	34	-2.0	-108.38	310.82	3.10	-105.28
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004702771	0	32	-2.0	-94.83	302.34	3.17	-91.66
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004702771	1	32	-2.0	-94.84	302.40	3.19	-91.65
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL250004702772	0	35	-2.0	-110.85	318.10	3.65	-107.20
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL250004702772	1	35	-2.0	-110.85	318.16	3.67	-107.18
COC(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL250004702773	0	32	-2.0	-108.68	302.02	2.34	-106.34
COC(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL250004702773	1	32	-2.0	-108.65	302.07	2.35	-106.30
CSCC[C@H](NC(=O)[C@@]1(C)C[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004702774	0	35	-2.0	-128.26	321.94	3.56	-124.70
CSCC[C@H](NC(=O)[C@@]1(C)C[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004702774	1	35	-2.0	-128.28	321.99	3.58	-124.70
CSCC[C@H](NC(=O)C(C)C(=O)[O-])C1=N[N-]N=N1	REAL250004702775	0	31	-2.0	-108.11	287.07	3.32	-104.79
CSCC[C@H](NC(=O)C(C)C(=O)[O-])C1=NN=N[N-]1	REAL250004702775	1	31	-2.0	-108.11	287.13	3.34	-104.77
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1C)C1=N[N-]N=N1	REAL250004702776	0	35	-2.0	-103.50	313.05	4.00	-99.50
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1C)C1=NN=N[N-]1	REAL250004702776	1	35	-2.0	-103.49	313.11	4.02	-99.47
CC1CC(C)N(C(=O)CCC2=N[N-]N=N2)C(C)C1C(=O)[O-]	REAL250004702777	0	40	-2.0	-89.23	293.91	4.25	-84.98
CC1CC(C)N(C(=O)CCC2=NN=N[N-]2)C(C)C1C(=O)[O-]	REAL250004702777	1	40	-2.0	-89.22	293.96	4.26	-84.96
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC1=N[N-]N=N1	REAL250004702778	0	32	-2.0	-105.13	274.09	4.22	-100.91
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC1=NN=N[N-]1	REAL250004702778	1	32	-2.0	-105.13	274.15	4.23	-100.90
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CN=C1	REAL250004702779	0	27	-2.0	-97.08	255.36	1.38	-95.70
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CN=C1	REAL250004702779	1	27	-2.0	-97.05	255.31	1.37	-95.68
O=C(CCC1=N[N-]N=N1)NCC(C(=O)[O-])C1CCOC1	REAL250004702780	0	35	-2.0	-88.33	294.85	1.11	-87.22
O=C(CCC1=NN=N[N-]1)NCC(C(=O)[O-])C1CCOC1	REAL250004702780	1	35	-2.0	-88.33	294.90	1.12	-87.21
O=C(CCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCOC1	REAL250004702781	0	32	-2.0	-95.38	274.47	0.54	-94.84
O=C(CCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCOC1	REAL250004702781	1	32	-2.0	-95.40	274.53	0.56	-94.84
CC(C)C(CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702782	0	33	-2.0	-93.70	275.79	2.88	-90.82
CC(C)C(CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702782	1	33	-2.0	-93.74	275.85	2.90	-90.84
O=C([O-])C[C@@H]1CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702783	0	31	-2.0	-93.56	265.65	3.38	-90.18
O=C([O-])C[C@@H]1CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702783	1	31	-2.0	-93.61	265.71	3.40	-90.21
O=C([O-])C[C@H]1CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702784	0	31	-2.0	-93.53	265.71	3.33	-90.20
O=C([O-])C[C@H]1CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702784	1	31	-2.0	-93.54	265.77	3.35	-90.19
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)CC12CCC2	REAL250004702785	0	35	-2.0	-87.90	291.54	4.24	-83.66
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)CC12CCC2	REAL250004702785	1	35	-2.0	-87.89	291.60	4.25	-83.64
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CCC1=N[N-]N=N1	REAL250004702786	0	32	-2.0	-106.63	268.82	4.53	-102.10
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CCC1=NN=N[N-]1	REAL250004702786	1	32	-2.0	-106.66	268.88	4.54	-102.12
CC(C)[C@H](CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702787	0	33	-2.0	-93.66	276.32	2.98	-90.68
CC(C)[C@H](CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702787	1	33	-2.0	-93.64	276.38	3.00	-90.64
CC1(C(=O)[O-])CC(NC(=O)CCC2=N[N-]N=N2)CCO1	REAL250004702788	0	35	-2.0	-89.19	293.44	1.74	-87.45
CC1(C(=O)[O-])CC(NC(=O)CCC2=NN=N[N-]2)CCO1	REAL250004702788	1	35	-2.0	-89.17	293.50	1.76	-87.41
O=C([O-])C12COC(CN1C(=O)CCC1=N[N-]N=N1)C2	REAL250004702789	0	30	-2.0	-102.63	261.40	2.21	-100.42
O=C([O-])C12COC(CN1C(=O)CCC1=NN=N[N-]1)C2	REAL250004702789	1	30	-2.0	-102.61	261.46	2.22	-100.39
CC1CCC(C(=O)[O-])N(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702790	0	34	-2.0	-107.06	279.33	5.05	-102.01
CC1CCC(C(=O)[O-])N(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702790	1	34	-2.0	-107.08	279.39	5.07	-102.01
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CCC1=N[N-]N=N1	REAL250004702791	0	34	-2.0	-88.29	289.69	2.95	-85.34
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL250004702791	1	34	-2.0	-88.33	289.75	2.97	-85.36
CCC(NC(=O)CCC1=N[N-]N=N1)C(O)C(=O)[O-]	REAL250004702792	0	31	-2.0	-90.72	268.36	-0.19	-90.91
CCC(NC(=O)CCC1=NN=N[N-]1)C(O)C(=O)[O-]	REAL250004702792	1	31	-2.0	-90.71	268.42	-0.17	-90.88
CN1C=CN=C1CC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702793	0	34	-2.0	-100.49	302.19	2.76	-97.73
CN1C=CN=C1CC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702793	1	34	-2.0	-100.50	302.24	2.78	-97.72
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCOC1	REAL250004702794	0	32	-2.0	-90.20	275.45	0.48	-89.72
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCOC1	REAL250004702794	1	32	-2.0	-90.16	275.51	0.49	-89.67
O=C([O-])C1=NNC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702795	0	25	-2.0	-98.47	240.65	0.62	-97.85
O=C([O-])C1=NNC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702795	1	25	-2.0	-98.50	240.71	0.64	-97.86
C=CCC1(C(=O)[O-])CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702796	0	38	-2.0	-89.65	307.56	5.19	-84.46
C=CCC1(C(=O)[O-])CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702796	1	38	-2.0	-89.63	307.61	5.20	-84.43
O=C([O-])COC1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL250004702797	0	38	-2.0	-91.26	322.42	2.96	-88.30
O=C([O-])COC1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL250004702797	1	38	-2.0	-91.30	322.48	2.97	-88.33
O=C([O-])C(CC1CC=CCC1)NC(=O)CCC1=N[N-]N=N1	REAL250004702798	0	38	-2.0	-97.50	320.01	4.66	-92.84
O=C([O-])C(CC1CC=CCC1)NC(=O)CCC1=NN=N[N-]1	REAL250004702798	1	38	-2.0	-97.49	320.07	4.68	-92.81
O=C(CCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCC1	REAL250004702799	0	31	-2.0	-97.89	274.07	2.58	-95.31
O=C(CCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCC1	REAL250004702799	1	31	-2.0	-97.85	274.13	2.59	-95.26
C=CCC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702800	0	38	-2.0	-89.16	303.40	4.66	-84.50
C=CCC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702800	1	38	-2.0	-89.17	303.46	4.67	-84.50
O=C([O-])CCC1CC(NC(=O)CCC2=N[N-]N=N2)C1	REAL250004702801	0	34	-2.0	-88.79	295.91	3.25	-85.54
O=C([O-])CCC1CC(NC(=O)CCC2=NN=N[N-]2)C1	REAL250004702801	1	34	-2.0	-88.79	295.96	3.26	-85.53
O=C(CCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCCCC1	REAL250004702802	0	37	-2.0	-99.40	301.03	3.75	-95.65
O=C(CCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCCCC1	REAL250004702802	1	37	-2.0	-99.36	301.09	3.76	-95.60
O=C(CCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCC1	REAL250004702803	0	31	-2.0	-97.89	274.07	2.58	-95.31
O=C(CCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCC1	REAL250004702803	1	31	-2.0	-97.85	274.13	2.59	-95.26
CCC[C@H](CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702804	0	33	-2.0	-92.54	285.32	2.75	-89.79
CCC[C@H](CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702804	1	33	-2.0	-92.51	285.38	2.76	-89.75
CC(C)[C@@H](CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702805	0	33	-2.0	-93.70	275.80	2.89	-90.81
CC(C)[C@@H](CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702805	1	33	-2.0	-93.71	275.85	2.91	-90.80
O=C([O-])CC(CC1CCCC1)NC(=O)CCC1=N[N-]N=N1	REAL250004702806	0	40	-2.0	-98.49	326.15	4.85	-93.64
O=C([O-])CC(CC1CCCC1)NC(=O)CCC1=NN=N[N-]1	REAL250004702806	1	40	-2.0	-98.45	326.21	4.87	-93.58
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702807	0	36	-2.0	-94.81	298.95	3.46	-91.35
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702807	1	36	-2.0	-94.80	299.01	3.48	-91.32
CC1CCN(C(=O)CCC2=N[N-]N=N2)C1C(=O)[O-]	REAL250004702808	0	31	-2.0	-103.76	262.97	3.57	-100.19
CC1CCN(C(=O)CCC2=NN=N[N-]2)C1C(=O)[O-]	REAL250004702808	1	31	-2.0	-103.78	263.02	3.58	-100.20
C=CCC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702809	0	35	-2.0	-92.57	297.76	4.22	-88.35
C=CCC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702809	1	35	-2.0	-92.57	297.81	4.23	-88.34
CCC[C@@H](CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702810	0	33	-2.0	-97.70	286.45	3.01	-94.69
CCC[C@@H](CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702810	1	33	-2.0	-97.63	286.50	3.03	-94.60
O=C(CCC1=N[N-]N=N1)NC(CC1CCCCO1)C(=O)[O-]	REAL250004702811	0	38	-2.0	-97.84	319.53	3.26	-94.58
O=C(CCC1=NN=N[N-]1)NC(CC1CCCCO1)C(=O)[O-]	REAL250004702811	1	38	-2.0	-97.86	319.59	3.27	-94.59
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC1=N[N-]N=N1	REAL250004702812	0	38	-2.0	-105.33	292.01	4.92	-100.41
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC1=NN=N[N-]1	REAL250004702812	1	38	-2.0	-105.33	292.06	4.94	-100.39
O=C([O-])C1=C(CNC(=O)CCC2=N[N-]N=N2)OC=C1	REAL250004702813	0	28	-2.0	-96.72	265.22	1.36	-95.36
O=C([O-])C1=C(CNC(=O)CCC2=NN=N[N-]2)OC=C1	REAL250004702813	1	28	-2.0	-96.76	265.28	1.38	-95.38
O=C([O-])C[C@H]1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702815	0	34	-2.0	-107.64	273.93	4.93	-102.71
O=C([O-])C[C@H]1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702815	1	34	-2.0	-107.63	273.99	4.95	-102.68
O=C([O-])CCN1C=CC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL250004702816	0	31	-2.0	-86.10	284.27	2.83	-83.27
O=C([O-])CCN1C=CC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL250004702816	1	31	-2.0	-86.08	284.22	2.82	-83.26
CC1(C)CC(NC(=O)CCC2=N[N-]N=N2)(C(=O)[O-])CCO1	REAL250004702817	0	38	-2.0	-100.37	297.35	3.10	-97.27
CC1(C)CC(NC(=O)CCC2=NN=N[N-]2)(C(=O)[O-])CCO1	REAL250004702817	1	38	-2.0	-100.31	297.41	3.11	-97.20
O=C([O-])CC(CNC(=O)CCC1=N[N-]N=N1)C(F)(F)F	REAL250004702818	0	30	-2.0	-86.04	277.79	2.22	-83.82
O=C([O-])CC(CNC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL250004702818	1	30	-2.0	-86.05	277.85	2.23	-83.82
CN1N=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL250004702819	0	28	-2.0	-102.70	261.77	1.93	-100.77
CN1N=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL250004702819	1	28	-2.0	-102.72	261.71	1.91	-100.81
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004702820	0	33	-2.0	-97.60	300.34	2.67	-94.93
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004702820	1	33	-2.0	-97.59	300.40	2.69	-94.90
O=C([O-])CC1=CSC(CNC(=O)CCC2=N[N-]N=N2)=N1	REAL250004702821	0	30	-2.0	-95.63	292.24	1.22	-94.41
O=C([O-])CC1=CSC(CNC(=O)CCC2=NN=N[N-]2)=N1	REAL250004702821	1	30	-2.0	-95.63	292.29	1.24	-94.39
CC1CCC(C(=O)[O-])CN1C(=O)CCC1=N[N-]N=N1	REAL250004702822	0	34	-2.0	-92.64	280.13	3.96	-88.68
CC1CCC(C(=O)[O-])CN1C(=O)CCC1=NN=N[N-]1	REAL250004702822	1	34	-2.0	-92.59	280.19	3.97	-88.62
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O=C([O-])C[C@H](NC(=O)CCC1=NN=N[N-]1)C1CC1	REAL250004702823	1	31	-2.0	-93.84	271.20	2.92	-90.92
O=C([O-])CCC1(NC(=O)CCC2=N[N-]N=N2)CCOC1	REAL250004702824	0	35	-2.0	-96.49	293.19	1.29	-95.20
O=C([O-])CCC1(NC(=O)CCC2=NN=N[N-]2)CCOC1	REAL250004702824	1	35	-2.0	-96.47	293.25	1.31	-95.16
O=C([O-])CC1CC2(CCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL250004702825	0	38	-2.0	-94.12	313.57	5.11	-89.01
O=C([O-])CC1CC2(CCC2)CN1C(=O)CCC1=NN=N[N-]1	REAL250004702825	1	38	-2.0	-94.11	313.63	5.13	-88.98
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CCC1=N[N-]N=N1	REAL250004702826	0	35	-2.0	-93.85	297.88	4.65	-89.20
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CCC1=NN=N[N-]1	REAL250004702826	1	35	-2.0	-93.83	297.94	4.67	-89.16
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702827	0	36	-2.0	-94.40	292.17	3.27	-91.13
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702827	1	36	-2.0	-94.42	292.23	3.28	-91.14
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702828	0	36	-2.0	-94.35	292.11	3.27	-91.08
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702828	1	36	-2.0	-94.34	292.16	3.28	-91.06
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CCC1=N[N-]N=N1	REAL250004702829	0	32	-2.0	-105.34	267.11	3.97	-101.37
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CCC1=NN=N[N-]1	REAL250004702829	1	32	-2.0	-105.34	267.17	3.99	-101.35
O=C([O-])C1(O)CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702830	0	32	-2.0	-89.63	273.12	0.90	-88.73
O=C([O-])C1(O)CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702830	1	32	-2.0	-89.66	273.18	0.91	-88.75
COC1CN(C(=O)CCC2=N[N-]N=N2)CCC1C(=O)[O-]	REAL250004702831	0	35	-2.0	-91.87	293.35	2.48	-89.39
COC1CN(C(=O)CCC2=NN=N[N-]2)CCC1C(=O)[O-]	REAL250004702831	1	35	-2.0	-91.89	293.41	2.50	-89.39
O=C([O-])C(CC1CC=CCC1)NC(=O)CCC1=N[N-]N=N1	REAL250004702832	0	38	-2.0	-97.50	320.01	4.66	-92.84
O=C([O-])C(CC1CC=CCC1)NC(=O)CCC1=NN=N[N-]1	REAL250004702832	1	38	-2.0	-97.49	320.07	4.68	-92.81
COC1CC(NC(=O)CCC2=N[N-]N=N2)(C(=O)[O-])C1	REAL250004702833	0	32	-2.0	-103.47	281.79	1.34	-102.13
COC1CC(NC(=O)CCC2=NN=N[N-]2)(C(=O)[O-])C1	REAL250004702833	1	32	-2.0	-103.49	281.85	1.35	-102.14
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O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CC(F)(F)C1	REAL250004702834	1	28	-2.0	-98.92	256.92	2.42	-96.50
CO[C@H]1C[C@](NC(=O)CCC2=N[N-]N=N2)(C(=O)[O-])C1	REAL250004702835	0	32	-2.0	-102.39	280.70	1.61	-100.78
CO[C@H]1C[C@](NC(=O)CCC2=NN=N[N-]2)(C(=O)[O-])C1	REAL250004702835	1	32	-2.0	-102.41	280.76	1.63	-100.78
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702836	0	33	-3.0	-159.52	291.82	3.85	-155.67
O=C([O-])C1CC(C(=O)[O-])CN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702836	1	33	-3.0	-159.56	291.88	3.86	-155.70
CCC1(C(=O)[O-])CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702837	0	34	-2.0	-102.89	277.48	4.57	-98.32
CCC1(C(=O)[O-])CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702837	1	34	-2.0	-102.91	277.54	4.59	-98.32
O=C(CCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(C1)C2	REAL250004702838	0	32	-2.0	-89.20	285.03	2.93	-86.27
O=C(CCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(C1)C2	REAL250004702838	1	32	-2.0	-89.18	285.09	2.95	-86.23
O=C([O-])COCC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702839	0	38	-2.0	-100.80	319.45	4.11	-96.69
O=C([O-])COCC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702839	1	38	-2.0	-100.75	319.51	4.12	-96.63
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CCC1=N[N-]N=N1	REAL250004702840	0	34	-2.0	-96.48	299.40	5.95	-90.53
CC1=C(C(=O)[O-])C=CC=C1N(C)C(=O)CCC1=NN=N[N-]1	REAL250004702840	1	34	-2.0	-96.47	299.45	5.97	-90.50
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=NC=CS1	REAL250004702841	0	30	-2.0	-94.57	290.70	1.63	-92.94
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=NC=CS1	REAL250004702841	1	30	-2.0	-94.56	290.76	1.65	-92.91
O=C([O-])C(CC(F)(F)F)NC(=O)CCC1=N[N-]N=N1	REAL250004702842	0	27	-2.0	-91.05	262.39	2.27	-88.78
O=C([O-])C(CC(F)(F)F)NC(=O)CCC1=NN=N[N-]1	REAL250004702842	1	27	-2.0	-91.07	262.45	2.28	-88.79
O=C(CCC1=N[N-]N=N1)NC(CC1CCOC1)C(=O)[O-]	REAL250004702843	0	35	-2.0	-96.14	302.15	1.59	-94.55
O=C(CCC1=NN=N[N-]1)NC(CC1CCOC1)C(=O)[O-]	REAL250004702843	1	35	-2.0	-96.15	302.21	1.61	-94.54
CC1CC(C(=O)[O-])CN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702844	0	34	-2.0	-91.98	279.65	4.16	-87.82
CC1CC(C(=O)[O-])CN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702844	1	34	-2.0	-92.02	279.71	4.18	-87.84
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702845	0	38	-2.0	-93.79	316.45	5.56	-88.23
O=C([O-])[C@@H]1C[C@H]1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702845	1	38	-2.0	-93.80	316.51	5.58	-88.22
C=CCC1(C(=O)[O-])CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL250004702846	0	36	-2.0	-91.09	304.22	3.80	-87.29
C=CCC1(C(=O)[O-])CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL250004702846	1	36	-2.0	-91.05	304.28	3.81	-87.24
O=C([O-])C12CCCC1N(C(=O)CCC1=N[N-]N=N1)CC2	REAL250004702847	0	35	-2.0	-93.16	288.40	4.34	-88.82
O=C([O-])C12CCCC1N(C(=O)CCC1=NN=N[N-]1)CC2	REAL250004702847	1	35	-2.0	-93.17	288.46	4.36	-88.81
CC1=NC=C(NC(=O)CCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL250004702848	0	30	-2.0	-96.92	271.70	1.88	-95.04
CC1=NC=C(NC(=O)CCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL250004702848	1	30	-2.0	-96.91	271.75	1.90	-95.01
CC1=C(CNC(=O)CCC2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL250004702849	0	31	-2.0	-91.79	295.94	3.10	-88.69
CC1=C(CNC(=O)CCC2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL250004702849	1	31	-2.0	-91.80	296.00	3.12	-88.68
O=C([O-])C(CC1=CC=CS1)NC(=O)CCC1=N[N-]N=N1	REAL250004702850	0	31	-2.0	-96.34	297.60	3.61	-92.73
O=C([O-])C(CC1=CC=CS1)NC(=O)CCC1=NN=N[N-]1	REAL250004702850	1	31	-2.0	-96.34	297.66	3.62	-92.72
CC1(C)CC(CC(=O)[O-])N(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702851	0	37	-2.0	-93.59	306.22	4.41	-89.18
CC1(C)CC(CC(=O)[O-])N(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702851	1	37	-2.0	-93.58	306.28	4.43	-89.15
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL250004702852	0	38	-2.0	-95.74	314.48	4.75	-90.99
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL250004702852	1	38	-2.0	-95.76	314.54	4.76	-91.00
CC(C)C(C)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702853	0	33	-2.0	-99.23	266.37	2.73	-96.50
CC(C)C(C)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702853	1	33	-2.0	-99.24	266.43	2.75	-96.49
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)CC(F)(F)C1	REAL250004702854	0	31	-2.0	-87.17	275.47	3.48	-83.69
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)CC(F)(F)C1	REAL250004702854	1	31	-2.0	-87.22	275.53	3.49	-83.73
O=C([O-])C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1CCCCC1	REAL250004702855	0	40	-2.0	-94.45	318.78	4.47	-89.98
O=C([O-])C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1CCCCC1	REAL250004702855	1	40	-2.0	-94.40	318.84	4.49	-89.91
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)CCC1=N[N-]N=N1	REAL250004702856	0	29	-2.0	-106.71	254.08	4.52	-102.19
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)CCC1=NN=N[N-]1	REAL250004702856	1	29	-2.0	-106.69	254.14	4.53	-102.16
O=C([O-])C[C@H](NC(=O)CCC1=N[N-]N=N1)C1CC1	REAL250004702857	0	31	-2.0	-93.85	271.14	2.91	-90.94
O=C([O-])C[C@H](NC(=O)CCC1=NN=N[N-]1)C1CC1	REAL250004702857	1	31	-2.0	-93.84	271.20	2.92	-90.92
CC(C)C[C@@H](CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702858	0	36	-2.0	-93.05	298.47	3.65	-89.40
CC(C)C[C@@H](CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702858	1	36	-2.0	-93.06	298.52	3.67	-89.39
CC(C)C[C@H](CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702859	0	36	-2.0	-92.76	302.51	3.28	-89.48
CC(C)C[C@H](CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702859	1	36	-2.0	-92.72	302.57	3.29	-89.43
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)CCC1=N[N-]N=N1	REAL250004702860	0	31	-2.0	-103.32	285.35	2.52	-100.80
O=C([O-])[C@@H](CC1=CN=CN1)NC(=O)CCC1=N[N-]N=N1	REAL250004702860	1	31	-2.0	-98.01	287.09	1.94	-96.07
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)CCC1=NN=N[N-]1	REAL250004702860	1	31	-2.0	-103.30	285.41	2.54	-100.76
CN(C(=O)CCC1=N[N-]N=N1)C(C(=O)[O-])C1=CC=CN=C1	REAL250004702861	0	33	-2.0	-93.30	286.15	3.15	-90.15
CN(C(=O)CCC1=NN=N[N-]1)C(C(=O)[O-])C1=CC=CN=C1	REAL250004702861	1	33	-2.0	-93.32	286.20	3.17	-90.15
O=C([O-])C1=C(CNC(=O)CCC2=N[N-]N=N2)NC=N1	REAL250004702862	0	28	-2.0	-104.12	264.11	0.61	-103.51
O=C([O-])C1=C(CNC(=O)CCC2=NN=N[N-]2)NC=N1	REAL250004702862	1	28	-2.0	-104.17	264.17	0.63	-103.54
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CCC1=N[N-]N=N1	REAL250004702863	0	32	-2.0	-104.80	270.05	3.94	-100.86
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CCC1=NN=N[N-]1	REAL250004702863	1	32	-2.0	-104.84	270.11	3.95	-100.89
CC(C)(C=CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702864	0	31	-2.0	-88.48	269.52	2.45	-86.03
CC(C)(C=CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702864	1	31	-2.0	-88.49	269.58	2.46	-86.03
O=C([O-])[C@H]1CC[C@H](CNC(=O)CCC2=N[N-]N=N2)CC1	REAL250004702865	0	37	-2.0	-89.39	307.13	3.63	-85.76
O=C([O-])[C@H]1CC[C@H](CNC(=O)CCC2=NN=N[N-]2)CC1	REAL250004702865	1	37	-2.0	-89.40	307.19	3.64	-85.76
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CCC1=N[N-]N=N1	REAL250004702866	0	31	-2.0	-90.50	271.84	3.46	-87.04
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CCC1=NN=N[N-]1	REAL250004702866	1	31	-2.0	-90.52	271.90	3.48	-87.04
O=C(CCC1=N[N-]N=N1)NC(CC1CCCCC1)C(=O)[O-]	REAL250004702867	0	40	-2.0	-97.41	327.43	4.80	-92.61
O=C(CCC1=NN=N[N-]1)NC(CC1CCCCC1)C(=O)[O-]	REAL250004702867	1	40	-2.0	-97.37	327.49	4.82	-92.55
O=C(CCC1=N[N-]N=N1)NC(C(=O)[O-])C1CC2CCC1C2	REAL250004702868	0	38	-2.0	-99.26	309.10	4.38	-94.88
O=C(CCC1=NN=N[N-]1)NC(C(=O)[O-])C1CC2CCC1C2	REAL250004702868	1	38	-2.0	-99.25	309.13	4.40	-94.85
O=C([O-])[C@H]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)CC1	REAL250004702869	0	34	-2.0	-92.04	284.28	3.35	-88.69
O=C([O-])[C@H]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)CC1	REAL250004702869	1	34	-2.0	-92.09	284.34	3.37	-88.72
O=C([O-])CC[C@H]1C[C@@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL250004702870	0	34	-2.0	-88.89	296.00	3.20	-85.69
O=C([O-])CC[C@H]1C[C@@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL250004702870	1	34	-2.0	-88.89	296.06	3.22	-85.67
CC1(C)CN(C(=O)CCC2=N[N-]N=N2)C1C(=O)[O-]	REAL250004702871	0	31	-2.0	-103.62	269.79	4.03	-99.59
CC1(C)CN(C(=O)CCC2=NN=N[N-]2)C1C(=O)[O-]	REAL250004702871	1	31	-2.0	-103.61	269.85	4.04	-99.57
O=C([O-])C[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1O	REAL250004702872	0	32	-2.0	-96.70	279.26	-0.07	-96.77
O=C([O-])C[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1O	REAL250004702872	1	32	-2.0	-96.71	279.32	-0.06	-96.77
O=C([O-])[C@H]1CC[C@H](NC(=O)CCC2=N[N-]N=N2)CC1	REAL250004702873	0	34	-2.0	-90.23	287.39	2.91	-87.32
O=C([O-])[C@H]1CC[C@H](NC(=O)CCC2=NN=N[N-]2)CC1	REAL250004702873	1	34	-2.0	-90.23	287.45	2.92	-87.31
CC1(C(=O)[O-])CCCCC1NC(=O)CCC1=N[N-]N=N1	REAL250004702874	0	37	-2.0	-97.49	295.48	3.68	-93.81
CC1(C(=O)[O-])CCCCC1NC(=O)CCC1=NN=N[N-]1	REAL250004702874	1	37	-2.0	-97.48	295.53	3.70	-93.78
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCC1=N[N-]N=N1	REAL250004702875	0	31	-2.0	-95.59	282.01	4.02	-91.57
CC1=CC(C(=O)[O-])=C(F)C=C1NC(=O)CCC1=NN=N[N-]1	REAL250004702875	1	31	-2.0	-95.59	282.07	4.04	-91.55
O=C([O-])CCOCCNC(=O)CCC1=N[N-]N=N1	REAL250004702876	0	31	-2.0	-87.42	282.27	0.48	-86.94
O=C([O-])CCOCCNC(=O)CCC1=NN=N[N-]1	REAL250004702876	1	31	-2.0	-87.44	282.33	0.50	-86.94
O=C(CCC1=N[N-]N=N1)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL250004702877	0	40	-2.0	-97.41	327.40	4.81	-92.60
O=C(CCC1=NN=N[N-]1)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL250004702877	1	40	-2.0	-97.35	327.46	4.82	-92.53
CC(C(=O)[O-])C1CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702878	0	34	-2.0	-95.44	277.19	3.98	-91.46
CC(C(=O)[O-])C1CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702878	1	34	-2.0	-95.41	277.25	4.00	-91.41
CN(CCCCC(=O)[O-])C(=O)CCC1=N[N-]N=N1	REAL250004702879	0	33	-2.0	-90.89	287.90	4.06	-86.83
CN(CCCCC(=O)[O-])C(=O)CCC1=NN=N[N-]1	REAL250004702879	1	33	-2.0	-90.87	287.96	4.07	-86.80
O=C(CCC1=N[N-]N=N1)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL250004702880	0	40	-2.0	-97.60	327.62	4.72	-92.88
O=C(CCC1=NN=N[N-]1)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL250004702880	1	40	-2.0	-97.54	327.68	4.74	-92.80
CC1(C)C(CC(=O)[O-])CC1NC(=O)CCC1=N[N-]N=N1	REAL250004702881	0	37	-2.0	-91.61	307.15	3.69	-87.92
CC1(C)C(CC(=O)[O-])CC1NC(=O)CCC1=NN=N[N-]1	REAL250004702881	1	37	-2.0	-91.61	307.20	3.71	-87.90
O=C([O-])C1CC2(CCCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL250004702882	0	38	-2.0	-102.81	306.10	4.94	-97.87
O=C([O-])C1CC2(CCCC2)CN1C(=O)CCC1=NN=N[N-]1	REAL250004702882	1	38	-2.0	-102.79	306.16	4.96	-97.83
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CCC1=N[N-]N=N1	REAL250004702883	0	38	-2.0	-104.75	305.36	5.04	-99.71
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CCC1=NN=N[N-]1	REAL250004702883	1	38	-2.0	-104.74	305.41	5.05	-99.69
C=CCSCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702884	0	32	-2.0	-95.56	305.04	3.41	-92.15
C=CCSCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702884	1	32	-2.0	-95.57	305.10	3.42	-92.15
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL250004702885	0	34	-2.0	-104.66	297.93	4.76	-99.90
CCC1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL250004702885	1	34	-2.0	-104.65	297.99	4.77	-99.88
COC[C@@H](CC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702886	0	31	-2.0	-93.69	278.70	0.68	-93.01
COC[C@@H](CC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702886	1	31	-2.0	-93.71	278.75	0.69	-93.02
O=C(CCC1=N[N-]N=N1)N[C@@H]1CCC[C@H](C(=O)[O-])C1	REAL250004702887	0	34	-2.0	-88.13	288.17	2.91	-85.22
O=C(CCC1=NN=N[N-]1)N[C@@H]1CCC[C@H](C(=O)[O-])C1	REAL250004702887	1	34	-2.0	-88.12	288.23	2.93	-85.19
O=C([O-])[C@H]1CC[C@H](NC(=O)CCC2=N[N-]N=N2)CC1	REAL250004702888	0	34	-2.0	-90.23	287.39	2.91	-87.32
O=C([O-])[C@H]1CC[C@H](NC(=O)CCC2=NN=N[N-]2)CC1	REAL250004702888	1	34	-2.0	-90.23	287.45	2.92	-87.31
O=C([O-])C1(CF)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702889	0	31	-2.0	-92.12	273.11	3.14	-88.98
O=C([O-])C1(CF)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702889	1	31	-2.0	-92.14	273.17	3.16	-88.98
O=C([O-])CC1(NC(=O)CCC2=N[N-]N=N2)CCOC1	REAL250004702890	0	32	-2.0	-91.95	271.80	0.74	-91.21
O=C([O-])CC1(NC(=O)CCC2=NN=N[N-]2)CCOC1	REAL250004702890	1	32	-2.0	-91.99	271.86	0.75	-91.24
O=C(CCC1=N[N-]N=N1)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL250004702891	0	34	-2.0	-88.17	288.18	2.91	-85.26
O=C(CCC1=NN=N[N-]1)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL250004702891	1	34	-2.0	-88.19	288.23	2.93	-85.26
CCC(C(=O)[O-])N(CC)C(=O)CCC1=N[N-]N=N1	REAL250004702892	0	33	-2.0	-90.75	270.13	3.90	-86.85
CCC(C(=O)[O-])N(CC)C(=O)CCC1=NN=N[N-]1	REAL250004702892	1	33	-2.0	-90.75	270.18	3.92	-86.83
COC1(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])CCC1	REAL250004702893	0	35	-2.0	-95.20	294.90	1.21	-93.99
COC1(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])CCC1	REAL250004702893	1	35	-2.0	-95.20	294.95	1.22	-93.98
O=C(CCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(C1)CO2	REAL250004702894	0	33	-2.0	-86.05	292.78	0.87	-85.18
O=C(CCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(C1)CO2	REAL250004702894	1	33	-2.0	-86.09	292.84	0.87	-85.22
O=C([O-])CC1(CNC(=O)CCC2=N[N-]N=N2)CC1	REAL250004702895	0	31	-2.0	-92.47	276.36	2.40	-90.07
O=C([O-])CC1(CNC(=O)CCC2=NN=N[N-]2)CC1	REAL250004702895	1	31	-2.0	-92.45	276.42	2.41	-90.04
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCC1=N[N-]N=N1	REAL250004702896	0	28	-2.0	-99.50	254.12	3.09	-96.41
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCC1=NN=N[N-]1	REAL250004702896	1	28	-2.0	-99.49	254.18	3.10	-96.39
O=C([O-])C1C2C=CC(C2)N1C(=O)CCC1=N[N-]N=N1	REAL250004702897	0	30	-2.0	-103.54	260.49	3.94	-99.60
O=C([O-])C1C2C=CC(C2)N1C(=O)CCC1=NN=N[N-]1	REAL250004702897	1	30	-2.0	-103.51	260.54	3.95	-99.56
CC1(C)CCN(C(=O)CCC2=N[N-]N=N2)C1C(=O)[O-]	REAL250004702898	0	34	-2.0	-105.20	282.91	4.06	-101.14
CC1(C)CCN(C(=O)CCC2=NN=N[N-]2)C1C(=O)[O-]	REAL250004702898	1	34	-2.0	-105.15	282.97	4.08	-101.07
O=C([O-])C1CCC2(CCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL250004702899	0	38	-2.0	-108.23	303.77	6.10	-102.13
O=C([O-])C1CCC2(CCC2)CN1C(=O)CCC1=NN=N[N-]1	REAL250004702899	1	38	-2.0	-108.17	303.82	6.11	-102.06
O=C([O-])CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004702900	0	34	-2.0	-87.72	308.21	4.04	-83.68
O=C([O-])CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004702900	1	34	-2.0	-87.74	308.27	4.06	-83.68
CC(C)CCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702901	0	36	-2.0	-96.30	307.86	3.60	-92.70
CC(C)CCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702901	1	36	-2.0	-96.30	307.92	3.62	-92.68
O=C(CCC1=N[N-]N=N1)NC12CC(C(=O)[O-])(C1)C2	REAL250004702902	0	29	-2.0	-90.61	263.52	1.94	-88.67
O=C(CCC1=NN=N[N-]1)NC12CC(C(=O)[O-])(C1)C2	REAL250004702902	1	29	-2.0	-90.60	263.58	1.95	-88.65
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL250004702903	0	37	-2.0	-91.01	308.15	3.53	-87.48
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL250004702903	1	37	-2.0	-91.02	308.21	3.54	-87.48
CCC(CCC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004702904	0	33	-2.0	-88.43	281.94	2.76	-85.67
CCC(CCC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004702904	1	33	-2.0	-88.45	281.99	2.77	-85.68
O=C(CCC1=N[N-]N=N1)NC1CCCC(C(=O)[O-])CC1	REAL250004702905	0	37	-2.0	-89.02	297.44	3.27	-85.75
O=C(CCC1=NN=N[N-]1)NC1CCCC(C(=O)[O-])CC1	REAL250004702905	1	37	-2.0	-89.03	297.50	3.29	-85.74
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)CC12CCCC2	REAL250004702906	0	38	-2.0	-101.03	304.19	4.68	-96.35
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)CC12CCCC2	REAL250004702906	1	38	-2.0	-101.03	304.25	4.70	-96.33
O=C([O-])C1CC2(CCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL250004702907	0	35	-2.0	-103.68	292.23	4.54	-99.14
O=C([O-])C1CC2(CCC2)CN1C(=O)CCC1=NN=N[N-]1	REAL250004702907	1	35	-2.0	-103.65	292.29	4.56	-99.09
O=C(CCC1=N[N-]N=N1)NC(CC1CCOC1)C(=O)[O-]	REAL250004702908	0	35	-2.0	-96.14	302.15	1.59	-94.55
O=C(CCC1=NN=N[N-]1)NC(CC1CCOC1)C(=O)[O-]	REAL250004702908	1	35	-2.0	-96.15	302.21	1.61	-94.54
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702909	0	32	-2.0	-99.00	290.05	4.61	-94.39
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702909	1	32	-2.0	-98.96	290.11	4.62	-94.34
CC1=C(NC(=O)CCC2=NN=N[N-]2)N(C)N=C1C(=O)[O-]	REAL250004702910	0	31	-2.0	-92.62	276.20	2.29	-90.33
CC1=C(NC(=O)CCC2=N[N-]N=N2)N(C)N=C1C(=O)[O-]	REAL250004702910	1	31	-2.0	-92.65	276.14	2.27	-90.38
CO[C@@]1(CNC(=O)CCC2=N[N-]N=N2)C[C@@H](C(=O)[O-])C1	REAL250004702911	0	35	-2.0	-89.55	300.89	1.19	-88.36
CO[C@@]1(CNC(=O)CCC2=NN=N[N-]2)C[C@@H](C(=O)[O-])C1	REAL250004702911	1	35	-2.0	-89.55	300.95	1.20	-88.35
CC1OC2(CNC(=O)CCC3=N[N-]N=N3)CC1(C(=O)[O-])C2	REAL250004702912	0	36	-2.0	-85.60	308.14	1.42	-84.18
CC1OC2(CNC(=O)CCC3=NN=N[N-]3)CC1(C(=O)[O-])C2	REAL250004702912	1	36	-2.0	-85.61	308.21	1.44	-84.17
CN1N=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL250004702913	0	28	-2.0	-102.70	261.77	1.93	-100.77
CN1N=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL250004702913	1	28	-2.0	-102.72	261.71	1.91	-100.81
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CC(O)C1	REAL250004702914	0	29	-2.0	-102.71	258.70	-0.78	-103.49
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CC(O)C1	REAL250004702914	1	29	-2.0	-102.65	258.76	-0.77	-103.42
CC1(C)[C@H](NC(=O)CCC2=N[N-]N=N2)C[C@@H]1C(=O)[O-]	REAL250004702915	0	34	-2.0	-87.28	283.92	2.78	-84.50
CC1(C)[C@H](NC(=O)CCC2=NN=N[N-]2)C[C@@H]1C(=O)[O-]	REAL250004702915	1	34	-2.0	-87.26	283.98	2.80	-84.46
CC1(C(=O)[O-])CC(NC(=O)CCC2=N[N-]N=N2)C1	REAL250004702916	0	31	-2.0	-95.26	270.82	2.09	-93.17
CC1(C(=O)[O-])CC(NC(=O)CCC2=NN=N[N-]2)C1	REAL250004702916	1	31	-2.0	-95.24	270.88	2.11	-93.13
CC(C)(C)CC(CNC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702917	0	39	-2.0	-91.58	317.12	3.43	-88.15
CC(C)(C)CC(CNC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702917	1	39	-2.0	-91.59	317.17	3.44	-88.15
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC2CCC1C2	REAL250004702918	0	38	-2.0	-94.84	305.67	3.87	-90.97
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC2CCC1C2	REAL250004702918	1	38	-2.0	-94.86	305.72	3.89	-90.97
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C2(CC2)C1	REAL250004702919	0	35	-2.0	-88.97	290.75	4.54	-84.43
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C2(CC2)C1	REAL250004702919	1	35	-2.0	-88.98	290.81	4.55	-84.43
O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCC1=N[N-]N=N1)CCC2	REAL250004702920	0	38	-2.0	-95.89	298.92	4.65	-91.24
O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCC1=NN=N[N-]1)CCC2	REAL250004702920	1	38	-2.0	-95.88	298.98	4.67	-91.21
O=C([O-])C12CCC(CC1)CN2C(=O)CCC1=N[N-]N=N1	REAL250004702921	0	35	-2.0	-111.66	281.41	5.22	-106.44
O=C([O-])C12CCC(CC1)CN2C(=O)CCC1=NN=N[N-]1	REAL250004702921	1	35	-2.0	-111.59	281.47	5.23	-106.36
O=C(CCC1=N[N-]N=N1)NC1(C(=O)[O-])CCCC2CC21	REAL250004702922	0	35	-2.0	-102.95	285.38	4.34	-98.61
O=C(CCC1=NN=N[N-]1)NC1(C(=O)[O-])CCCC2CC21	REAL250004702922	1	35	-2.0	-102.95	285.44	4.35	-98.60
O=C(CCC1=N[N-]N=N1)NC1(C(=O)[O-])CCC2CC21	REAL250004702923	0	32	-2.0	-103.44	269.80	3.69	-99.75
O=C(CCC1=NN=N[N-]1)NC1(C(=O)[O-])CCC2CC21	REAL250004702923	1	32	-2.0	-103.43	269.86	3.70	-99.73
O=C(CCC1=N[N-]N=N1)NC1(C(=O)[O-])CC2(CCC2)C1	REAL250004702924	0	35	-2.0	-103.09	291.05	3.98	-99.11
O=C(CCC1=NN=N[N-]1)NC1(C(=O)[O-])CC2(CCC2)C1	REAL250004702924	1	35	-2.0	-103.11	291.11	4.00	-99.11
O=C(CCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCCC1	REAL250004702925	0	34	-2.0	-98.51	283.50	3.06	-95.45
O=C(CCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCCC1	REAL250004702925	1	34	-2.0	-98.57	283.56	3.07	-95.50
CO[C@H](C)[C@H](NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702926	0	31	-2.0	-98.47	276.81	0.79	-97.68
CO[C@H](C)[C@H](NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702926	1	31	-2.0	-98.46	276.87	0.81	-97.65
O=C([O-])CC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL250004702927	0	34	-2.0	-97.50	302.89	4.12	-93.38
O=C([O-])CC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL250004702927	1	34	-2.0	-97.50	302.94	4.14	-93.36
O=C([O-])CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004702928	0	37	-2.0	-113.71	293.72	4.94	-108.77
O=C([O-])CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004702928	1	37	-2.0	-113.72	293.77	4.94	-108.78
CC(CC(=O)[O-])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004702929	0	40	-2.0	-112.64	306.32	5.39	-107.25
CC(CC(=O)[O-])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004702929	1	40	-2.0	-112.66	306.37	5.39	-107.27
O=C([O-])COCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004702930	0	35	-2.0	-117.94	285.85	3.91	-114.03
O=C([O-])COCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004702930	1	35	-2.0	-117.95	285.90	3.92	-114.03
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004702931	0	38	-2.0	-126.45	288.31	5.28	-121.17
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004702931	1	38	-2.0	-126.38	288.39	5.31	-121.07
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004702932	0	38	-2.0	-126.45	288.31	5.28	-121.17
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004702932	1	38	-2.0	-126.38	288.39	5.31	-121.07
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004702933	0	35	-2.0	-112.92	284.03	4.71	-108.21
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004702933	1	35	-2.0	-112.89	284.08	4.73	-108.16
CCC(C(=O)[O-])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004702934	0	37	-2.0	-94.14	287.92	4.24	-89.90
CCC(C(=O)[O-])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004702934	1	37	-2.0	-94.04	287.99	4.25	-89.79
CC(C)C(C(=O)[O-])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004702935	0	40	-2.0	-98.08	295.36	4.95	-93.13
CC(C)C(C(=O)[O-])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004702935	1	40	-2.0	-98.10	295.35	4.96	-93.14
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004702936	0	35	-2.0	-95.68	287.28	4.45	-91.23
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004702936	1	35	-2.0	-95.68	287.35	4.47	-91.21
O=C([O-])[C@H]1C[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL250004702937	0	38	-2.0	-103.46	302.67	4.90	-98.56
O=C([O-])[C@H]1C[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL250004702937	1	38	-2.0	-103.48	302.73	4.91	-98.57
CCCC(C(=O)[O-])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004702938	0	40	-2.0	-96.25	314.31	5.01	-91.24
CCCC(C(=O)[O-])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004702938	1	40	-2.0	-96.21	314.38	5.02	-91.19
COC(C(=O)[O-])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004702939	0	35	-2.0	-121.02	279.35	3.40	-117.62
COC(C(=O)[O-])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004702939	1	35	-2.0	-121.03	279.40	3.40	-117.63
C[C@]1(C(=O)N2CCCCC2CC2=N[N-]N=N2)C[C@H]1C(=O)[O-]	REAL250004702940	0	38	-2.0	-106.28	302.09	5.54	-100.74
C[C@]1(C(=O)N2CCCCC2CC2=NN=N[N-]2)C[C@H]1C(=O)[O-]	REAL250004702940	1	38	-2.0	-106.28	302.17	5.57	-100.71
CC(C(=O)[O-])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004702941	0	34	-2.0	-125.96	266.79	3.95	-122.01
CC(C(=O)[O-])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004702941	1	34	-2.0	-125.85	266.85	3.95	-121.90
CC1[C@@H](C)[C@@]1(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702942	0	31	-2.0	-103.25	266.47	3.16	-100.09
CC1[C@@H](C)[C@@]1(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702942	1	31	-2.0	-103.24	266.53	3.17	-100.07
O=C([O-])CN(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL250004702943	0	34	-2.0	-97.41	304.49	6.08	-91.33
O=C([O-])CN(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL250004702943	1	34	-2.0	-97.40	304.54	6.09	-91.31
CC1(C)CC(C(=O)[O-])N(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702944	0	34	-2.0	-102.94	284.20	3.75	-99.19
CC1(C)CC(C(=O)[O-])N(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702944	1	34	-2.0	-102.94	284.25	3.77	-99.17
CC(C)(C(=O)[O-])C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702945	0	40	-2.0	-89.70	311.36	4.77	-84.93
CC(C)(C(=O)[O-])C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702945	1	40	-2.0	-89.68	311.41	4.79	-84.89
CC1(C(=O)[O-])CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL250004702946	0	32	-2.0	-90.76	271.36	2.58	-88.18
CC1(C(=O)[O-])CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL250004702946	1	32	-2.0	-90.79	271.42	2.60	-88.19
CC(C)(C(=O)[O-])C1=CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702947	0	38	-2.0	-94.97	306.06	4.87	-90.10
CC(C)(C(=O)[O-])C1=CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702947	1	38	-2.0	-94.97	306.12	4.88	-90.09
O=C([O-])C12CC1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL250004702948	0	29	-2.0	-97.45	261.22	3.31	-94.14
O=C([O-])C12CC1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL250004702948	1	29	-2.0	-97.47	261.28	3.32	-94.15
O=C(CCC1=N[N-]N=N1)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL250004702949	0	31	-2.0	-91.84	265.35	2.73	-89.11
O=C(CCC1=NN=N[N-]1)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL250004702949	1	31	-2.0	-91.85	265.40	2.75	-89.10
O=C([O-])C1CC(F)(F)CCN1C(=O)CCC1=N[N-]N=N1	REAL250004702950	0	31	-2.0	-101.68	269.72	4.63	-97.05
O=C([O-])C1CC(F)(F)CCN1C(=O)CCC1=NN=N[N-]1	REAL250004702950	1	31	-2.0	-101.64	269.78	4.65	-96.99
O=C([O-])C1N(C(=O)CCC2=N[N-]N=N2)CCC1(F)F	REAL250004702951	0	28	-2.0	-102.73	259.44	3.15	-99.58
O=C([O-])C1N(C(=O)CCC2=NN=N[N-]2)CCC1(F)F	REAL250004702951	1	28	-2.0	-102.74	259.50	3.17	-99.57
C=CCN(CCC(=O)[O-])C(=O)CCC1=N[N-]N=N1	REAL250004702952	0	31	-2.0	-90.82	278.87	3.98	-86.84
C=CCN(CCC(=O)[O-])C(=O)CCC1=NN=N[N-]1	REAL250004702952	1	31	-2.0	-90.85	278.92	4.00	-86.85
CN(C(=O)CCC1=N[N-]N=N1)C1(CC(=O)[O-])CC1	REAL250004702953	0	31	-2.0	-94.95	266.94	3.61	-91.34
CN(C(=O)CCC1=NN=N[N-]1)C1(CC(=O)[O-])CC1	REAL250004702953	1	31	-2.0	-94.99	267.00	3.63	-91.36
O=C([O-])C(CC1=CSC=C1)NC(=O)CCC1=N[N-]N=N1	REAL250004702954	0	31	-2.0	-95.87	296.54	3.46	-92.41
O=C([O-])C(CC1=CSC=C1)NC(=O)CCC1=NN=N[N-]1	REAL250004702954	1	31	-2.0	-95.85	296.59	3.48	-92.37
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL250004702955	0	35	-2.0	-91.61	281.86	3.97	-87.64
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL250004702955	1	35	-2.0	-91.60	281.92	4.00	-87.60
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CCC1=N[N-]N=N1	REAL250004702956	0	31	-2.0	-94.50	275.87	4.10	-90.40
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)CCC1=NN=N[N-]1	REAL250004702956	1	31	-2.0	-94.48	275.93	4.12	-90.36
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CCC1=N[N-]N=N1	REAL250004702957	0	35	-2.0	-105.70	285.24	4.82	-100.88
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CCC1=NN=N[N-]1	REAL250004702957	1	35	-2.0	-105.63	285.30	4.83	-100.80
O=C([O-])C[C@H]1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702958	0	31	-2.0	-86.29	269.56	3.32	-82.97
O=C([O-])C[C@H]1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702958	1	31	-2.0	-86.28	269.62	3.33	-82.95
O=C([O-])C1=COC2=C1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL250004702959	0	29	-2.0	-92.59	271.67	2.97	-89.62
O=C([O-])C1=COC2=C1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL250004702959	1	29	-2.0	-92.59	271.72	2.99	-89.60
O=C([O-])C1COCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702960	0	32	-2.0	-93.79	270.41	1.91	-91.88
O=C([O-])C1COCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702960	1	32	-2.0	-93.78	270.47	1.93	-91.85
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL250004702961	0	32	-2.0	-94.35	275.49	3.08	-91.27
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL250004702961	1	32	-2.0	-94.35	275.55	3.10	-91.25
O=C([O-])CC1CC(NC(=O)CCC2=N[N-]N=N2)CCO1	REAL250004702962	0	35	-2.0	-91.77	296.26	2.32	-89.45
O=C([O-])CC1CC(NC(=O)CCC2=NN=N[N-]2)CCO1	REAL250004702962	1	35	-2.0	-91.77	296.32	2.34	-89.43
O=C([O-])CC1(NC(=O)CCC2=N[N-]N=N2)CCC1	REAL250004702963	0	31	-2.0	-95.08	268.54	2.51	-92.57
O=C([O-])CC1(NC(=O)CCC2=NN=N[N-]2)CCC1	REAL250004702963	1	31	-2.0	-95.09	268.60	2.52	-92.57
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC2(CCC2)C1	REAL250004702964	0	38	-2.0	-91.97	315.35	4.23	-87.74
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC2(CCC2)C1	REAL250004702964	1	38	-2.0	-91.93	315.40	4.25	-87.68
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C12CCC2	REAL250004702965	0	35	-2.0	-88.37	283.75	4.02	-84.35
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C12CCC2	REAL250004702965	1	35	-2.0	-88.36	283.80	4.04	-84.32
O=C([O-])CC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702966	0	34	-2.0	-98.97	281.35	3.99	-94.98
O=C([O-])CC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702966	1	34	-2.0	-98.93	281.41	4.01	-94.92
O=C([O-])C[C@H]1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702967	0	34	-2.0	-98.95	281.28	3.99	-94.96
O=C([O-])C[C@H]1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702967	1	34	-2.0	-98.92	281.34	4.00	-94.92
O=C([O-])C[C@@H]1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702968	0	34	-2.0	-98.99	281.33	4.00	-94.99
O=C([O-])C[C@@H]1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702968	1	34	-2.0	-99.02	281.39	4.01	-95.01
O=C([O-])[C@@H]1CC12CC(NC(=O)CCC1=N[N-]N=N1)C2	REAL250004702969	0	32	-2.0	-89.10	285.47	3.10	-86.00
O=C([O-])[C@@H]1CC12CC(NC(=O)CCC1=NN=N[N-]1)C2	REAL250004702969	1	32	-2.0	-89.08	285.53	3.12	-85.96
O=C([O-])CC1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004702970	0	34	-2.0	-107.57	273.97	4.95	-102.62
O=C([O-])CC1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004702970	1	34	-2.0	-107.57	274.03	4.96	-102.61
COCCCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702971	0	34	-2.0	-96.80	302.47	1.38	-95.42
COCCCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702971	1	34	-2.0	-96.75	302.52	1.39	-95.36
O=C([O-])C1=C2CN(C(=O)CCC3=N[N-]N=N3)CCN2C=C1	REAL250004702972	0	33	-2.0	-104.44	288.13	4.30	-100.14
O=C([O-])C1=C2CN(C(=O)CCC3=NN=N[N-]3)CCN2C=C1	REAL250004702972	1	33	-2.0	-104.45	288.19	4.32	-100.13
CN(C(=O)CCC1=N[N-]N=N1)C(CC(=O)[O-])C(F)F	REAL250004702973	0	30	-2.0	-95.89	265.25	3.74	-92.15
CN(C(=O)CCC1=NN=N[N-]1)C(CC(=O)[O-])C(F)F	REAL250004702973	1	30	-2.0	-95.86	265.31	3.75	-92.11
O=C([O-])C1=NNC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702974	0	25	-2.0	-98.47	240.65	0.62	-97.85
O=C([O-])C1=NNC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702974	1	25	-2.0	-98.50	240.71	0.64	-97.86
O=C(CCC1=N[N-]N=N1)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL250004702975	0	32	-2.0	-91.44	288.42	2.98	-88.46
O=C(CCC1=NN=N[N-]1)NC1=C(C2CC2)C(C(=O)[O-])=NN1	REAL250004702975	1	32	-2.0	-91.46	288.47	2.99	-88.47
O=C([O-])C1=NNC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702976	0	28	-2.0	-92.68	267.48	-0.32	-93.00
O=C([O-])C1=NNC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702976	1	28	-2.0	-92.70	267.54	-0.31	-93.01
CC1=C(NC(=O)CCC2=N[N-]N=N2)NN=C1C(=O)[O-]	REAL250004702977	0	28	-2.0	-90.84	258.44	1.40	-89.44
CC1=C(NC(=O)CCC2=NN=N[N-]2)NN=C1C(=O)[O-]	REAL250004702977	1	28	-2.0	-90.85	258.50	1.42	-89.43
CCC1=C(C(=O)[O-])SC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004702978	0	31	-2.0	-95.97	287.55	3.59	-92.38
CCC1=C(C(=O)[O-])SC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004702978	1	31	-2.0	-95.93	287.60	3.61	-92.32
CCCC(C(=O)[O-])N(C)C(=O)CCC1=N[N-]N=N1	REAL250004702979	0	33	-2.0	-90.63	280.23	4.08	-86.55
CCCC(C(=O)[O-])N(C)C(=O)CCC1=NN=N[N-]1	REAL250004702979	1	33	-2.0	-90.61	280.29	4.10	-86.51
CCOCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702980	0	31	-2.0	-99.07	281.01	0.75	-98.32
CCOCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702980	1	31	-2.0	-99.09	281.07	0.77	-98.32
CC1(C)C(CC(=O)[O-])CCN1C(=O)CCC1=N[N-]N=N1	REAL250004702981	0	37	-2.0	-85.11	298.85	4.44	-80.67
CC1(C)C(CC(=O)[O-])CCN1C(=O)CCC1=NN=N[N-]1	REAL250004702981	1	37	-2.0	-85.11	298.91	4.45	-80.66
CC(C)(C)CC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702982	0	36	-2.0	-97.16	298.13	3.99	-93.17
CC(C)(C)CC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702982	1	36	-2.0	-97.10	298.19	4.01	-93.09
CC1(C)C(C(=O)[O-])CCN1C(=O)CCC1=N[N-]N=N1	REAL250004702983	0	34	-2.0	-87.67	277.81	3.77	-83.90
CC1(C)C(C(=O)[O-])CCN1C(=O)CCC1=NN=N[N-]1	REAL250004702983	1	34	-2.0	-87.67	277.87	3.78	-83.89
CC(NC(=O)CCC1=N[N-]N=N1)C1=NC(C(=O)[O-])=CS1	REAL250004702984	0	30	-2.0	-94.96	291.33	1.11	-93.85
CC(NC(=O)CCC1=NN=N[N-]1)C1=NC(C(=O)[O-])=CS1	REAL250004702984	1	30	-2.0	-94.96	291.38	1.12	-93.84
O=C([O-])C1=CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702985	0	29	-2.0	-94.48	255.75	3.27	-91.21
O=C([O-])C1=CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702985	1	29	-2.0	-94.49	255.80	3.28	-91.21
O=C(CCC1=N[N-]N=N1)NCCC1(C(=O)[O-])CCC1	REAL250004702986	0	34	-2.0	-96.11	290.13	2.80	-93.31
O=C(CCC1=NN=N[N-]1)NCCC1(C(=O)[O-])CCC1	REAL250004702986	1	34	-2.0	-96.16	290.18	2.82	-93.34
CC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL250004702987	0	34	-2.0	-89.35	302.10	3.80	-85.55
CC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL250004702987	1	34	-2.0	-89.38	302.15	3.82	-85.56
CC1(C)CCC(CC(=O)[O-])N(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702988	0	40	-2.0	-107.09	310.69	6.28	-100.81
CC1(C)CCC(CC(=O)[O-])N(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702988	1	40	-2.0	-107.12	310.74	6.29	-100.83
O=C([O-])C1=CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004702989	0	29	-2.0	-91.08	255.34	3.27	-87.81
O=C([O-])C1=CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004702989	1	29	-2.0	-91.08	255.40	3.28	-87.80
O=C(CCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCCCO1	REAL250004702990	0	35	-2.0	-100.24	298.54	2.08	-98.16
O=C(CCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCCCO1	REAL250004702990	1	35	-2.0	-100.25	298.60	2.10	-98.15
O=C(CCC1=N[N-]N=N1)NC1CC2CCC1(C(=O)[O-])C2	REAL250004702991	0	35	-2.0	-110.95	287.86	4.28	-106.67
O=C(CCC1=NN=N[N-]1)NC1CC2CCC1(C(=O)[O-])C2	REAL250004702991	1	35	-2.0	-110.97	287.92	4.29	-106.68
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL250004702992	0	35	-2.0	-91.61	281.86	3.97	-87.64
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL250004702992	1	35	-2.0	-91.60	281.92	4.00	-87.60
CC(C)C(F)(CNC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004702993	0	33	-2.0	-89.98	287.91	2.36	-87.62
CC(C)C(F)(CNC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004702993	1	33	-2.0	-89.97	287.97	2.37	-87.60
C[C@H]1OCCN(C(=O)CCC2=N[N-]N=N2)[C@@H]1C(=O)[O-]	REAL250004702994	0	32	-2.0	-104.07	269.82	2.80	-101.27
C[C@H]1OCCN(C(=O)CCC2=NN=N[N-]2)[C@@H]1C(=O)[O-]	REAL250004702994	1	32	-2.0	-104.06	269.87	2.81	-101.25
O=C([O-])CC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004702995	0	34	-2.0	-98.97	281.35	3.99	-94.98
O=C([O-])CC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004702995	1	34	-2.0	-98.93	281.41	4.01	-94.92
O=C([O-])C1CC12CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL250004702996	0	35	-2.0	-92.59	291.80	4.66	-87.93
O=C([O-])C1CC12CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL250004702996	1	35	-2.0	-92.61	291.85	4.68	-87.93
CC1(C)CN(C(=O)CCC2=N[N-]N=N2)CC(C(=O)[O-])O1	REAL250004702997	0	35	-2.0	-92.46	292.85	3.33	-89.13
CC1(C)CN(C(=O)CCC2=NN=N[N-]2)CC(C(=O)[O-])O1	REAL250004702997	1	35	-2.0	-92.45	292.91	3.34	-89.11
O=C([O-])C1CC2CC1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL250004702998	0	35	-2.0	-97.37	284.21	4.82	-92.55
O=C([O-])C1CC2CC1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL250004702998	1	35	-2.0	-97.39	284.27	4.84	-92.55
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@H]2C1	REAL250004702999	0	35	-2.0	-105.70	292.37	4.30	-101.40
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@H]2C1	REAL250004702999	1	35	-2.0	-105.68	292.43	4.31	-101.37
O=C([O-])C1(C2CCC2)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004703000	0	38	-2.0	-97.70	308.29	4.74	-92.96
O=C([O-])C1(C2CCC2)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004703000	1	38	-2.0	-97.70	308.35	4.76	-92.94
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@@H]21	REAL250004703001	0	33	-2.0	-96.28	279.57	1.85	-94.43
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@@H]21	REAL250004703001	1	33	-2.0	-96.29	279.63	1.86	-94.43
CC(C)(C(=O)[O-])C1CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004703002	0	37	-2.0	-90.41	288.71	4.83	-85.58
CC(C)(C(=O)[O-])C1CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004703002	1	37	-2.0	-90.39	288.77	4.84	-85.55
CC1(C)CC(C(=O)[O-])CN1C(=O)CCC1=N[N-]N=N1	REAL250004703003	0	34	-2.0	-87.97	284.48	3.92	-84.05
CC1(C)CC(C(=O)[O-])CN1C(=O)CCC1=NN=N[N-]1	REAL250004703003	1	34	-2.0	-87.97	284.54	3.93	-84.04
O=C([O-])[C@]12CCN(C(=O)CCC3=N[N-]N=N3)[C@H]1CCCC2	REAL250004703004	0	38	-2.0	-99.56	299.80	4.75	-94.81
O=C([O-])[C@]12CCN(C(=O)CCC3=NN=N[N-]3)[C@H]1CCCC2	REAL250004703004	1	38	-2.0	-99.53	299.86	4.77	-94.76
O=C([O-])[C@]12CCN(C(=O)CCC3=N[N-]N=N3)[C@H]1CCCC2	REAL250004703005	0	38	-2.0	-99.56	299.80	4.75	-94.81
O=C([O-])[C@]12CCN(C(=O)CCC3=NN=N[N-]3)[C@H]1CCCC2	REAL250004703005	1	38	-2.0	-99.53	299.86	4.77	-94.76
O=C([O-])C1CC2(C1)CCCN2C(=O)CCC1=N[N-]N=N1	REAL250004703006	0	35	-2.0	-101.54	288.45	4.15	-97.39
O=C([O-])C1CC2(C1)CCCN2C(=O)CCC1=NN=N[N-]1	REAL250004703006	1	35	-2.0	-101.51	288.51	4.17	-97.34
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)C2(CCC2)CO1	REAL250004703007	0	36	-2.0	-92.15	294.76	3.30	-88.85
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)C2(CCC2)CO1	REAL250004703007	1	36	-2.0	-92.18	294.81	3.31	-88.87
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCCO1	REAL250004703008	0	32	-2.0	-93.95	281.16	1.36	-92.59
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCCO1	REAL250004703008	1	32	-2.0	-93.95	281.22	1.37	-92.58
O=C([O-])C1=NOC2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL250004703009	0	31	-2.0	-99.42	278.43	3.07	-96.35
O=C([O-])C1=NOC2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL250004703009	1	31	-2.0	-99.39	278.49	3.09	-96.30
CC1(C)COC(C(=O)[O-])CN1C(=O)CCC1=N[N-]N=N1	REAL250004703010	0	35	-2.0	-92.23	288.94	3.08	-89.15
CC1(C)COC(C(=O)[O-])CN1C(=O)CCC1=NN=N[N-]1	REAL250004703010	1	35	-2.0	-92.22	289.00	3.10	-89.12
O=C(CCC1=N[N-]N=N1)NCC12CCC(C(=O)[O-])(CO1)C2	REAL250004703011	0	36	-2.0	-86.50	307.28	1.52	-84.98
O=C(CCC1=NN=N[N-]1)NCC12CCC(C(=O)[O-])(CO1)C2	REAL250004703011	1	36	-2.0	-86.49	307.34	1.54	-84.95
O=C([O-])CC1COC(CNC(=O)CCC2=N[N-]N=N2)C1	REAL250004703012	0	35	-2.0	-88.56	301.59	1.18	-87.38
O=C([O-])CC1COC(CNC(=O)CCC2=NN=N[N-]2)C1	REAL250004703012	1	35	-2.0	-88.57	301.65	1.19	-87.38
O=C(CCC1=N[N-]N=N1)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL250004703013	0	29	-2.0	-86.15	270.77	2.11	-84.04
O=C(CCC1=NN=N[N-]1)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL250004703013	1	29	-2.0	-86.18	270.83	2.13	-84.05
O=C([O-])C1(CNC(=O)CCC2=N[N-]N=N2)CC=CC1	REAL250004703014	0	32	-2.0	-90.90	279.60	3.07	-87.83
O=C([O-])C1(CNC(=O)CCC2=NN=N[N-]2)CC=CC1	REAL250004703014	1	32	-2.0	-90.85	279.66	3.09	-87.76
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1	REAL250004703015	0	28	-2.0	-104.50	259.99	3.15	-101.35
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1	REAL250004703015	1	28	-2.0	-104.51	260.04	3.16	-101.35
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(F)=C1C(=O)[O-]	REAL250004703016	0	31	-2.0	-94.86	280.68	3.72	-91.14
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(F)=C1C(=O)[O-]	REAL250004703016	1	31	-2.0	-94.83	280.74	3.73	-91.10
O=C([O-])CN(CC1=CC=CO1)C(=O)CCC1=N[N-]N=N1	REAL250004703017	0	31	-2.0	-97.51	286.15	4.22	-93.29
O=C([O-])CN(CC1=CC=CO1)C(=O)CCC1=NN=N[N-]1	REAL250004703017	1	31	-2.0	-97.48	286.20	4.23	-93.25
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004703018	0	32	-2.0	-89.86	279.60	5.01	-84.85
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004703018	1	32	-2.0	-89.88	279.66	5.02	-84.86
O=C([O-])CCC1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004703019	0	34	-2.0	-88.18	292.03	4.11	-84.07
O=C([O-])CCC1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004703019	1	34	-2.0	-88.14	292.09	4.13	-84.01
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCC2=N[N-]N=N2)C1	REAL250004703020	0	35	-2.0	-98.51	301.08	3.46	-95.05
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCC2=NN=N[N-]2)C1	REAL250004703020	1	35	-2.0	-98.48	301.14	3.48	-95.00
O=C(CCC1=N[N-]N=N1)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL250004703021	0	31	-2.0	-96.40	270.48	2.29	-94.11
O=C(CCC1=NN=N[N-]1)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL250004703021	1	31	-2.0	-96.40	270.54	2.30	-94.10
O=C([O-])COCC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004703022	0	38	-2.0	-90.83	319.17	4.13	-86.70
O=C([O-])COCC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004703022	1	38	-2.0	-90.82	319.22	4.14	-86.68
CC(C)[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C(=O)[O-]	REAL250004703023	0	37	-2.0	-88.67	305.17	4.32	-84.35
CC(C)[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C(=O)[O-]	REAL250004703023	1	37	-2.0	-88.69	305.22	4.33	-84.36
CCC1(C(=O)[O-])CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004703169	0	37	-2.0	-90.21	292.28	4.58	-85.63
CCC1(C(=O)[O-])CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004703169	1	37	-2.0	-90.22	292.34	4.59	-85.63
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1CC1	REAL250004703173	0	35	-2.0	-89.22	299.52	4.67	-84.55
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1CC1	REAL250004703173	1	35	-2.0	-89.19	299.58	4.69	-84.50
CCC1(C(=O)[O-])CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004703174	0	37	-2.0	-90.21	292.28	4.58	-85.63
CCC1(C(=O)[O-])CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004703174	1	37	-2.0	-90.22	292.34	4.59	-85.63
O=C([O-])COCCOCCNC(=O)CCC1=N[N-]N=N1	REAL250004704112	0	35	-2.0	-97.96	316.80	0.59	-97.37
O=C([O-])COCCOCCNC(=O)CCC1=NN=N[N-]1	REAL250004704112	1	35	-2.0	-97.96	316.86	0.60	-97.36
COCCN(CC(=O)[O-])C(=O)CCC1=N[N-]N=N1	REAL250004704165	0	31	-2.0	-96.96	276.88	2.25	-94.71
COCCN(CC(=O)[O-])C(=O)CCC1=NN=N[N-]1	REAL250004704165	1	31	-2.0	-96.94	276.94	2.26	-94.68
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004704166	0	31	-2.0	-89.37	262.68	3.33	-86.04
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004704166	1	31	-2.0	-89.39	262.74	3.35	-86.04
O=C(CCC1=N[N-]N=N1)NC1(C(=O)[O-])CCCC1	REAL250004704167	0	31	-2.0	-102.07	262.31	2.86	-99.21
O=C(CCC1=NN=N[N-]1)NC1(C(=O)[O-])CCCC1	REAL250004704167	1	31	-2.0	-102.05	262.36	2.88	-99.17
O=C([O-])CC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004704168	0	31	-2.0	-87.96	282.42	3.91	-84.05
O=C([O-])CC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004704168	1	31	-2.0	-87.97	282.48	3.93	-84.04
O=C([O-])CC1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL250004704169	0	31	-2.0	-90.98	278.31	4.09	-86.89
O=C([O-])CC1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL250004704169	1	31	-2.0	-90.96	278.37	4.10	-86.86
O=C([O-])C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004704170	0	31	-2.0	-90.30	286.07	3.27	-87.03
O=C([O-])C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004704170	1	31	-2.0	-90.31	286.13	3.28	-87.03
CC(C)(CCC(=O)[O-])NC(=O)CCC1=N[N-]N=N1	REAL250004704171	0	33	-2.0	-86.25	274.86	2.18	-84.07
CC(C)(CCC(=O)[O-])NC(=O)CCC1=NN=N[N-]1	REAL250004704171	1	33	-2.0	-86.23	274.92	2.19	-84.04
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL250004704172	0	29	-2.0	-90.75	255.86	1.80	-88.95
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL250004704172	1	29	-2.0	-90.76	255.92	1.82	-88.94
CC(C)C[C@H](NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004704173	0	33	-2.0	-96.85	286.00	2.82	-94.03
CC(C)C[C@H](NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004704173	1	33	-2.0	-96.87	286.06	2.84	-94.03
CC(C)C[C@@H](NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004704174	0	33	-2.0	-96.67	285.76	2.89	-93.78
CC(C)C[C@@H](NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004704174	1	33	-2.0	-96.68	285.82	2.91	-93.77
O=C([O-])[C@@H](CC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL250004704175	0	34	-2.0	-97.20	305.73	4.55	-92.65
O=C([O-])[C@@H](CC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL250004704175	1	34	-2.0	-97.22	305.78	4.55	-92.67
O=C(CCC1=N[N-]N=N1)NC1CCC(C(=O)[O-])CC1	REAL250004704176	0	34	-2.0	-92.07	284.28	3.35	-88.72
O=C(CCC1=NN=N[N-]1)NC1CCC(C(=O)[O-])CC1	REAL250004704176	1	34	-2.0	-92.11	284.34	3.37	-88.74
CC[C@H](C)[C@H](NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004704177	0	33	-2.0	-97.69	278.54	2.49	-95.20
CC[C@H](C)[C@H](NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004704177	1	33	-2.0	-97.66	278.59	2.51	-95.15
O=C([O-])CCCCCNC(=O)CCC1=N[N-]N=N1	REAL250004704178	0	33	-2.0	-88.41	291.31	2.71	-85.70
O=C([O-])CCCCCNC(=O)CCC1=NN=N[N-]1	REAL250004704178	1	33	-2.0	-88.43	291.37	2.73	-85.70
O=C([O-])C1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1	REAL250004704179	0	31	-2.0	-94.00	286.08	3.26	-90.74
O=C([O-])C1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1	REAL250004704179	1	31	-2.0	-93.97	286.13	3.27	-90.70
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL250004704180	0	28	-2.0	-91.95	260.06	3.11	-88.84
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL250004704180	1	28	-2.0	-91.95	260.12	3.13	-88.82
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL250004704181	0	31	-2.0	-90.54	276.06	3.68	-86.86
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL250004704181	1	31	-2.0	-90.52	276.12	3.69	-86.83
CCCCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004704182	0	33	-2.0	-96.16	290.29	3.09	-93.07
CCCCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004704182	1	33	-2.0	-96.19	290.35	3.10	-93.09
O=C([O-])C1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004704183	0	31	-2.0	-107.49	258.45	4.46	-103.03
O=C([O-])C1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004704183	1	31	-2.0	-107.46	258.51	4.47	-102.99
O=C([O-])C1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004704184	0	31	-2.0	-107.49	258.45	4.46	-103.03
O=C([O-])C1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004704184	1	31	-2.0	-107.46	258.51	4.47	-102.99
CC(=O)NCCN(C(=O)CCC1=N[N-]N=N1)C(C)C(=O)[O-]	REAL250004704185	0	37	-2.0	-94.47	316.29	1.43	-93.04
CC(=O)NCCN(C(=O)CCC1=NN=N[N-]1)C(C)C(=O)[O-]	REAL250004704185	1	37	-2.0	-94.44	316.35	1.45	-92.99
O=C([O-])CCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004704186	0	34	-2.0	-87.34	303.82	4.72	-82.62
O=C([O-])CCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004704186	1	34	-2.0	-87.35	303.87	4.73	-82.62
O=C([O-])C1COCCN1C(=O)CCC1=N[N-]N=N1	REAL250004704187	0	29	-2.0	-102.72	249.56	2.06	-100.66
O=C([O-])C1COCCN1C(=O)CCC1=NN=N[N-]1	REAL250004704187	1	29	-2.0	-102.73	249.62	2.08	-100.65
O=C([O-])CCC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004704188	0	37	-2.0	-91.39	303.88	4.78	-86.61
O=C([O-])CCC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004704188	1	37	-2.0	-91.40	303.94	4.79	-86.61
O=C([O-])CCC1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004704189	0	37	-2.0	-101.89	297.46	4.78	-97.11
O=C([O-])CCC1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004704189	1	37	-2.0	-101.87	297.51	4.80	-97.07
CC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004704190	0	31	-2.0	-87.81	269.27	3.10	-84.71
CC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004704190	1	31	-2.0	-87.82	269.33	3.12	-84.70
O=C([O-])CN(C(=O)CCC1=N[N-]N=N1)C1CCOCC1	REAL250004704191	0	35	-2.0	-96.98	288.23	2.77	-94.21
O=C([O-])CN(C(=O)CCC1=NN=N[N-]1)C1CCOCC1	REAL250004704191	1	35	-2.0	-97.02	288.29	2.78	-94.24
O=C([O-])CCN(C(=O)CCC1=N[N-]N=N1)C1CCOCC1	REAL250004704192	0	38	-2.0	-94.58	311.55	3.42	-91.16
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CC(C)(C)CCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004704193	0	39	-2.0	-96.61	324.03	3.99	-92.62
CC(C)(C)CCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004704193	1	39	-2.0	-96.63	324.09	4.01	-92.62
CC(C(=O)[O-])N(C(=O)CCC1=N[N-]N=N1)C1CC1	REAL250004704194	0	31	-2.0	-90.40	264.27	3.65	-86.75
CC(C(=O)[O-])N(C(=O)CCC1=NN=N[N-]1)C1CC1	REAL250004704194	1	31	-2.0	-90.41	264.33	3.66	-86.75
O=C([O-])C1CC2CCC1N2C(=O)CCC1=N[N-]N=N1	REAL250004704195	0	32	-2.0	-104.69	272.80	3.98	-100.71
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CC1CCC(C(=O)[O-])CN1C(=O)CCC1=N[N-]N=N1	REAL250004704196	0	34	-2.0	-92.64	280.13	3.96	-88.68
CC1CCC(C(=O)[O-])CN1C(=O)CCC1=NN=N[N-]1	REAL250004704196	1	34	-2.0	-92.59	280.19	3.97	-88.62
CC1CC(C(=O)[O-])CN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004704197	0	34	-2.0	-91.98	279.65	4.16	-87.82
CC1CC(C(=O)[O-])CN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004704197	1	34	-2.0	-92.02	279.71	4.18	-87.84
CC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004704198	0	34	-2.0	-90.86	276.93	3.65	-87.21
CC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004704198	1	34	-2.0	-90.85	276.99	3.66	-87.19
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCOCC1	REAL250004704199	0	35	-2.0	-88.89	289.39	1.13	-87.76
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCOCC1	REAL250004704199	1	35	-2.0	-88.90	289.45	1.14	-87.76
O=C([O-])CN1C=C(NC(=O)CCC2=N[N-]N=N2)C=N1	REAL250004704200	0	28	-2.0	-94.06	262.20	1.29	-92.77
O=C([O-])CN1C=C(NC(=O)CCC2=NN=N[N-]2)C=N1	REAL250004704200	1	28	-2.0	-94.05	262.26	1.31	-92.74
CC1CCN(C(=O)CCC2=N[N-]N=N2)CC1C(=O)[O-]	REAL250004704201	0	34	-2.0	-90.68	278.89	3.77	-86.91
CC1CCN(C(=O)CCC2=NN=N[N-]2)CC1C(=O)[O-]	REAL250004704201	1	34	-2.0	-90.69	278.95	3.78	-86.91
CC1CCCN(C(=O)CCC2=N[N-]N=N2)C1C(=O)[O-]	REAL250004704202	0	34	-2.0	-106.05	268.89	5.04	-101.01
CC1CCCN(C(=O)CCC2=NN=N[N-]2)C1C(=O)[O-]	REAL250004704202	1	34	-2.0	-106.06	268.95	5.06	-101.00
CC(C)(CCNC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004704203	0	33	-2.0	-87.44	281.01	2.03	-85.41
CC(C)(CCNC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004704203	1	33	-2.0	-87.45	281.07	2.04	-85.41
CCC(CC)(CNC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004704204	0	36	-2.0	-90.20	289.20	2.98	-87.22
CCC(CC)(CNC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004704204	1	36	-2.0	-90.16	289.25	3.00	-87.16
O=C([O-])C(CC1=CC=NC=C1)NC(=O)CCC1=N[N-]N=N1	REAL250004704205	0	33	-2.0	-95.80	300.60	2.84	-92.96
O=C([O-])C(CC1=CC=NC=C1)NC(=O)CCC1=NN=N[N-]1	REAL250004704205	1	33	-2.0	-95.77	300.66	2.86	-92.91
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCC1=N[N-]N=N1	REAL250004704206	0	31	-2.0	-105.89	260.81	4.10	-101.79
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCC1=NN=N[N-]1	REAL250004704206	1	31	-2.0	-105.89	260.87	4.11	-101.78
CN1N=CC=C1C(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004704207	0	31	-2.0	-95.47	285.27	1.21	-94.26
CN1N=CC=C1C(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004704207	1	31	-2.0	-95.45	285.33	1.21	-94.24
CC(C)C(CNC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004704208	0	33	-2.0	-91.91	284.10	2.29	-89.62
CC(C)C(CNC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004704208	1	33	-2.0	-91.92	284.16	2.30	-89.62
CC(NC(=O)CCC1=N[N-]N=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL250004704209	0	40	-2.0	-94.62	320.99	3.69	-90.93
CC(NC(=O)CCC1=NN=N[N-]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL250004704209	1	40	-2.0	-94.59	321.05	3.71	-90.88
O=C([O-])CC1(NC(=O)CCC2=N[N-]N=N2)CCCCC1	REAL250004704210	0	37	-2.0	-96.78	292.48	4.41	-92.37
O=C([O-])CC1(NC(=O)CCC2=NN=N[N-]2)CCCCC1	REAL250004704210	1	37	-2.0	-96.76	292.54	4.42	-92.34
O=C([O-])CC1(NC(=O)CCC2=N[N-]N=N2)CCOCC1	REAL250004704211	0	35	-2.0	-94.13	284.15	1.92	-92.21
O=C([O-])CC1(NC(=O)CCC2=NN=N[N-]2)CCOCC1	REAL250004704211	1	35	-2.0	-94.17	284.21	1.94	-92.23
O=C([O-])CN(C(=O)CCC1=N[N-]N=N1)C1CCC1	REAL250004704212	0	31	-2.0	-97.12	263.60	3.91	-93.21
O=C([O-])CN(C(=O)CCC1=NN=N[N-]1)C1CCC1	REAL250004704212	1	31	-2.0	-97.10	263.66	3.93	-93.17
CN1N=CC=C1C(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004704213	0	31	-2.0	-95.47	285.27	1.21	-94.26
CN1N=CC=C1C(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004704213	1	31	-2.0	-95.45	285.33	1.21	-94.24
O=C([O-])CC1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004704214	0	34	-2.0	-107.57	273.97	4.95	-102.62
O=C([O-])CC1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004704214	1	34	-2.0	-107.57	274.03	4.96	-102.61
O=C(CCC1=N[N-]N=N1)NC1(C(=O)[O-])CCCCCC1	REAL250004704215	0	37	-2.0	-102.52	282.46	4.87	-97.65
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O=C([O-])CC1(NC(=O)CCC2=N[N-]N=N2)CCC1	REAL250004704216	0	31	-2.0	-95.08	268.54	2.51	-92.57
O=C([O-])CC1(NC(=O)CCC2=NN=N[N-]2)CCC1	REAL250004704216	1	31	-2.0	-95.09	268.60	2.52	-92.57
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C(F)F	REAL250004704217	0	31	-2.0	-91.50	276.85	3.27	-88.23
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C(F)F	REAL250004704217	1	31	-2.0	-91.52	276.90	3.29	-88.23
O=C([O-])CN(CC1CC1)C(=O)CCC1=N[N-]N=N1	REAL250004704218	0	31	-2.0	-96.10	277.16	4.63	-91.47
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O=C(CCC1=N[N-]N=N1)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL250004704220	0	31	-2.0	-87.11	269.71	2.42	-84.69
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CC1CN(C(=O)CCC2=N[N-]N=N2)CCC1C(=O)[O-]	REAL250004704226	0	34	-2.0	-88.70	276.12	4.06	-84.64
CC1CN(C(=O)CCC2=NN=N[N-]2)CCC1C(=O)[O-]	REAL250004704226	1	34	-2.0	-88.68	276.18	4.07	-84.61
CC1(C(=O)[O-])CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004704227	0	31	-2.0	-103.11	263.80	3.98	-99.13
CC1(C(=O)[O-])CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004704227	1	31	-2.0	-103.12	263.86	3.99	-99.13
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CC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL250004704230	0	34	-2.0	-102.44	291.28	4.59	-97.85
CC(NC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL250004704230	1	34	-2.0	-102.43	291.33	4.61	-97.82
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CC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004704232	0	34	-2.0	-90.86	276.93	3.65	-87.21
CC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004704232	1	34	-2.0	-90.85	276.99	3.66	-87.19
CC(C)(C)CN(CC(=O)[O-])C(=O)CCC1=N[N-]N=N1	REAL250004704233	0	36	-2.0	-96.53	294.63	4.89	-91.64
CC(C)(C)CN(CC(=O)[O-])C(=O)CCC1=NN=N[N-]1	REAL250004704233	1	36	-2.0	-96.55	294.69	4.91	-91.64
CC(C)C[C@H](CNC(=O)CCC1=N[N-]N=N1)CC(=O)[O-]	REAL250004704234	0	39	-2.0	-94.65	314.82	3.52	-91.13
CC(C)C[C@H](CNC(=O)CCC1=NN=N[N-]1)CC(=O)[O-]	REAL250004704234	1	39	-2.0	-94.67	314.88	3.54	-91.13
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL250004704235	0	34	-2.0	-85.61	299.62	3.17	-82.44
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL250004704235	1	34	-2.0	-85.62	299.67	3.18	-82.44
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COCC1(C(=O)[O-])CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL250004704237	0	36	-2.0	-94.08	304.42	2.02	-92.06
COCC1(C(=O)[O-])CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL250004704237	1	36	-2.0	-94.03	304.48	2.03	-92.00
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)CCC1=N[N-]N=N1	REAL250004704238	0	29	-2.0	-102.84	258.92	-0.36	-103.20
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)CCC1=NN=N[N-]1	REAL250004704238	1	29	-2.0	-102.82	258.98	-0.35	-103.17
O=C([O-])C1=NNC=C1NC(=O)CCC1=N[N-]N=N1	REAL250004704239	0	25	-2.0	-90.93	237.74	-0.26	-91.19
O=C([O-])C1=NNC=C1NC(=O)CCC1=NN=N[N-]1	REAL250004704239	1	25	-2.0	-90.93	237.80	-0.24	-91.17
O=C([O-])C1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL250004704240	0	31	-2.0	-99.76	279.70	3.35	-96.41
O=C([O-])C1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL250004704240	1	31	-2.0	-99.76	279.75	3.36	-96.40
COCC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004704241	0	35	-2.0	-94.42	299.87	2.17	-92.25
COCC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004704241	1	35	-2.0	-94.42	299.93	2.18	-92.24
O=C([O-])CN1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL250004704242	0	36	-2.0	-90.55	301.36	0.72	-89.83
O=C([O-])CN1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL250004704242	1	36	-2.0	-90.54	301.42	0.74	-89.80
O=C([O-])[C@@H]1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004704243	0	31	-2.0	-91.04	263.66	3.34	-87.70
O=C([O-])[C@@H]1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004704243	1	31	-2.0	-91.04	263.72	3.36	-87.68
O=C([O-])[C@H]1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004704244	0	31	-2.0	-107.61	258.33	4.52	-103.09
O=C([O-])[C@H]1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004704244	1	31	-2.0	-107.63	258.39	4.54	-103.09
O=C([O-])[C@@H]1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL250004704245	0	31	-2.0	-107.45	258.49	4.46	-102.99
O=C([O-])[C@@H]1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL250004704245	1	31	-2.0	-107.47	258.55	4.48	-102.99
O=C([O-])[C@H]1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004704246	0	31	-2.0	-91.34	264.20	3.38	-87.96
O=C([O-])[C@H]1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004704246	1	31	-2.0	-91.34	264.26	3.39	-87.95
COC(=O)CCN(CC(=O)[O-])C(=O)CCC1=N[N-]N=N1	REAL250004704247	0	33	-2.0	-98.76	300.97	3.84	-94.92
COC(=O)CCN(CC(=O)[O-])C(=O)CCC1=NN=N[N-]1	REAL250004704247	1	33	-2.0	-98.77	301.02	3.85	-94.92
O=C([O-])C1=NNC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004704248	0	25	-2.0	-98.47	240.65	0.62	-97.85
O=C([O-])C1=NNC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004704248	1	25	-2.0	-98.50	240.71	0.64	-97.86
O=C([O-])C1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1	REAL250004704249	0	31	-2.0	-94.00	286.08	3.26	-90.74
O=C([O-])C1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1	REAL250004704249	1	31	-2.0	-93.97	286.13	3.27	-90.70
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL250004704250	0	31	-2.0	-95.11	289.23	3.74	-91.37
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL250004704250	1	31	-2.0	-95.09	289.29	3.75	-91.34
O=C([O-])C(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004704251	0	32	-2.0	-84.53	276.01	2.11	-82.42
O=C([O-])C(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004704251	1	32	-2.0	-84.54	276.07	2.13	-82.41
O=C([O-])[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004704252	0	31	-2.0	-100.34	282.82	3.66	-96.68
O=C([O-])[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004704252	1	31	-2.0	-100.35	282.88	3.68	-96.67
O=C([O-])[C@H](CC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL250004704253	0	34	-2.0	-97.20	305.67	4.54	-92.66
O=C([O-])[C@H](CC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL250004704253	1	34	-2.0	-97.21	305.73	4.56	-92.65
CC1=CC=CC(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL250004704254	0	34	-2.0	-101.30	304.86	4.27	-97.03
CC1=CC=CC(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL250004704254	1	34	-2.0	-101.31	304.92	4.29	-97.02
O=C([O-])CCCCCCCNC(=O)CCC1=N[N-]N=N1	REAL250004704255	0	39	-2.0	-88.46	334.31	4.28	-84.18
O=C([O-])CCCCCCCNC(=O)CCC1=NN=N[N-]1	REAL250004704255	1	39	-2.0	-88.47	334.36	4.29	-84.18
O=C([O-])CCCCCCNC(=O)CCC1=N[N-]N=N1	REAL250004704256	0	36	-2.0	-89.23	312.81	3.49	-85.74
O=C([O-])CCCCCCNC(=O)CCC1=NN=N[N-]1	REAL250004704256	1	36	-2.0	-89.21	312.86	3.51	-85.70
O=C(CCC1=N[N-]N=N1)NC1CCCC1C(=O)[O-]	REAL250004704257	0	31	-2.0	-95.47	269.39	2.35	-93.12
O=C(CCC1=NN=N[N-]1)NC1CCCC1C(=O)[O-]	REAL250004704257	1	31	-2.0	-95.49	269.44	2.37	-93.12
CC1(C(=O)[O-])CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004704258	0	34	-2.0	-90.90	278.37	4.10	-86.80
CC1(C(=O)[O-])CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004704258	1	34	-2.0	-90.87	278.43	4.12	-86.75
COCC1(C(=O)[O-])CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004704259	0	38	-2.0	-93.69	308.99	3.98	-89.71
COCC1(C(=O)[O-])CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004704259	1	38	-2.0	-93.67	309.05	3.99	-89.68
O=C(CCC1=N[N-]N=N1)NC1(C(=O)[O-])CCCCC1	REAL250004704260	0	34	-2.0	-102.03	276.83	3.94	-98.09
O=C(CCC1=NN=N[N-]1)NC1(C(=O)[O-])CCCCC1	REAL250004704260	1	34	-2.0	-101.98	276.89	3.95	-98.03
O=C(CCC1=N[N-]N=N1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004704261	0	31	-2.0	-102.47	266.36	2.82	-99.65
O=C(CCC1=NN=N[N-]1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004704261	1	31	-2.0	-102.47	266.42	2.83	-99.64
COCCN(CCC(=O)[O-])C(=O)CCC1=N[N-]N=N1	REAL250004704262	0	34	-2.0	-95.53	296.25	2.55	-92.98
COCCN(CCC(=O)[O-])C(=O)CCC1=NN=N[N-]1	REAL250004704262	1	34	-2.0	-95.55	296.31	2.56	-92.99
O=C([O-])C1=CNN=C1NC(=O)CCC1=N[N-]N=N1	REAL250004704263	0	25	-2.0	-92.61	240.37	0.94	-91.67
O=C([O-])C1=CNN=C1NC(=O)CCC1=NN=N[N-]1	REAL250004704263	1	25	-2.0	-92.64	240.43	0.96	-91.68
CC(C(=O)[O-])C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL250004704264	0	28	-2.0	-98.93	250.85	4.60	-94.33
CC(C(=O)[O-])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL250004704264	1	28	-2.0	-98.87	250.89	4.60	-94.27
O=C([O-])CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL250004704265	0	31	-2.0	-94.36	276.77	4.66	-89.70
O=C([O-])CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL250004704265	1	31	-2.0	-94.31	276.82	4.66	-89.65
O=C([O-])COCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL250004704266	0	29	-2.0	-96.78	268.90	3.81	-92.97
O=C([O-])COCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL250004704266	1	29	-2.0	-96.70	268.95	3.82	-92.88
O=C([O-])CCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL250004704267	0	34	-2.0	-91.81	298.27	5.44	-86.37
O=C([O-])CCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL250004704267	1	34	-2.0	-91.82	298.32	5.44	-86.38
O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL250004704268	0	32	-2.0	-96.22	281.76	5.03	-91.19
O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL250004704268	1	32	-2.0	-96.17	281.81	5.03	-91.14
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL250004704269	0	32	-2.0	-118.18	276.71	4.85	-113.33
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL250004704269	1	32	-2.0	-118.30	276.84	4.86	-113.44
O=C([O-])C12CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)(C1)C2	REAL250004704270	0	33	-2.0	-93.47	292.36	5.59	-87.88
O=C([O-])C12CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)(C1)C2	REAL250004704270	1	33	-2.0	-93.51	292.41	5.60	-87.91
O=C([O-])C1=NNC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL250004704271	0	29	-2.0	-92.50	273.80	2.47	-90.03
O=C([O-])C1=NNC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL250004704271	1	29	-2.0	-92.47	273.85	2.47	-90.00
O=C([O-])C1=CC=NC(NNC(=O)CCC2=N[N-]N=N2)=C1	REAL250004704272	0	29	-2.0	-87.37	274.54	2.06	-85.31
O=C([O-])C1=CC=NC(NNC(=O)CCC2=NN=N[N-]2)=C1	REAL250004704272	1	29	-2.0	-87.36	274.60	2.07	-85.29
O=C([O-])C1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004704274	0	32	-2.0	-104.41	272.56	3.59	-100.82
O=C([O-])C1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004704274	1	32	-2.0	-104.43	272.63	3.59	-100.84
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL250004704275	0	32	-2.0	-98.78	279.74	4.15	-94.63
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL250004704275	1	32	-2.0	-98.82	279.80	4.17	-94.65
O=C([O-])CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004704276	0	31	-2.0	-112.68	269.95	3.15	-109.53
O=C([O-])CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004704276	1	31	-2.0	-112.72	270.01	3.18	-109.54
O=C([O-])COCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004704277	0	29	-2.0	-116.70	262.02	2.44	-114.26
O=C([O-])COCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004704277	1	29	-2.0	-116.66	262.08	2.47	-114.19
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL250004704278	0	31	-2.0	-94.31	277.17	3.31	-91.00
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL250004704278	1	31	-2.0	-94.30	277.11	3.28	-91.02
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004704279	0	35	-2.0	-113.74	286.14	3.96	-109.78
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004704279	1	35	-2.0	-113.67	286.19	3.98	-109.69
O=C([O-])CCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004704280	0	34	-2.0	-102.83	291.45	3.93	-98.90
O=C([O-])CCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004704280	1	34	-2.0	-102.85	291.51	3.96	-98.89
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL250004704281	0	31	-2.0	-101.05	274.83	2.33	-98.72
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL250004704281	1	31	-2.0	-101.05	274.89	2.35	-98.70
O=C([O-])C1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004704282	0	38	-2.0	-119.27	297.57	4.37	-114.90
O=C([O-])C1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004704282	1	38	-2.0	-119.26	297.63	4.38	-114.88
O=C([O-])CN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL250004704283	0	31	-2.0	-97.48	281.13	1.42	-96.06
O=C([O-])CN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL250004704283	1	31	-2.0	-97.45	281.19	1.45	-96.00
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004704284	0	32	-2.0	-100.33	280.68	1.94	-98.39
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004704284	1	32	-2.0	-100.36	280.62	1.92	-98.44
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004704285	0	32	-2.0	-124.01	274.31	3.49	-120.52
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004704285	1	32	-2.0	-124.02	274.37	3.51	-120.51
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004704286	0	32	-2.0	-109.73	270.10	3.30	-106.43
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004704286	1	32	-2.0	-109.74	270.16	3.32	-106.42
O=C([O-])C12CC(C(=O)N3CCCC3C3=N[N-]N=N3)(C1)C2	REAL250004704287	0	33	-2.0	-101.04	282.98	3.97	-97.07
O=C([O-])C12CC(C(=O)N3CCCC3C3=NN=N[N-]3)(C1)C2	REAL250004704287	1	33	-2.0	-101.01	283.04	4.00	-97.01
O=C([O-])C1=NNC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004704288	0	29	-2.0	-104.08	262.09	0.98	-103.10
O=C([O-])C1=NNC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004704288	1	29	-2.0	-104.10	262.15	1.00	-103.10
O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004704289	0	38	-2.0	-118.82	308.86	4.62	-114.20
O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004704289	1	38	-2.0	-118.81	308.92	4.64	-114.17
CSCC[C@H](NC(=O)C(C)C(=O)[O-])C1=N[N-]N=N1	REAL250004704290	0	31	-2.0	-108.11	287.07	3.32	-104.79
CSCC[C@H](NC(=O)C(C)C(=O)[O-])C1=NN=N[N-]1	REAL250004704290	1	31	-2.0	-108.11	287.13	3.34	-104.77
CSCC[C@H](NC(=O)CCCC(=O)[O-])C1=N[N-]N=N1	REAL250004704291	0	34	-2.0	-103.57	312.78	3.25	-100.32
CSCC[C@H](NC(=O)CCCC(=O)[O-])C1=NN=N[N-]1	REAL250004704291	1	34	-2.0	-103.57	312.84	3.27	-100.30
CSCC[C@H](NC(=O)COCC(=O)[O-])C1=N[N-]N=N1	REAL250004704292	0	32	-2.0	-106.66	304.91	2.51	-104.15
CSCC[C@H](NC(=O)COCC(=O)[O-])C1=NN=N[N-]1	REAL250004704292	1	32	-2.0	-106.66	304.97	2.52	-104.14
CSCC[C@H](NC(=O)C(C)(C)C(=O)[O-])C1=N[N-]N=N1	REAL250004704293	0	34	-2.0	-109.48	305.86	3.85	-105.63
CSCC[C@H](NC(=O)C(C)(C)C(=O)[O-])C1=NN=N[N-]1	REAL250004704293	1	34	-2.0	-109.44	305.92	3.86	-105.58
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCC1)C1=N[N-]N=N1	REAL250004704294	0	35	-2.0	-106.01	311.25	3.69	-102.32
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCC1)C1=NN=N[N-]1	REAL250004704294	1	35	-2.0	-106.01	311.31	3.70	-102.31
CSCC[C@H](NC(=O)C(C(=O)[O-])C1CC1)C1=N[N-]N=N1	REAL250004704295	0	35	-2.0	-109.75	321.82	3.88	-105.87
CSCC[C@H](NC(=O)C(C(=O)[O-])C1CC1)C1=NN=N[N-]1	REAL250004704295	1	35	-2.0	-109.79	321.88	3.89	-105.90
CSCC[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)C1=N[N-]N=N1	REAL250004704296	0	35	-2.0	-93.97	315.11	3.74	-90.23
CSCC[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)C1=NN=N[N-]1	REAL250004704296	1	35	-2.0	-93.93	315.17	3.75	-90.18
CSCC[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004704297	0	35	-2.0	-101.07	317.76	3.63	-97.44
CSCC[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004704297	1	35	-2.0	-101.06	317.81	3.65	-97.41
CSCC[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004704298	0	35	-2.0	-125.91	312.71	4.72	-121.19
CSCC[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004704298	1	35	-2.0	-125.91	312.76	4.73	-121.18
O=C([O-])CN1C=NC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL250004704299	0	28	-2.0	-90.58	262.78	3.86	-86.72
O=C([O-])CN1C=NC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL250004704299	1	28	-2.0	-90.54	262.84	3.88	-86.66
COCC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004704300	0	38	-2.0	-93.03	307.59	3.39	-89.64
COCC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004704300	1	38	-2.0	-93.00	307.65	3.41	-89.59
O=C(CCC1=N[N-]N=N1)NC12CC(C(=O)[O-])(C1)C2	REAL250004704301	0	29	-2.0	-90.61	263.52	1.94	-88.67
O=C(CCC1=NN=N[N-]1)NC12CC(C(=O)[O-])(C1)C2	REAL250004704301	1	29	-2.0	-90.60	263.58	1.95	-88.65
O=C([O-])CC1(CNC(=O)CCC2=N[N-]N=N2)CCCCC1	REAL250004704302	0	40	-2.0	-95.84	309.72	3.90	-91.94
O=C([O-])CC1(CNC(=O)CCC2=NN=N[N-]2)CCCCC1	REAL250004704302	1	40	-2.0	-95.80	309.77	3.92	-91.88
O=C([O-])[C@H]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)CC1	REAL250004704303	0	34	-2.0	-92.04	284.28	3.35	-88.69
O=C([O-])[C@H]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)CC1	REAL250004704303	1	34	-2.0	-92.09	284.34	3.37	-88.72
O=C([O-])[C@H]1CC[C@H](CNC(=O)CCC2=N[N-]N=N2)CC1	REAL250004704304	0	37	-2.0	-89.39	307.13	3.63	-85.76
O=C([O-])[C@H]1CC[C@H](CNC(=O)CCC2=NN=N[N-]2)CC1	REAL250004704304	1	37	-2.0	-89.40	307.19	3.64	-85.76
O=C([O-])CC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004704305	0	34	-2.0	-87.97	281.22	4.01	-83.96
O=C([O-])CC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004704305	1	34	-2.0	-87.94	281.28	4.03	-83.91
O=C([O-])CN(CCC(F)(F)F)C(=O)CCC1=N[N-]N=N1	REAL250004704306	0	30	-2.0	-93.58	285.13	4.21	-89.37
O=C([O-])CN(CCC(F)(F)F)C(=O)CCC1=NN=N[N-]1	REAL250004704306	1	30	-2.0	-93.56	285.19	4.22	-89.34
O=C([O-])COC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL250004704307	0	35	-2.0	-91.22	297.75	3.42	-87.80
O=C([O-])COC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL250004704307	1	35	-2.0	-91.20	297.81	3.43	-87.77
O=C(CCC1=N[N-]N=N1)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL250004704308	0	34	-2.0	-88.17	288.18	2.91	-85.26
O=C(CCC1=NN=N[N-]1)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL250004704308	1	34	-2.0	-88.19	288.23	2.93	-85.26
O=C(CCC1=N[N-]N=N1)NC1CCCC(C(=O)[O-])C1	REAL250004704309	0	34	-2.0	-88.20	288.19	2.91	-85.29
O=C(CCC1=NN=N[N-]1)NC1CCCC(C(=O)[O-])C1	REAL250004704309	1	34	-2.0	-88.19	288.24	2.93	-85.26
C[C@@]1(C(=O)[O-])CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004704310	0	31	-2.0	-103.04	263.95	3.98	-99.06
C[C@@]1(C(=O)[O-])CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004704310	1	31	-2.0	-103.02	264.01	3.99	-99.03
C[C@]1(C(=O)[O-])CCCN1C(=O)CCC1=N[N-]N=N1	REAL250004704311	0	31	-2.0	-103.06	263.83	3.98	-99.08
C[C@]1(C(=O)[O-])CCCN1C(=O)CCC1=NN=N[N-]1	REAL250004704311	1	31	-2.0	-103.09	263.89	3.99	-99.10
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCCOC1	REAL250004704312	0	35	-2.0	-94.87	293.54	1.77	-93.10
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCCOC1	REAL250004704312	1	35	-2.0	-94.87	293.60	1.79	-93.08
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCOC1	REAL250004704313	0	32	-2.0	-90.20	275.45	0.48	-89.72
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCOC1	REAL250004704313	1	32	-2.0	-90.16	275.51	0.49	-89.67
O=C(CCC1=N[N-]N=N1)NC(CC1CCCCC1)C(=O)[O-]	REAL250004704314	0	40	-2.0	-97.41	327.43	4.80	-92.61
O=C(CCC1=NN=N[N-]1)NC(CC1CCCCC1)C(=O)[O-]	REAL250004704314	1	40	-2.0	-97.37	327.49	4.82	-92.55
O=C(CCC1=N[N-]N=N1)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL250004704315	0	40	-2.0	-97.60	327.62	4.72	-92.88
O=C(CCC1=NN=N[N-]1)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL250004704315	1	40	-2.0	-97.54	327.68	4.74	-92.80
O=C(CCC1=N[N-]N=N1)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL250004704316	0	40	-2.0	-97.41	327.40	4.81	-92.60
O=C(CCC1=NN=N[N-]1)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL250004704316	1	40	-2.0	-97.35	327.46	4.82	-92.53
CC(C(=O)[O-])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004704317	0	34	-2.0	-125.96	266.79	3.95	-122.01
CC(C(=O)[O-])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004704317	1	34	-2.0	-125.85	266.85	3.95	-121.90
O=C([O-])CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004704318	0	37	-2.0	-113.71	293.72	4.94	-108.77
O=C([O-])CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004704318	1	37	-2.0	-113.72	293.77	4.94	-108.78
O=C([O-])COCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004704319	0	35	-2.0	-117.94	285.85	3.91	-114.03
O=C([O-])COCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004704319	1	35	-2.0	-117.95	285.90	3.92	-114.03
O=C([O-])CCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004704320	0	40	-2.0	-102.26	315.22	5.72	-96.54
O=C([O-])CCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004704320	1	40	-2.0	-102.30	315.27	5.72	-96.58
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004704321	0	38	-2.0	-110.80	298.25	5.27	-105.53
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004704321	1	38	-2.0	-110.78	298.30	5.28	-105.50
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL250004704322	0	38	-2.0	-126.45	288.31	5.28	-121.17
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL250004704322	1	38	-2.0	-126.38	288.39	5.31	-121.07
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL250004704323	0	29	-2.0	-91.00	265.24	2.42	-88.58
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL250004704323	1	29	-2.0	-91.00	265.29	2.43	-88.57
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)CC12CCC2	REAL250004704324	0	35	-2.0	-87.90	291.54	4.24	-83.66
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)CC12CCC2	REAL250004704324	1	35	-2.0	-87.89	291.60	4.25	-83.64
CC1(C(=O)[O-])CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL250004704325	0	32	-2.0	-90.76	271.36	2.58	-88.18
CC1(C(=O)[O-])CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL250004704325	1	32	-2.0	-90.79	271.42	2.60	-88.19
COC1CC(C(=O)[O-])CN(C(=O)CCC2=N[N-]N=N2)C1	REAL250004704334	0	35	-2.0	-93.39	294.54	2.44	-90.95
COC1CC(C(=O)[O-])CN(C(=O)CCC2=NN=N[N-]2)C1	REAL250004704334	1	35	-2.0	-93.40	294.60	2.45	-90.95
N#CCCC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004704335	0	28	-2.0	-95.23	268.15	2.04	-93.19
N#CCCC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004704335	1	28	-2.0	-95.24	268.21	2.06	-93.18
CCCC[C@@H](NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004704336	0	33	-2.0	-96.18	290.29	3.09	-93.09
CCCC[C@@H](NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004704336	1	33	-2.0	-96.16	290.35	3.09	-93.07
CCCC[C@H](NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL250004704337	0	33	-2.0	-96.02	290.05	3.14	-92.88
CCCC[C@H](NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL250004704337	1	33	-2.0	-95.96	290.11	3.16	-92.80
O=C(CCC1=N[N-]N=N1)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL250004704338	0	29	-2.0	-90.49	264.21	2.45	-88.04
O=C(CCC1=NN=N[N-]1)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL250004704338	1	29	-2.0	-90.51	264.26	2.47	-88.04
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL250004704339	0	28	-2.0	-90.96	272.64	3.53	-87.43
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL250004704339	1	28	-2.0	-90.93	272.70	3.55	-87.38
O=C([O-])C1=C(NC(=O)CCC2=N[N-]N=N2)N=C2CCCN21	REAL250004704340	0	32	-2.0	-101.82	285.83	4.12	-97.70
O=C([O-])C1=C(NC(=O)CCC2=NN=N[N-]2)N=C2CCCN21	REAL250004704340	1	32	-2.0	-101.79	285.88	4.14	-97.65
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004704755	0	32	-2.0	-95.39	286.65	5.73	-89.66
O=C([O-])C1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL250004704770	0	29	-2.0	-97.62	263.48	5.02	-92.60
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004704771	0	32	-2.0	-95.39	286.65	5.73	-89.66