CC[NH+]1CCC(NC(=O)CSC2=N[N-]N=N2)CC1	REAL250004571454	0	36	0.0	-63.32	297.18	2.70	-60.62
CC[NH+]1CCC(NC(=O)CSC2=NN=N[N-]2)CC1	REAL250004571454	1	36	0.0	-62.69	296.77	2.71	-59.98
CC(C)[NH+]1CCC(NC(=O)CSC2=N[N-]N=N2)CC1	REAL250004571860	0	39	0.0	-62.20	310.20	2.99	-59.21
CC(C)[NH+]1CCC(NC(=O)CSC2=NN=N[N-]2)CC1	REAL250004571860	1	39	0.0	-61.61	309.79	3.00	-58.61
CC(C)[NH+]1CCN(CCCSC2=N[N-]N=N2)CC1	REAL250004572116	0	40	0.0	-56.58	306.35	3.46	-53.12
CC(C)[NH+]1CCN(CCCSC2=NN=N[N-]2)CC1	REAL250004572116	1	40	0.0	-56.18	305.94	3.47	-52.71
C1=CC=C(C[N@@H+]2CCC(SC3=NN=N[N-]3)C2)C=C1	REAL250004572144	0	33	0.0	-53.95	277.58	6.39	-47.56
C1=CC=C(C[N@H+]2CCC(SC3=NN=N[N-]3)C2)C=C1	REAL250004572144	1	33	0.0	-53.93	278.48	6.42	-47.51
C1=CC(CSC2=NN=N[N-]2)=CC(C[NH+]2CCCCC2)=C1	REAL250004572282	0	39	0.0	-59.23	318.45	7.90	-51.33
C1=CC(CSC2=N[N-]N=N2)=CC(C[NH+]2CCCCC2)=C1	REAL250004572282	1	39	0.0	-59.66	318.87	7.90	-51.76
C1=CC(C[NH+]2CCCCC2)=CC=C1CSC1=N[N-]N=N1	REAL250004572283	0	39	0.0	-63.30	318.56	7.86	-55.44
C1=CC(C[NH+]2CCCCC2)=CC=C1CSC1=NN=N[N-]1	REAL250004572283	1	39	0.0	-63.01	318.15	7.86	-55.15
C1=CC(C[NH+]2CCOCC2)=CC=C1CSC1=NN=N[N-]1	REAL250004572294	1	37	0.0	-65.40	309.85	5.50	-59.90
C[N@H+](CCSC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL250004572387	0	32	0.0	-57.68	279.64	6.09	-51.59
C[N@@H+](CCSC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL250004572387	1	32	0.0	-57.71	279.64	6.09	-51.62
C[NH+]1CCC(NC(=O)CSC2=N[N-]N=N2)CC1	REAL250004572407	0	33	0.0	-64.57	279.54	2.04	-62.53
C[NH+]1CCC(NC(=O)CSC2=NN=N[N-]2)CC1	REAL250004572407	1	33	0.0	-63.96	279.12	2.05	-61.91
FC1(F)CC[NH+](CCCSC2=NN=N[N-]2)CC1	REAL250004572503	0	32	0.0	-61.16	271.16	5.23	-55.93
FC1(F)CC[NH+](CCCSC2=N[N-]N=N2)CC1	REAL250004572503	1	32	0.0	-61.91	271.57	5.22	-56.69
C[NH+](C)CCN1N=NN=C1SCCC1=NN=N[N-]1	REAL250004572728	0	33	0.0	-69.36	291.30	3.08	-66.28
C[NH+](C)CCN1N=NN=C1SCCC1=N[N-]N=N1	REAL250004572728	1	33	0.0	-69.34	291.24	3.07	-66.27
CC(C)[NH+](CCSCCC1=N[N-]N=N1)C(C)C	REAL250004572855	0	40	0.0	-50.47	301.31	5.95	-44.52
CC(C)[NH+](CCSCCC1=NN=N[N-]1)C(C)C	REAL250004572855	1	40	0.0	-50.50	301.37	5.97	-44.53
C[N@H+](CCSCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004572880	0	38	0.0	-57.39	317.38	7.55	-49.84
C[N@@H+](CCSCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004572880	1	38	0.0	-57.39	317.39	7.54	-49.85
C[N@H+](CCSCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004572880	1	38	0.0	-57.39	317.44	7.57	-49.82
C[N@@H+](CCSCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004572880	1	38	0.0	-57.43	317.45	7.56	-49.87
C[NH+](C)CCNC(=S)SCCC1=N[N-]N=N1	REAL250004572984	0	32	0.0	-70.41	286.26	3.37	-67.04
C[NH+](C)CCNC(=S)SCCC1=NN=N[N-]1	REAL250004572984	1	32	0.0	-70.41	286.31	3.38	-67.03
C[C@H](C1=CC=CC=C1SCCC1=N[N-]N=N1)[NH+](C)C	REAL250004573033	0	38	0.0	-58.98	304.75	7.13	-51.85
C[C@H](C1=CC=CC=C1SCCC1=NN=N[N-]1)[NH+](C)C	REAL250004573033	1	38	0.0	-58.95	304.81	7.14	-51.81
C[NH+](C)CC=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004573403	0	36	0.0	-68.12	308.73	4.68	-63.44
C[NH+](C)CC=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004573403	1	36	0.0	-68.05	308.80	4.67	-63.38
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004574314	0	38	0.0	-70.46	301.66	6.98	-63.48
CC(C(=O)N(C)C1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL250004574593	1	38	0.0	-59.38	298.16	7.65	-51.73
CC(C(=O)N(C)C1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL250004574593	1	38	0.0	-58.90	296.66	7.62	-51.28
CC[NH+](CC)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004574681	0	41	0.0	-54.59	299.75	7.69	-46.90
CN(C(=O)C(C1=CC=CC(Cl)=C1)[NH+](C)C)C1=NN=N[N-]1	REAL250004574816	1	35	0.0	-55.28	289.61	7.41	-47.87
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL250004574931	1	30	0.0	-67.18	257.62	7.35	-59.83
CN(C(=O)C1CC[NH+](C2CC2)CC1)C1=NN=N[N-]1	REAL250004575214	0	36	0.0	-39.57	269.78	6.69	-32.88
CN(C(=O)C1CC[NH+](C2CC2)CC1)C1=N[N-]N=N1	REAL250004575214	1	36	0.0	-39.49	269.95	6.67	-32.82
CC(C)[NH+]1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004575575	0	38	0.0	-38.77	279.25	6.67	-32.10
CC(C)[NH+]1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004575575	1	38	0.0	-38.78	279.42	6.66	-32.12
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004575701	0	39	0.0	-64.85	304.28	7.93	-56.92
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004575701	1	39	0.0	-64.26	307.25	8.07	-56.19
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004575701	1	39	0.0	-64.75	304.41	7.91	-56.84
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004575701	1	39	0.0	-64.14	307.39	8.05	-56.09
CN(C(=O)C1=CC=NC(OCC[NH+](C)C)=C1)C1=NN=N[N-]1	REAL250004576056	0	38	0.0	-66.40	308.86	4.07	-62.33
CN(C(=O)C1=CC=NC(OCC[NH+](C)C)=C1)C1=N[N-]N=N1	REAL250004576056	1	38	0.0	-66.30	309.00	4.06	-62.24
CN(C(=O)COC1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004576273	0	36	0.0	-74.03	285.39	5.79	-68.24
CN(C(=O)COC1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004576273	1	36	0.0	-74.09	285.25	5.82	-68.27
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=NN=N[N-]1	REAL250004576275	1	39	0.0	-72.38	307.51	7.41	-64.97
CN(C(=O)C1=CC(C[NH+](C)C)=CC=C1)C1=NN=N[N-]1	REAL250004576867	0	35	0.0	-70.75	280.44	6.81	-63.94
CN(C(=O)C1=CC(C[NH+](C)C)=CC=C1)C1=N[N-]N=N1	REAL250004576867	1	35	0.0	-70.66	280.57	6.82	-63.84
CC1=[NH+]C=C2CC(C(=O)N(C)C3=NN=N[N-]3)CCN21	REAL250004577007	1	34	0.0	-37.19	267.45	6.26	-30.93
CN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL250004577050	0	39	0.0	-76.60	309.92	6.59	-70.01
CN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL250004577050	1	39	0.0	-76.69	309.78	6.60	-70.09
CN(C(=O)C1CCC2(CC([NH+](C)C)C2)CC1)C1=N[N-]N=N1	REAL250004577146	0	45	0.0	-53.75	328.49	8.25	-45.50
CN(C(=O)C1CCC2(CC([NH+](C)C)C2)CC1)C1=NN=N[N-]1	REAL250004577146	1	45	0.0	-53.86	328.36	8.27	-45.59
CN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=N[N-]N=N1	REAL250004577180	0	38	0.0	-45.28	271.87	6.05	-39.23
CN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=NN=N[N-]1	REAL250004577180	1	38	0.0	-45.33	271.74	6.06	-39.27
CC1=[NH+]C=C2C=CC(C(=O)N(C)C3=NN=N[N-]3)=CN21	REAL250004577185	0	30	0.0	-62.37	253.73	6.59	-55.78
O=C(NC1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL250004578187	0	39	0.0	-59.21	308.77	7.41	-51.80
O=C(NC1=NN=N[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL250004578187	1	39	0.0	-59.22	308.71	7.41	-51.81
O=C(NC1=N[N-]N=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL250004578187	1	39	0.0	-59.16	308.86	7.39	-51.77
O=C(NC1=N[N-]N=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL250004578187	1	39	0.0	-59.13	308.81	7.40	-51.73
CC[NH+](CC)CC1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004578188	0	35	0.0	-66.28	287.94	5.39	-60.89
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578191	0	41	0.0	-72.11	317.16	7.49	-64.62
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004578191	1	41	0.0	-72.57	323.15	7.83	-64.74
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578191	1	41	0.0	-72.06	317.26	7.47	-64.59
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004578191	1	41	0.0	-72.50	323.25	7.81	-64.69
CC[N@H+](CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1)C(C)C	REAL250004578202	0	41	0.0	-69.47	310.74	7.16	-62.31
CC[N@@H+](CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1)C(C)C	REAL250004578202	1	41	0.0	-72.98	305.90	7.07	-65.91
CC[N@H+](CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1)C(C)C	REAL250004578202	1	41	0.0	-69.38	310.84	7.14	-62.24
CC[N@@H+](CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1)C(C)C	REAL250004578202	1	41	0.0	-72.88	306.00	7.06	-65.82
C[NH+]1CCN(C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)CC1	REAL250004578293	0	38	0.0	-60.54	300.86	6.19	-54.35
C[NH+]1CCN(C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)CC1	REAL250004578293	1	38	0.0	-60.44	300.96	6.18	-54.26
O=C(NC1=NN=N[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL250004578302	0	39	0.0	-68.70	308.69	7.45	-61.25
O=C(NC1=N[N-]N=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL250004578302	1	39	0.0	-68.66	308.77	7.44	-61.22
CC(C(=O)NC1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL250004578483	1	35	0.0	-56.00	282.54	6.22	-49.78
CC(C(=O)NC1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL250004578483	1	35	0.0	-55.74	282.51	6.24	-49.50
CC[NH+](CC)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004578579	0	38	0.0	-52.71	286.34	6.49	-46.22
O=C(NC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL250004579186	0	39	0.0	-73.30	307.31	7.56	-65.74
O=C(NC1=N[N-]N=N1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL250004579186	1	39	0.0	-73.21	307.41	7.55	-65.66
O=C(NC1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL250004579576	0	36	0.0	-60.91	292.32	6.67	-54.24
O=C(NC1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL250004579576	1	36	0.0	-61.54	292.55	6.73	-54.81
O=C(NC1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL250004579576	1	36	0.0	-60.86	292.42	6.66	-54.20
O=C(NC1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL250004579576	1	36	0.0	-61.46	292.65	6.72	-54.74
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004579766	0	39	0.0	-66.73	295.53	4.37	-62.36
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004579766	1	39	0.0	-68.55	293.65	4.29	-64.26
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004579766	1	39	0.0	-66.61	295.62	4.36	-62.25
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004579766	1	39	0.0	-68.38	293.74	4.28	-64.10
C[NH+](C)CCOC1=CC(C(=O)NC2=NN=N[N-]2)=CC=N1	REAL250004579900	0	35	0.0	-63.47	293.52	2.90	-60.57
C[NH+](C)CCOC1=CC(C(=O)NC2=N[N-]N=N2)=CC=N1	REAL250004579900	1	35	0.0	-63.40	293.62	2.89	-60.51
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=NN=N[N-]1	REAL250004580076	0	39	0.0	-64.18	309.30	7.24	-56.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=NN=N[N-]1	REAL250004580076	1	39	0.0	-67.15	312.07	7.29	-59.86
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=N[N-]N=N1	REAL250004580076	1	39	0.0	-64.02	309.38	7.23	-56.79
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=N[N-]N=N1	REAL250004580076	1	39	0.0	-67.06	312.17	7.28	-59.78
O=C(NC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL250004580112	1	36	0.0	-67.96	292.68	5.81	-62.15
O=C(NC1=NN=N[N-]1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL250004580369	0	40	0.0	-66.38	316.08	7.70	-58.68
O=C(NC1=NN=N[N-]1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL250004580369	1	40	0.0	-67.94	318.52	7.64	-60.30
O=C(NC1=N[N-]N=N1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL250004580369	1	40	0.0	-66.25	316.17	7.69	-58.56
O=C(NC1=N[N-]N=N1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL250004580369	1	40	0.0	-67.89	318.61	7.63	-60.26
O=C(NC1=NN=N[N-]1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL250004580681	0	39	0.0	-66.24	307.32	7.56	-58.68
O=C(NC1=N[N-]N=N1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL250004580681	1	39	0.0	-66.14	307.42	7.54	-58.60
C[NH+](C)CCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004580843	0	36	0.0	-72.33	295.54	5.50	-66.83
C[NH+](C)CCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004580843	1	36	0.0	-72.24	295.64	5.50	-66.74
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=N[N-]N=N1)CC2	REAL250004580926	0	42	0.0	-67.56	316.13	6.88	-60.68
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=NN=N[N-]1)CC2	REAL250004580926	1	42	0.0	-67.57	316.04	6.89	-60.68
C[NH+](C)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004581041	0	40	0.0	-68.03	301.43	2.95	-65.08
C[NH+](C)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004581041	1	40	0.0	-68.08	301.49	2.96	-65.12
C[NH+](C)C(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581042	0	40	0.0	-54.79	311.72	2.70	-52.09
C[NH+](C)C(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581042	1	40	0.0	-54.77	311.79	2.71	-52.06
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCCCC1	REAL250004581043	0	47	0.0	-65.39	343.29	4.74	-60.65
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCCCC1	REAL250004581043	1	47	0.0	-65.42	343.34	4.75	-60.67
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004581045	0	47	0.0	-70.09	332.48	5.20	-64.89
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004581045	1	47	0.0	-70.15	332.54	5.22	-64.93
C[N@@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581067	0	38	0.0	-69.04	289.81	4.73	-64.31
C[N@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581067	1	38	0.0	-68.97	289.78	4.73	-64.24
C[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581067	1	38	0.0	-69.06	289.86	4.75	-64.31
C[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581067	1	38	0.0	-69.04	289.84	4.74	-64.30
C[N@@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004581068	0	38	0.0	-56.92	294.97	5.39	-51.53
C[N@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004581068	1	38	0.0	-56.94	294.94	5.38	-51.56
C[N@@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004581068	1	38	0.0	-56.95	294.90	5.39	-51.56
C[N@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004581068	1	38	0.0	-56.96	294.87	5.38	-51.58
CC[NH+](CC)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004581081	0	43	0.0	-70.39	329.86	3.63	-66.76
CC[NH+](CC)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004581081	1	43	0.0	-70.41	329.92	3.65	-66.76
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCOCC1	REAL250004581173	1	42	0.0	-73.81	331.53	2.00	-71.81
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCOCC1	REAL250004581173	1	42	0.0	-73.81	331.59	2.02	-71.79
CC[NH+](CC)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004581208	0	40	0.0	-68.37	308.37	2.83	-65.54
CC[NH+](CC)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004581208	1	40	0.0	-68.40	308.42	2.85	-65.55
CC[NH+](CC)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581209	0	40	0.0	-57.90	323.42	2.91	-54.99
CC[NH+](CC)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581209	1	40	0.0	-57.85	323.49	2.92	-54.93
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL250004581222	1	41	0.0	-69.80	331.41	3.92	-65.88
C[NH+](C)CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581237	0	40	0.0	-78.17	323.37	5.42	-72.75
C[NH+](C)CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581237	1	40	0.0	-77.89	323.44	5.44	-72.45
C[NH+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581238	0	37	0.0	-60.95	309.22	2.33	-58.62
C[NH+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581238	1	37	0.0	-60.95	309.29	2.35	-58.60
C[NH+](C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004581239	0	37	0.0	-75.65	301.88	4.63	-71.02
C[NH+](C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004581239	1	37	0.0	-75.43	301.94	4.66	-70.77
C[NH+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581240	0	34	0.0	-60.29	287.72	1.54	-58.75
C[NH+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581240	1	34	0.0	-60.23	287.79	1.55	-58.68
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](C)CC1	REAL250004581252	0	41	0.0	-71.51	313.68	4.78	-66.73
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](C)CC1	REAL250004581252	1	41	0.0	-71.52	313.74	4.79	-66.73
CCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581317	0	44	0.0	-69.59	339.41	4.40	-65.19
CCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581317	1	44	0.0	-69.60	339.47	4.41	-65.19
CC1CCCC[N@@H+]1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004581319	0	47	0.0	-69.58	350.19	4.59	-64.99
CC1CCCC[N@H+]1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004581319	1	47	0.0	-69.57	350.22	4.59	-64.98
CC1CCCC[N@@H+]1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004581319	1	47	0.0	-69.61	350.25	4.60	-65.01
CC1CCCC[N@H+]1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004581319	1	47	0.0	-69.59	350.28	4.60	-64.99
CC1CC[NH+](CCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581332	0	47	0.0	-71.46	360.65	5.00	-66.46
CC1CC[NH+](CCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581332	1	47	0.0	-71.49	360.71	5.01	-66.48
CC(C)[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581338	0	44	0.0	-68.27	330.91	3.95	-64.32
CC(C)[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581338	1	44	0.0	-68.31	330.97	3.96	-64.35
C[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581339	0	38	0.0	-70.37	300.25	2.99	-67.38
C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581339	1	38	0.0	-70.40	300.31	3.01	-67.39
C[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004581340	0	38	0.0	-61.01	310.85	2.79	-58.22
C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004581340	1	38	0.0	-61.00	310.92	2.81	-58.19
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCCC1	REAL250004581345	0	41	0.0	-70.61	324.59	3.71	-66.90
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCCC1	REAL250004581345	1	41	0.0	-70.63	324.64	3.73	-66.90
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCCCC1	REAL250004581348	0	44	0.0	-70.65	339.81	4.38	-66.27
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCCCC1	REAL250004581348	1	44	0.0	-70.69	339.86	4.40	-66.29
C[NH+]1CCN(CCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581349	0	46	0.0	-72.07	357.12	1.97	-70.10
CC(C)[NH+](CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004581377	0	46	0.0	-65.56	338.46	3.75	-61.81
CC(C)[NH+](CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004581377	1	46	0.0	-65.56	338.52	3.76	-61.80
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCCCCC1	REAL250004581378	0	47	0.0	-72.17	350.28	4.62	-67.55
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCCCCC1	REAL250004581378	1	47	0.0	-72.17	350.34	4.63	-67.54
CC[N@@H+]1CCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004581395	0	41	0.0	-66.87	315.57	3.18	-63.69
CC[N@H+]1CCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004581395	1	41	0.0	-67.23	316.78	3.74	-63.49
CC[N@@H+]1CCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004581395	1	41	0.0	-66.92	315.62	3.19	-63.73
CC[N@H+]1CCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004581395	1	41	0.0	-67.30	316.84	3.76	-63.54
C[NH+](C)CC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004581396	0	43	0.0	-70.63	323.81	3.96	-66.67
C[NH+](C)CC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004581396	1	43	0.0	-70.65	323.86	3.98	-66.67
CC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581397	0	41	0.0	-69.25	317.44	3.62	-65.63
CC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581397	1	41	0.0	-69.26	317.50	3.64	-65.62
CC(C)C[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004581398	0	44	0.0	-71.43	332.21	5.56	-65.87
CC(C)C[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004581398	1	44	0.0	-71.43	332.27	5.58	-65.85
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CCCC1	REAL250004581423	0	38	0.0	-68.96	303.09	2.93	-66.03
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CCCC1	REAL250004581423	1	38	0.0	-68.98	303.15	2.94	-66.04
O=C(NCC[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581424	0	38	0.0	-58.58	313.75	2.73	-55.85
O=C(NCC[NH+]1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581424	1	38	0.0	-58.57	313.68	2.73	-55.84
CC[NH+](CC)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581663	0	38	0.0	-66.39	297.70	4.37	-62.02
CC(C)[N@H+](C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581669	0	38	0.0	-66.72	300.94	4.51	-62.21
CC(C)[N@@H+](C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581669	1	38	0.0	-66.70	300.94	4.52	-62.18
C[NH+](C)CCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004581715	0	41	0.0	-75.16	331.81	5.46	-69.70
C[NH+](C)CCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581715	1	41	0.0	-75.12	331.88	5.45	-69.67
CC(C)C(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL250004581717	0	41	0.0	-69.53	317.08	5.31	-64.22
CCC[N@H+](C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581722	0	38	0.0	-68.50	306.02	4.71	-63.79
CCC[N@@H+](C)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581722	1	38	0.0	-65.31	306.03	4.71	-60.60
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581741	1	39	0.0	-66.07	308.30	4.92	-61.15
C[N@H+]1CCCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581741	1	39	0.0	-65.19	299.23	4.71	-60.48
C[N@@H+]1CCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581761	1	36	0.0	-63.78	292.36	4.26	-59.52
C[N@H+]1CCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581761	1	36	0.0	-70.58	286.81	3.85	-66.73
C[NH+]1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004581782	0	39	0.0	-77.85	311.08	4.96	-72.89
C[NH+]1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004581782	1	39	0.0	-77.79	311.15	4.95	-72.84
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581812	1	39	0.0	-59.04	308.43	4.92	-54.12
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581812	1	39	0.0	-65.18	299.23	4.71	-60.47
CC(C)[C@@H](C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL250004581868	0	41	0.0	-68.69	314.79	5.44	-63.25
O=C(C[NH+]1CCCC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004581915	1	36	0.0	-68.24	290.49	4.34	-63.90
CC[N@H+](CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL250004581929	1	39	0.0	-65.52	315.11	5.35	-60.17
CC[N@@H+](CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL250004581929	1	39	0.0	-60.32	311.54	5.08	-55.24
CCC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL250004581938	0	38	0.0	-65.23	297.17	4.33	-60.90
CCCC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL250004581941	0	41	0.0	-66.12	318.52	5.11	-61.01
C=C(C[NH+](C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582042	0	36	0.0	-80.47	291.87	4.75	-75.72
C=C(C[NH+](C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582042	1	36	0.0	-80.43	291.93	4.75	-75.68
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CCC[NH+]1CCC2	REAL250004582117	0	40	0.0	-73.46	311.04	5.24	-68.22
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC[N@@H+]1C1CC1	REAL250004582149	1	40	0.0	-63.09	319.43	5.60	-57.49
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC[N@H+]1C1CC1	REAL250004582149	1	40	0.0	-64.67	318.90	5.67	-59.00
CC1=[NH+]C=CN1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582193	1	34	0.0	-65.31	296.22	4.92	-60.39
C[NH+](C)C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582196	1	36	0.0	-63.82	290.65	4.15	-59.67
C[N@H+](CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL250004582309	0	39	0.0	-66.03	312.89	5.28	-60.75
C[N@@H+](CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL250004582309	1	39	0.0	-67.10	312.75	5.31	-61.79
C[C@@H]1[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL250004582373	0	39	0.0	-77.49	303.21	4.27	-73.22
C[C@@H]1[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL250004582373	1	39	0.0	-73.45	308.84	4.67	-68.78
C[C@@H]1[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC[N@@H+]1C	REAL250004582373	1	39	0.0	-77.50	303.15	4.28	-73.22
C[C@@H]1[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC[N@H+]1C	REAL250004582373	1	39	0.0	-73.49	308.78	4.68	-68.81
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CC[N@H+](C1)CCC2	REAL250004582399	0	40	0.0	-71.34	308.13	4.52	-66.82
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CC[N@@H+](C1)CCC2	REAL250004582399	1	40	0.0	-83.22	307.56	4.61	-78.61
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C12CC[N@H+](C1)CCC2	REAL250004582399	1	40	0.0	-71.33	308.06	4.53	-66.80
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C12CC[N@@H+](C1)CCC2	REAL250004582399	1	40	0.0	-83.27	307.49	4.62	-78.65
C[NH+](C)CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004582433	0	39	0.0	-67.01	312.31	5.02	-61.99
C[NH+](C)CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582433	1	39	0.0	-67.06	312.38	5.01	-62.05
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582446	1	36	0.0	-65.97	292.41	4.34	-61.63
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582446	1	36	0.0	-65.77	286.77	3.87	-61.90
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582447	1	36	0.0	-70.18	286.81	3.86	-66.32
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582447	1	36	0.0	-66.09	291.34	4.35	-61.74
C[C@H](C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL250004582448	1	35	0.0	-68.16	284.62	3.71	-64.45
CC1=C[NH+]=CN1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582461	1	34	0.0	-66.24	296.56	5.65	-60.59
C[C@@H](C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL250004582476	1	35	0.0	-68.39	284.76	3.74	-64.65
C=C(CC[NH+](C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582485	0	39	0.0	-83.22	320.42	5.20	-78.02
C=C(CC[NH+](C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582485	1	39	0.0	-83.10	320.48	5.18	-77.92
C[NH+]1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004582498	0	39	0.0	-77.85	311.08	4.96	-72.89
C[NH+]1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582498	1	39	0.0	-77.79	311.15	4.95	-72.84
CC[C@@H](C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL250004582502	0	38	0.0	-63.11	297.34	4.33	-58.78
CC[C@H](C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL250004582503	0	38	0.0	-66.18	295.93	4.29	-61.89
CC(CC[NH+](C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582581	0	41	0.0	-72.06	327.03	5.19	-66.87
CC(CC[NH+](C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582581	1	41	0.0	-72.04	327.09	5.18	-66.86
CC(C)(C)[NH2+]CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582627	0	41	0.0	-74.89	326.96	3.62	-71.27
CC(C)(C)[NH2+]CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582627	1	41	0.0	-74.89	327.02	3.62	-71.27
C[NH+](C)CC(O)CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582647	0	39	0.0	-77.61	319.04	2.28	-75.33
C[NH+](C)CC(O)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582647	1	39	0.0	-77.59	319.11	2.27	-75.32
CC(C[NH+](C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582648	0	38	0.0	-63.62	304.76	4.68	-58.94
CC(C[NH+](C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582648	1	38	0.0	-63.60	304.83	4.67	-58.93
C[NH+](C)CC=CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582649	0	36	0.0	-74.81	302.68	4.52	-70.29
C[NH+](C)CC=CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582649	1	36	0.0	-74.72	302.74	4.51	-70.21
C=CCC(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL250004582685	0	39	0.0	-64.42	309.73	4.82	-59.60
C[N@@H+]1CCCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582691	0	39	0.0	-71.24	311.66	4.92	-66.32
C[N@H+]1CCCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582691	1	39	0.0	-70.13	311.17	4.91	-65.22
C[N@@H+]1CCCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582691	1	39	0.0	-71.22	311.59	4.93	-66.29
C[N@H+]1CCCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582691	1	39	0.0	-70.15	311.10	4.91	-65.24
C[N@H+]1CC=C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582706	0	40	0.0	-67.89	325.66	5.64	-62.25
C[N@@H+]1CC=C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004582706	1	40	0.0	-64.53	325.67	5.63	-58.90
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004582989	0	39	0.0	-69.23	316.29	5.05	-64.18
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004582989	1	39	0.0	-69.14	316.35	5.04	-64.10
C[NH+]1CCN(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583005	0	43	0.0	-70.69	335.63	1.18	-69.51
C[NH+]1CCN(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583005	1	43	0.0	-70.66	335.69	1.20	-69.46
CC[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583007	1	38	0.0	-71.61	292.93	4.10	-67.51
CC[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583007	1	38	0.0	-71.62	292.99	4.11	-67.51
CC[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004583008	1	38	0.0	-56.96	300.57	4.33	-52.63
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CC2)CC1	REAL250004583040	0	42	0.0	-67.61	325.11	4.19	-63.42
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CC2)CC1	REAL250004583040	1	42	0.0	-67.61	325.16	4.21	-63.40
CN(C)C1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=[NH+]1	REAL250004583053	1	40	0.0	-65.09	329.94	3.62	-61.47
C[NH+](C)CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004583056	0	41	0.0	-76.43	331.41	5.27	-71.16
C[NH+](C)CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004583056	1	41	0.0	-76.45	331.46	5.28	-71.17
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)CC(C)(C)[NH2+]1	REAL250004583086	0	47	0.0	-69.79	351.23	3.06	-66.73
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)CC(C)(C)[NH2+]1	REAL250004583086	1	47	0.0	-69.78	351.29	3.08	-66.70
CC(C)[NH+]1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583109	0	47	0.0	-67.93	347.99	5.96	-61.97
CC(C)[NH+]1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583109	1	47	0.0	-67.96	348.05	5.98	-61.98
CC(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583198	0	41	0.0	-70.53	306.54	4.37	-66.16
CC(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583198	1	41	0.0	-70.55	306.60	4.38	-66.17
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2CCCC2)CC1	REAL250004583305	0	45	0.0	-71.45	331.39	5.74	-65.71
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2CCCC2)CC1	REAL250004583305	1	45	0.0	-71.43	331.44	5.75	-65.68
CC(C[NH+]1CCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004583357	0	44	0.0	-69.90	336.92	4.81	-65.09
CC(C[NH+]1CCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004583357	1	44	0.0	-69.91	336.98	4.82	-65.09
CC(C)[N@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583369	0	43	0.0	-70.09	333.04	3.72	-66.37
CC(C)[N@@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583369	1	43	0.0	-70.09	333.04	3.74	-66.35
CC(C)[N@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583369	1	43	0.0	-70.08	333.10	3.74	-66.34
CC(C)[N@@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583369	1	43	0.0	-70.07	333.10	3.76	-66.31
CN(C)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=[NH+]1	REAL250004583389	1	40	0.0	-64.26	328.65	3.68	-60.58
COCC[N@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583404	0	44	0.0	-70.91	348.94	2.38	-68.53
COCC[N@@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583404	1	44	0.0	-70.96	348.96	2.39	-68.57
COCC[N@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583404	1	44	0.0	-70.92	349.00	2.39	-68.53
COCC[N@@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583404	1	44	0.0	-71.02	349.01	2.41	-68.61
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CCCCC1	REAL250004583422	0	41	0.0	-69.12	318.31	3.59	-65.53
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CCCCC1	REAL250004583422	1	41	0.0	-69.16	318.36	3.60	-65.56
CC1CCC[N@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004583423	0	44	0.0	-69.08	339.62	4.23	-64.85
CC1CCC[N@@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004583423	1	44	0.0	-68.85	332.88	4.24	-64.61
CC1CCC[N@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004583423	1	44	0.0	-69.11	339.68	4.24	-64.87
CC1CCC[N@@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004583423	1	44	0.0	-68.90	332.94	4.25	-64.65
CC1CC(C)C[NH+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004583425	0	47	0.0	-69.52	360.47	4.81	-64.71
CC1CC(C)C[NH+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004583425	1	47	0.0	-69.51	360.53	4.83	-64.68
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+]1CCCC(C)C1	REAL250004583426	0	47	0.0	-68.05	350.01	4.81	-63.24
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+]1CCCC(C)C1	REAL250004583426	1	47	0.0	-67.72	350.28	4.87	-62.85
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+]1CCCC(C)C1	REAL250004583426	1	47	0.0	-68.03	350.07	4.83	-63.20
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@H+]1CCCC(C)C1	REAL250004583426	1	47	0.0	-67.75	350.34	4.88	-62.87
CC1CC[NH+](CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583427	0	44	0.0	-69.88	339.15	4.20	-65.68
CC1CC[NH+](CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583427	1	44	0.0	-69.92	339.21	4.22	-65.70
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+]1CCCCC1C	REAL250004583449	0	47	0.0	-65.40	346.15	4.71	-60.69
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+]1CCCCC1C	REAL250004583449	1	47	0.0	-66.09	340.72	4.75	-61.34
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+]1CCCCC1C	REAL250004583449	1	47	0.0	-65.45	346.20	4.72	-60.73
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@H+]1CCCCC1C	REAL250004583449	1	47	0.0	-66.12	340.77	4.76	-61.36
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004583457	0	44	0.0	-69.32	326.82	4.17	-65.15
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004583457	1	44	0.0	-69.28	326.88	4.19	-65.09
O=C(CCCC1=N[N-]N=N1)NCCCC[NH+]1CCOCC1	REAL250004583483	0	45	0.0	-73.56	353.02	2.77	-70.79
O=C(CCCC1=NN=N[N-]1)NCCCC[NH+]1CCOCC1	REAL250004583483	1	45	0.0	-73.54	353.08	2.79	-70.75
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+]2CCCCC12	REAL250004583485	0	42	0.0	-68.30	319.90	4.41	-63.89
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+]2CCCCC12	REAL250004583485	1	42	0.0	-68.23	319.83	4.42	-63.81
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+]2CCCCC12	REAL250004583485	1	42	0.0	-68.31	319.95	4.43	-63.88
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+]2CCCCC12	REAL250004583485	1	42	0.0	-68.24	319.89	4.43	-63.81
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+]2CCCC2C1	REAL250004583497	0	42	0.0	-68.50	319.99	4.31	-64.19
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+]2CCCC2C1	REAL250004583497	1	42	0.0	-67.05	323.41	4.12	-62.93
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+]2CCCC2C1	REAL250004583497	1	42	0.0	-68.49	320.05	4.33	-64.16
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+]2CCCC2C1	REAL250004583497	1	42	0.0	-67.10	323.47	4.14	-62.96
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2CC2)CC1	REAL250004583573	0	45	0.0	-69.87	349.44	5.20	-64.67
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2CC2)CC1	REAL250004583573	1	45	0.0	-69.87	349.49	5.21	-64.66
CC(CNC(=O)CCCC1=N[N-]N=N1)C[NH+]1CCCC1	REAL250004583580	0	44	0.0	-66.31	339.32	4.41	-61.90
CC(CNC(=O)CCCC1=NN=N[N-]1)C[NH+]1CCCC1	REAL250004583580	1	44	0.0	-66.33	339.38	4.43	-61.90
CC(C)(C)[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583594	0	47	0.0	-66.10	347.07	4.39	-61.71
CC(C)(C)[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583594	1	47	0.0	-66.11	347.13	4.41	-61.70
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CC2CC2)CC1	REAL250004583598	0	42	0.0	-74.05	322.38	5.41	-68.64
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC2CC2)CC1	REAL250004583598	1	42	0.0	-74.07	322.44	5.42	-68.65
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004583599	0	41	0.0	-70.71	313.00	4.87	-65.84
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004583599	1	41	0.0	-70.74	313.05	4.89	-65.85
CC1=[NH+]C=CN1CC(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004583602	1	42	0.0	-65.90	342.61	4.85	-61.05
CC1=[NH+]C=CN1CC(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004583602	1	42	0.0	-65.90	342.67	4.86	-61.04
CC(CNC(=O)CCCC1=N[N-]N=N1)C[NH+]1CCCCC1	REAL250004583623	0	47	0.0	-69.64	355.61	5.19	-64.45
CC(CNC(=O)CCCC1=NN=N[N-]1)C[NH+]1CCCCC1	REAL250004583623	1	47	0.0	-69.70	355.67	5.20	-64.50
CC1=[NH+]C=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004583632	1	39	0.0	-66.32	325.73	4.07	-62.25
CC1=[NH+]C=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004583632	1	39	0.0	-66.31	325.79	4.09	-62.22
C[N@@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004583639	0	38	0.0	-70.39	302.96	2.84	-67.55
C[N@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004583639	1	38	0.0	-71.76	303.17	2.87	-68.89
C[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004583639	1	38	0.0	-70.37	303.02	2.85	-67.52
C[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004583639	1	38	0.0	-71.77	303.23	2.88	-68.89
C[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004583640	0	38	0.0	-60.45	313.68	2.66	-57.79
C[N@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004583640	1	38	0.0	-60.13	313.43	2.64	-57.49
C[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004583640	1	38	0.0	-60.42	313.75	2.67	-57.75
C[N@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004583640	1	38	0.0	-60.12	313.50	2.65	-57.47
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+](C2CC2)C1	REAL250004583641	0	42	0.0	-68.55	333.18	4.22	-64.33
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+](C2CC2)C1	REAL250004583641	1	42	0.0	-67.95	333.83	4.33	-63.62
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+](C2CC2)C1	REAL250004583641	1	42	0.0	-68.58	333.24	4.24	-64.34
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+](C2CC2)C1	REAL250004583641	1	42	0.0	-68.03	333.89	4.34	-63.69
CC(C)(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583651	0	44	0.0	-68.59	322.65	4.83	-63.76
CC(C)(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583651	1	44	0.0	-68.62	322.71	4.85	-63.77
CC[NH+](CC)CCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004583655	0	49	0.0	-70.12	375.58	5.70	-64.42
CC[NH+](CC)CCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004583655	1	49	0.0	-70.13	375.64	5.72	-64.41
CCC[NH+]1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583701	0	47	0.0	-70.32	352.84	6.18	-64.14
CCC[NH+]1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583701	1	47	0.0	-70.37	352.90	6.20	-64.17
CC[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583732	0	44	0.0	-71.73	337.80	4.37	-67.36
CC[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583732	1	44	0.0	-71.78	337.86	4.39	-67.39
CC(C)CC(C[NH+](C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004583741	0	46	0.0	-72.96	352.84	4.82	-68.14
CC(C)CC(C[NH+](C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004583741	1	46	0.0	-72.98	352.90	4.83	-68.15
CC(C[N@@H+]1CCCC(C)C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004583756	0	47	0.0	-69.50	358.32	5.43	-64.07
CC(C[N@H+]1CCCC(C)C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004583756	1	47	0.0	-69.51	358.32	5.43	-64.08
CC(C[N@@H+]1CCCC(C)C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004583756	1	47	0.0	-69.50	358.37	5.44	-64.06
CC(C[N@H+]1CCCC(C)C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004583756	1	47	0.0	-69.50	358.38	5.44	-64.06
C[NH+](C)CCCN(CCC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004583780	0	44	0.0	-73.00	357.54	6.06	-66.94
C[NH+](C)CCCN(CCC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004583780	1	44	0.0	-72.98	357.60	6.08	-66.90
COCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583781	0	45	0.0	-67.95	350.51	2.84	-65.11
COCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583781	1	45	0.0	-67.95	350.56	2.85	-65.10
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](C2CC2)C1	REAL250004583790	0	39	0.0	-68.62	312.78	3.76	-64.86
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](C2CC2)C1	REAL250004583790	1	39	0.0	-67.55	312.18	3.67	-63.88
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](C2CC2)C1	REAL250004583790	1	39	0.0	-68.60	312.84	3.77	-64.83
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](C2CC2)C1	REAL250004583790	1	39	0.0	-67.56	312.24	3.68	-63.88
O=C(NC1CC[N@@H+](C2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583791	0	39	0.0	-57.53	322.32	3.48	-54.05
O=C(NC1CC[N@H+](C2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583791	1	39	0.0	-57.55	323.45	3.44	-54.11
C[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004583813	0	38	0.0	-67.47	306.39	3.15	-64.32
C[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004583813	1	38	0.0	-67.45	306.39	3.15	-64.30
C[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004583813	1	38	0.0	-67.47	306.45	3.17	-64.30
C[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004583813	1	38	0.0	-67.41	306.45	3.17	-64.24
C[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004583814	0	38	0.0	-57.62	316.98	2.97	-54.65
C[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004583814	1	38	0.0	-57.66	317.12	2.97	-54.69
C[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004583814	1	38	0.0	-57.58	317.05	2.96	-54.62
C[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004583814	1	38	0.0	-57.67	317.19	2.98	-54.69
CC(C)[N@@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004583842	0	44	0.0	-68.29	340.74	4.05	-64.24
CC(C)[N@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004583842	1	44	0.0	-68.75	339.84	3.99	-64.76
CC(C)[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004583842	1	44	0.0	-68.32	340.79	4.06	-64.26
CC(C)[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004583842	1	44	0.0	-68.76	339.90	4.00	-64.76
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+]2CCCCC2C1	REAL250004583845	0	42	0.0	-71.09	317.19	5.14	-65.95
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+]2CCCCC2C1	REAL250004583845	1	42	0.0	-71.14	317.17	5.15	-65.99
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+]2CCCCC2C1	REAL250004583845	1	42	0.0	-71.09	317.24	5.16	-65.93
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+]2CCCCC2C1	REAL250004583845	1	42	0.0	-71.15	317.23	5.16	-65.99
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2CC2)CC1	REAL250004583848	1	39	0.0	-70.70	300.60	4.65	-66.05
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2CC2)CC1	REAL250004583848	1	39	0.0	-70.70	300.66	4.66	-66.04
CC[N@@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004583891	0	44	0.0	-69.59	337.77	4.35	-65.24
CC[N@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004583891	1	44	0.0	-69.55	337.79	4.35	-65.20
CC[N@@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004583891	1	44	0.0	-69.60	337.83	4.36	-65.24
CC[N@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004583891	1	44	0.0	-69.59	337.84	4.36	-65.23
CC(C)(C)[N@@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583896	0	47	0.0	-65.21	337.93	6.07	-59.14
CC(C)(C)[N@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004583896	1	47	0.0	-65.19	337.99	6.08	-59.11
CC(C)(C)[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583896	1	47	0.0	-65.20	337.99	6.09	-59.11
CC(C)(C)[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004583896	1	47	0.0	-65.19	338.04	6.10	-59.09
CC(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCC(C)CC1	REAL250004583902	0	47	0.0	-68.82	349.88	4.81	-64.01
CC(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCC(C)CC1	REAL250004583902	1	47	0.0	-68.84	349.93	4.82	-64.02
CC(C)[N@@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004583904	0	47	0.0	-65.08	347.54	4.85	-60.23
CC(C)[N@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004583904	1	47	0.0	-65.05	347.54	4.85	-60.20
CC(C)[N@@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004583904	1	47	0.0	-65.07	347.60	4.86	-60.21
CC(C)[N@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004583904	1	47	0.0	-65.06	347.60	4.86	-60.20
O=C(CCCC1=N[N-]N=N1)N1CCCC1C[NH+]1CCCC1	REAL250004583920	0	45	0.0	-61.80	342.76	5.96	-55.84
O=C(CCCC1=NN=N[N-]1)N1CCCC1C[NH+]1CCCC1	REAL250004583920	1	45	0.0	-61.80	342.81	5.98	-55.82
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](C2CC2)CC1	REAL250004583924	0	42	0.0	-65.82	318.61	6.08	-59.74
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](C2CC2)CC1	REAL250004583924	1	42	0.0	-65.75	318.78	6.08	-59.67
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](C2CC2)CC1	REAL250004583924	1	42	0.0	-65.87	318.66	6.10	-59.77
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](C2CC2)CC1	REAL250004583924	1	42	0.0	-65.78	318.84	6.09	-59.69
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+]2CCCC2C1	REAL250004583939	0	42	0.0	-67.11	306.98	5.44	-61.67
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+]2CCCC2C1	REAL250004583939	1	42	0.0	-66.87	305.88	5.52	-61.35
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+]2CCCC2C1	REAL250004583939	1	42	0.0	-67.13	307.04	5.46	-61.67
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+]2CCCC2C1	REAL250004583939	1	42	0.0	-66.86	305.94	5.54	-61.32
C[NH+](C)CCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004583968	0	41	0.0	-76.37	334.58	4.24	-72.13
C[NH+](C)CCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004583968	1	41	0.0	-76.31	334.52	4.23	-72.08
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[NH+](C)C	REAL250004583981	0	40	0.0	-75.96	312.12	5.36	-70.60
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[NH+](C)C	REAL250004583981	1	40	0.0	-75.77	311.83	5.37	-70.40
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+](C)C	REAL250004583982	0	37	0.0	-56.19	297.91	2.15	-54.04
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+](C)C	REAL250004583982	1	37	0.0	-56.18	297.97	2.16	-54.02
CC1=[NH+]C=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004584011	1	36	0.0	-65.68	304.23	3.32	-62.36
CC1=[NH+]C=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004584011	1	36	0.0	-65.67	304.29	3.34	-62.33
CC1=[NH+]C=CN1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004584012	1	36	0.0	-54.91	314.89	3.13	-51.78
O=C(CCCC1=N[N-]N=N1)NCC1C[N@@H+]2CCCC2CO1	REAL250004584027	0	43	0.0	-69.98	336.41	2.52	-67.46
O=C(CCCC1=N[N-]N=N1)NCC1C[N@H+]2CCCC2CO1	REAL250004584027	1	43	0.0	-65.85	330.59	2.42	-63.43
O=C(CCCC1=NN=N[N-]1)NCC1C[N@@H+]2CCCC2CO1	REAL250004584027	1	43	0.0	-69.97	336.47	2.54	-67.43
O=C(CCCC1=NN=N[N-]1)NCC1C[N@H+]2CCCC2CO1	REAL250004584027	1	43	0.0	-65.88	330.65	2.43	-63.45
CC[NH+](CC)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584263	0	38	0.0	-68.87	298.25	4.38	-64.49
CC(C)[N@H+](C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584269	0	38	0.0	-68.02	301.17	4.49	-63.53
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584269	1	38	0.0	-68.05	300.88	4.51	-63.54
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584278	0	38	0.0	-69.43	305.70	3.03	-66.40
C[NH+](C)CCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584317	0	41	0.0	-72.11	332.08	5.45	-66.66
C[NH+](C)CCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584317	1	41	0.0	-72.15	332.12	5.43	-66.72
CC(C)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004584319	0	41	0.0	-66.49	311.48	5.25	-61.24
CCC[N@H+](C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584324	0	38	0.0	-70.88	305.98	4.72	-66.16
CCC[N@@H+](C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584324	1	38	0.0	-70.89	305.69	4.74	-66.15
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584343	1	39	0.0	-68.27	299.44	4.73	-63.54
C[N@H+]1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584343	1	39	0.0	-67.72	299.05	4.72	-63.00
C[N@@H+]1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584363	1	36	0.0	-68.90	286.79	3.86	-65.04
C[N@H+]1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584363	1	36	0.0	-69.06	286.71	3.86	-65.20
C[NH+]1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004584384	0	39	0.0	-74.70	311.29	4.97	-69.73
C[NH+]1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004584384	1	39	0.0	-74.69	311.26	4.98	-69.71
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584415	1	39	0.0	-65.92	308.35	4.91	-61.01
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584415	1	39	0.0	-68.12	299.60	4.72	-63.40
C[NH+](C)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004584456	0	39	0.0	-73.65	297.60	4.79	-68.86
CC(C)[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004584474	0	41	0.0	-66.33	313.03	4.90	-61.43
O=C(C[NH+]1CCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584522	1	36	0.0	-69.61	291.51	4.38	-65.23
CC[N@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004584536	1	39	0.0	-66.72	311.17	5.13	-61.59
CC[N@@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004584536	1	39	0.0	-67.92	312.77	5.27	-62.65
CCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004584548	0	38	0.0	-68.01	301.24	4.80	-63.21
CCCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004584551	0	41	0.0	-68.76	322.74	5.56	-63.20
C=C(C[NH+](C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004584657	0	36	0.0	-75.68	298.77	4.36	-71.32
C=C(C[NH+](C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584657	1	36	0.0	-75.66	298.80	4.35	-71.31
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC[NH+]1CCC2	REAL250004584734	0	40	0.0	-70.80	311.17	5.23	-65.57
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@@H+]1C1CC1	REAL250004584767	1	40	0.0	-64.85	324.28	5.81	-59.04
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@H+]1C1CC1	REAL250004584767	1	40	0.0	-68.72	317.30	5.18	-63.54
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004584812	1	34	0.0	-65.95	296.19	4.92	-61.03
C[NH+](C)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004584815	1	36	0.0	-72.85	288.11	4.66	-68.19
C[N@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL250004584935	0	39	0.0	-68.21	312.85	5.28	-62.93
C[N@@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL250004584935	1	39	0.0	-68.66	312.99	5.29	-63.37
C[C@@H]1[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@@H+]1C	REAL250004585000	0	39	0.0	-72.13	304.04	4.46	-67.67
C[C@@H]1[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@H+]1C	REAL250004585000	1	39	0.0	-72.47	308.62	4.58	-67.89
C[C@@H]1[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[N@@H+]1C	REAL250004585000	1	39	0.0	-71.86	304.14	4.47	-67.39
C[C@@H]1[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[N@H+]1C	REAL250004585000	1	39	0.0	-72.41	308.58	4.59	-67.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC[N@H+](C1)CCC2	REAL250004585026	0	40	0.0	-70.92	308.29	4.53	-66.39
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC[N@@H+](C1)CCC2	REAL250004585026	1	40	0.0	-77.32	307.55	4.63	-72.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC[N@H+](C1)CCC2	REAL250004585026	1	40	0.0	-70.91	308.25	4.54	-66.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC[N@@H+](C1)CCC2	REAL250004585026	1	40	0.0	-77.30	307.51	4.64	-72.66
C[NH+](C)CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004585060	0	39	0.0	-69.46	316.62	5.06	-64.40
C[NH+](C)CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004585060	1	39	0.0	-69.49	316.63	5.05	-64.44
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585074	1	36	0.0	-65.80	292.48	4.27	-61.53
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585074	1	36	0.0	-68.73	286.56	3.87	-64.86
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585075	1	36	0.0	-69.20	286.56	3.89	-65.31
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585075	1	36	0.0	-65.79	293.19	4.29	-61.50
C[C@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004585076	1	35	0.0	-68.42	284.61	3.71	-64.71
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC[NH+](CC1)C2	REAL250004585079	0	37	0.0	-72.36	298.08	3.83	-68.53
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC[NH+](CC1)C2	REAL250004585079	1	37	0.0	-72.27	298.31	3.83	-68.44
CC1=C[NH+]=CN1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585090	1	34	0.0	-69.19	295.46	5.61	-63.58
C[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004585105	1	35	0.0	-68.44	284.96	3.71	-64.73
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585114	0	39	0.0	-76.78	320.58	5.17	-71.61
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585114	1	39	0.0	-76.81	320.62	5.17	-71.64
C[NH+]1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004585130	0	39	0.0	-74.70	311.29	4.97	-69.73
C[NH+]1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004585130	1	39	0.0	-74.69	311.26	4.98	-69.71
CC[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004585134	0	38	0.0	-65.96	295.60	4.38	-61.58
CC[C@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004585135	0	38	0.0	-66.32	296.49	4.34	-61.98
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585176	1	39	0.0	-68.27	299.44	4.73	-63.54
C[N@H+]1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585176	1	39	0.0	-67.72	299.05	4.72	-63.00
CC(CC[NH+](C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585216	0	41	0.0	-70.99	326.99	5.19	-65.80
CC(CC[NH+](C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585216	1	41	0.0	-71.00	327.03	5.19	-65.81
CC(C)(C)[NH2+]CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585267	0	41	0.0	-74.33	326.92	3.62	-70.71
CC(C)(C)[NH2+]CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585267	1	41	0.0	-74.37	326.97	3.60	-70.77
C[NH+](C)CC(O)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585287	0	39	0.0	-75.38	319.41	2.24	-73.14
C[NH+](C)CC(O)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585287	1	39	0.0	-75.43	319.45	2.23	-73.20
CC(C[NH+](C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585288	0	38	0.0	-71.35	305.11	4.56	-66.79
CC(C[NH+](C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585288	1	38	0.0	-71.42	305.16	4.56	-66.86
C[NH+](C)CC=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585289	0	36	0.0	-74.47	303.92	4.57	-69.90
C[NH+](C)CC=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585289	1	36	0.0	-74.55	303.96	4.56	-69.99
C=CCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004585326	0	39	0.0	-68.84	313.97	5.00	-63.84
C[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004585332	0	39	0.0	-70.71	311.28	4.94	-65.77
C[N@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004585332	1	39	0.0	-63.42	305.30	5.12	-58.30
C[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004585332	1	39	0.0	-70.70	311.24	4.94	-65.76
C[N@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004585332	1	39	0.0	-63.11	304.93	5.16	-57.95
C[N@H+]1CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004585348	0	40	0.0	-68.02	325.59	5.64	-62.38
C[N@@H+]1CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004585348	1	40	0.0	-65.89	325.58	5.64	-60.25
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004585638	0	39	0.0	-70.45	316.17	5.05	-65.40
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004585638	1	39	0.0	-70.50	316.21	5.04	-65.46
C#CCCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004585657	0	40	0.0	-76.61	320.19	5.34	-71.27
C#CCCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004585657	1	40	0.0	-76.62	320.25	5.36	-71.26
C#CCC[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004585657	1	40	0.0	-76.61	320.19	5.34	-71.27
C#CCC[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004585657	1	40	0.0	-76.62	320.25	5.36	-71.26
O=C(CCCC[NH+]1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL250004586068	0	45	0.0	-69.37	346.22	5.71	-63.66
O=C(CCCC[NH+]1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586068	1	45	0.0	-69.42	346.27	5.74	-63.68
CC[NH+](CC)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586084	0	38	0.0	-57.76	286.54	3.46	-54.30
C#CC[NH+]1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586091	0	41	0.0	-72.53	320.26	4.98	-67.55
CC(C)[N@H+](C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586094	0	38	0.0	-56.26	289.28	3.58	-52.68
CC(C)[N@@H+](C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586094	1	38	0.0	-55.45	289.29	3.59	-51.86
CC(C)(C)[NH2+]CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586114	0	38	0.0	-56.24	293.76	2.10	-54.14
CC(C)(C)[NH2+]CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586114	1	38	0.0	-56.25	293.82	2.12	-54.13
O=C(CC[NH+]1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586118	1	40	0.0	-66.66	310.17	2.44	-64.22
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586138	1	40	0.0	-63.77	325.86	5.30	-58.47
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586138	1	40	0.0	-63.85	325.92	5.33	-58.52
CC(C(=O)N1CCCC1C1=NN=N[N-]1)[NH+]1C(C)CCC1C	REAL250004586141	0	45	0.0	-55.93	325.08	4.67	-51.26
C[NH+](C)CCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586173	0	41	0.0	-71.23	320.26	4.54	-66.69
C[NH+](C)CCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586173	1	41	0.0	-71.24	320.32	4.56	-66.68
CCCCCC[N@H+](C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586175	0	47	0.0	-59.15	358.59	6.15	-53.00
CCCCCC[N@@H+](C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586175	1	47	0.0	-59.39	358.61	6.16	-53.23
CCC[N@H+](C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586186	0	38	0.0	-58.10	294.11	3.81	-54.29
CCC[N@@H+](C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586186	1	38	0.0	-58.34	294.11	3.82	-54.52
CC(C(=O)N1CCCC1C1=N[N-]N=N1)N1CC[NH+](C)CC1	REAL250004586193	1	44	0.0	-64.59	321.43	1.89	-62.70
CC(C(=O)N1CCCC1C1=NN=N[N-]1)[NH+]1CCCCCC1	REAL250004586219	0	45	0.0	-55.35	322.50	4.81	-50.54
CC[N@@H+]1CCOC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586234	1	40	0.0	-72.35	305.55	3.30	-69.05
CC[N@H+]1CCOC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586234	1	40	0.0	-67.87	298.55	3.17	-64.70
C[N@@H+]1CCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586261	0	36	0.0	-62.58	273.46	2.90	-59.68
C[N@H+]1CCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586261	1	36	0.0	-54.61	273.51	2.91	-51.70
CC1CCC(C)[NH+]1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586280	0	42	0.0	-54.83	311.51	4.28	-50.55
C[NH+]1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004586294	0	39	0.0	-71.38	295.04	3.76	-67.62
C[NH+]1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586294	1	39	0.0	-71.38	295.10	3.79	-67.59
CCC(C(=O)N1CCCC1C1=N[N-]N=N1)[NH+](CC)CC	REAL250004586300	0	44	0.0	-50.01	315.97	4.57	-45.44
CCC(C(=O)N1CCCC1C1=NN=N[N-]1)[NH+](CC)CC	REAL250004586300	1	44	0.0	-50.04	316.03	4.60	-45.44
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586342	0	39	0.0	-58.82	295.40	3.97	-54.85
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586342	1	39	0.0	-57.65	287.08	3.64	-54.01
CC1CC[NH+](CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004586397	0	42	0.0	-58.42	317.45	4.86	-53.56
O=C(C[NH+]1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL250004586473	0	36	0.0	-56.76	279.62	3.48	-53.28
CC(C[NH+]1CCOCC1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586475	1	43	0.0	-65.58	321.85	2.83	-62.75
C[N@H+](CC(=O)N1CCCC1C1=NN=N[N-]1)C1CCSC1	REAL250004586489	0	40	0.0	-61.70	314.22	4.65	-57.05
C[N@@H+](CC(=O)N1CCCC1C1=NN=N[N-]1)C1CCSC1	REAL250004586489	1	40	0.0	-64.23	314.24	4.64	-59.59
CC[N@H+](CC(=O)N1CCCC1C1=NN=N[N-]1)C1CC1	REAL250004586501	0	39	0.0	-54.54	303.55	4.42	-50.12
CC[N@@H+](CC(=O)N1CCCC1C1=NN=N[N-]1)C1CC1	REAL250004586501	1	39	0.0	-56.37	301.75	4.42	-51.95
CCC(C(=O)N1CCCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004586521	0	38	0.0	-57.47	282.67	3.26	-54.21
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586531	1	34	0.0	-74.42	289.76	5.78	-68.64
CC(C(=O)N1CCCC1C1=NN=N[N-]1)[NH+]1CCSCC1	REAL250004586532	1	40	0.0	-57.97	312.67	4.31	-53.66
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586547	0	44	0.0	-56.74	314.19	3.13	-53.61
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586547	1	44	0.0	-56.72	314.24	3.14	-53.58
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL250004586566	1	37	0.0	-68.34	307.64	6.04	-62.30
C=C(C[NH+](C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586695	0	36	0.0	-71.58	285.99	3.42	-68.16
C=C(C[NH+](C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586695	1	36	0.0	-71.59	286.04	3.44	-68.15
O=C(C1CC[NH+](C2CC2)CC1)N1CCCC1C1=N[N-]N=N1	REAL250004586795	0	43	0.0	-70.00	328.62	5.32	-64.68
O=C(C1CC[NH+](C2CC2)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004586795	1	43	0.0	-69.96	328.68	5.34	-64.62
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586871	1	43	0.0	-70.53	322.30	3.81	-66.72
CC(C)[N@H+]1CCOC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004586871	1	43	0.0	-53.78	315.28	3.62	-50.16
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586921	1	34	0.0	-67.91	289.68	5.76	-62.15
CC1=[NH+]C=CN1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004586928	1	34	0.0	-57.57	284.22	3.99	-53.58
CC1=[NH+]C=CN1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004586928	1	34	0.0	-57.57	284.27	4.01	-53.56
CC(C)[NH+]1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587083	0	45	0.0	-69.46	329.98	4.87	-64.59
CC(C)[NH+]1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587083	1	45	0.0	-69.48	330.04	4.89	-64.59
C[N@H+](CC(=O)N1CCCC1C1=NN=N[N-]1)C1CCC1	REAL250004587103	0	39	0.0	-56.11	300.96	4.38	-51.73
C[N@@H+](CC(=O)N1CCCC1C1=NN=N[N-]1)C1CCC1	REAL250004587103	1	39	0.0	-55.58	301.11	4.40	-51.18
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC[N@@H+]1C	REAL250004587189	0	42	0.0	-69.85	307.82	3.95	-65.90
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC[N@H+]1C	REAL250004587189	1	42	0.0	-66.24	311.63	4.41	-61.83
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC[N@@H+]1C	REAL250004587189	1	42	0.0	-69.88	307.76	3.93	-65.95
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC[N@H+]1C	REAL250004587189	1	42	0.0	-66.27	311.57	4.39	-61.88
C[C@@H]1[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC[N@@H+]1C	REAL250004587196	0	39	0.0	-67.53	287.91	3.43	-64.10
C[C@@H]1[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC[N@H+]1C	REAL250004587196	1	39	0.0	-68.19	296.23	3.88	-64.31
C[C@@H]1[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC[N@@H+]1C	REAL250004587196	1	39	0.0	-67.52	287.85	3.40	-64.12
C[C@@H]1[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC[N@H+]1C	REAL250004587196	1	39	0.0	-68.16	296.17	3.86	-64.30
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587226	0	42	0.0	-57.12	315.93	4.08	-53.04
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587226	1	42	0.0	-59.67	315.86	4.10	-55.57
O=C(N1CCCC1C1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL250004587241	0	40	0.0	-66.18	289.28	3.30	-62.88
O=C(N1CCCC1C1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL250004587241	1	40	0.0	-73.97	286.46	3.20	-70.77
O=C(N1CCCC1C1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL250004587241	1	40	0.0	-66.14	289.22	3.28	-62.86
O=C(N1CCCC1C1=N[N-]N=N1)C12CC[N@@H+](C1)CCC2	REAL250004587241	1	40	0.0	-73.94	286.40	3.18	-70.76
C[NH+](C)CC1(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587291	0	39	0.0	-48.36	303.47	4.16	-44.20
C[NH+](C)CC1(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587291	1	39	0.0	-48.41	303.53	4.17	-44.24
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587316	1	40	0.0	-55.59	320.63	5.12	-50.47
O=C(C1C[NH+](C2CCOC2)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587317	1	41	0.0	-67.14	319.63	2.62	-64.52
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587321	0	36	0.0	-58.09	278.32	3.26	-54.83
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587321	1	36	0.0	-54.55	273.51	2.90	-51.65
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587322	0	36	0.0	-62.53	273.39	2.91	-59.62
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587322	1	36	0.0	-56.21	276.97	3.28	-52.93
O=C(N1CCCC1C1=NN=N[N-]1)C12CC[NH+](CC1)C2	REAL250004587324	0	37	0.0	-69.71	279.68	2.63	-67.08
O=C(N1CCCC1C1=N[N-]N=N1)C12CC[NH+](CC1)C2	REAL250004587324	1	37	0.0	-69.70	279.62	2.61	-67.09
O=C(C1CCC2CCCC[N@@H+]21)N1CCCC1C1=NN=N[N-]1	REAL250004587330	0	43	0.0	-56.27	320.47	5.20	-51.07
O=C(C1CCC2CCCC[N@H+]21)N1CCCC1C1=NN=N[N-]1	REAL250004587330	1	43	0.0	-56.10	314.56	4.83	-51.27
CC1=C[NH+]=CN1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587346	1	34	0.0	-57.23	283.57	4.71	-52.52
CC1=C[NH+]=CN1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587346	1	34	0.0	-57.19	283.52	4.68	-52.51
O=C(C1CCCC2CCC[N@@H+]21)N1CCCC1C1=NN=N[N-]1	REAL250004587372	0	43	0.0	-53.16	314.88	4.94	-48.22
O=C(C1CCCC2CCC[N@H+]21)N1CCCC1C1=NN=N[N-]1	REAL250004587372	1	43	0.0	-58.92	307.24	4.56	-54.36
CC1C[N@H+](C)CC(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587373	1	40	0.0	-76.42	301.68	2.95	-73.47
CC1C[N@@H+](C)CC(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587373	1	40	0.0	-69.85	302.05	3.24	-66.61
C[N@@H+]1CCCC1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587375	0	42	0.0	-66.43	316.58	4.42	-62.01
C[N@H+]1CCCC1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587375	1	42	0.0	-66.15	316.74	4.43	-61.72
C[N@@H+]1CCCC1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587375	1	42	0.0	-66.43	316.64	4.45	-61.98
C[N@H+]1CCCC1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587375	1	42	0.0	-66.20	316.80	4.45	-61.75
C[N@H+](CC(=O)N1CCCC1C1=N[N-]N=N1)CC(C)(C)C	REAL250004587382	0	44	0.0	-58.11	324.95	4.95	-53.16
C[N@@H+](CC(=O)N1CCCC1C1=N[N-]N=N1)CC(C)(C)C	REAL250004587382	1	44	0.0	-57.55	324.59	4.93	-52.62
C[N@H+](CC(=O)N1CCCC1C1=NN=N[N-]1)CC(C)(C)C	REAL250004587382	1	44	0.0	-58.11	325.01	4.97	-53.14
C[N@@H+](CC(=O)N1CCCC1C1=NN=N[N-]1)CC(C)(C)C	REAL250004587382	1	44	0.0	-57.54	324.65	4.95	-52.59
C=C(CC[NH+](C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587387	0	39	0.0	-61.14	312.58	4.10	-57.04
C=C(CC[NH+](C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587387	1	39	0.0	-61.16	312.63	4.12	-57.04
C[NH+]1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587424	0	39	0.0	-71.38	295.04	3.76	-67.62
C[NH+]1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587424	1	39	0.0	-71.38	295.10	3.79	-67.59
CC[C@@H](C(=O)N1CCCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004587430	0	38	0.0	-57.53	282.65	3.44	-54.09
CC[C@H](C(=O)N1CCCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004587432	0	38	0.0	-55.24	284.25	3.46	-51.78
CN1CC[N@H+](C)CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587433	0	44	0.0	-60.17	325.49	2.29	-57.88
CN1CC[N@@H+](C)CC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587433	1	44	0.0	-63.53	325.64	2.27	-61.26
CN1CC[N@H+](C)CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587433	1	44	0.0	-60.10	325.43	2.27	-57.83
CN1CC[N@@H+](C)CC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587433	1	44	0.0	-63.51	325.58	2.26	-61.25
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587447	1	38	0.0	-58.43	303.48	2.97	-55.46
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587463	0	43	0.0	-61.25	315.06	2.54	-58.71
C[N@H+]1CCCC(O)(CC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587463	1	43	0.0	-54.37	325.47	2.77	-51.60
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587463	1	43	0.0	-61.27	315.12	2.56	-58.71
C[N@H+]1CCCC(O)(CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587463	1	43	0.0	-54.39	325.53	2.79	-51.60
C[N@@H+]1CCCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587502	0	39	0.0	-53.83	295.30	3.92	-49.91
C[N@H+]1CCCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587502	1	39	0.0	-60.87	283.71	3.48	-57.39
CC[N@@H+]1CCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587580	1	36	0.0	-60.44	285.61	3.30	-57.14
CC[N@H+]1CCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587580	1	36	0.0	-56.24	276.80	2.90	-53.34
O=C(CC[N@H+]1CCC(F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587586	0	39	0.0	-69.80	309.07	4.24	-65.56
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC1C1=NN=N[N-]1	REAL250004587586	1	39	0.0	-67.47	308.95	4.19	-63.28
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL250004587589	1	39	0.0	-80.52	316.46	4.28	-76.24
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587590	0	45	0.0	-52.65	323.98	4.98	-47.67
CC(C)[N@H+]1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587590	1	45	0.0	-63.39	329.40	4.92	-58.47
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587590	1	45	0.0	-52.66	323.92	4.96	-47.70
CC(C)[N@H+]1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587590	1	45	0.0	-63.35	329.34	4.89	-58.46
CCC[N@@H+]1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587591	0	45	0.0	-52.75	328.10	5.32	-47.43
CCC[N@H+]1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587591	1	45	0.0	-53.01	328.82	5.20	-47.81
CCC[N@@H+]1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587591	1	45	0.0	-52.76	328.04	5.29	-47.47
CCC[N@H+]1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587591	1	45	0.0	-52.98	328.76	5.19	-47.79
CC(CC[NH+](C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587592	0	41	0.0	-65.72	316.11	4.19	-61.53
CC(CC[NH+](C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587592	1	41	0.0	-65.72	316.17	4.21	-61.51
C[N@H+](CC(=O)N1CCCC1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL250004587621	0	43	0.0	-53.63	325.87	1.61	-52.02
C[N@@H+](CC(=O)N1CCCC1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL250004587621	1	43	0.0	-55.64	325.79	1.80	-53.84
O=C(C[NH+]1CCC(CO)CC1)N1CCCC1C1=NN=N[N-]1	REAL250004587635	1	43	0.0	-62.84	328.30	1.57	-61.27
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587640	0	42	0.0	-74.69	303.79	1.03	-73.66
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587640	1	42	0.0	-67.62	302.60	0.99	-66.63
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587640	1	42	0.0	-74.65	303.74	1.00	-73.65
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587640	1	42	0.0	-67.62	302.55	0.99	-66.63
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587681	0	42	0.0	-55.72	312.35	4.37	-51.35
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587681	1	42	0.0	-56.45	312.87	4.32	-52.13
CC(C)(C)[NH2+]CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587688	0	41	0.0	-66.81	315.35	2.72	-64.09
CC(C)(C)[NH2+]CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587688	1	41	0.0	-66.89	315.40	2.74	-64.15
C[NH+]1CCC(OCC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587696	0	43	0.0	-77.10	334.76	4.53	-72.57
C[NH+]1CCC(OCC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587696	1	43	0.0	-77.11	334.82	4.55	-72.56
C[NH+](C)CC(O)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587718	0	39	0.0	-71.58	307.60	1.39	-70.19
C[NH+](C)CC(O)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587718	1	39	0.0	-71.60	307.66	1.41	-70.19
CC(C[NH+](C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587720	0	38	0.0	-63.46	294.46	3.57	-59.89
CC(C[NH+](C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587720	1	38	0.0	-63.46	294.51	3.58	-59.88
C[NH+](C)CC=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004587722	0	36	0.0	-72.60	289.87	3.57	-69.03
C[NH+](C)CC=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004587722	1	36	0.0	-72.58	289.93	3.60	-68.98
C=CCC(C(=O)N1CCCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004587790	0	39	0.0	-56.63	297.32	3.82	-52.81
C[N@@H+]1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587797	0	39	0.0	-51.99	289.05	3.93	-48.06
C[N@H+]1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004587797	1	39	0.0	-65.40	299.45	3.90	-61.50
C[N@@H+]1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587797	1	39	0.0	-51.99	288.99	3.90	-48.09
C[N@H+]1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004587797	1	39	0.0	-65.36	299.39	3.88	-61.48
C[N@H+]1CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587823	0	40	0.0	-64.60	313.95	4.73	-59.87
C[N@@H+]1CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004587823	1	40	0.0	-61.29	313.96	4.73	-56.56
C[N@H+]1CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587823	1	40	0.0	-64.56	314.01	4.76	-59.80
C[N@@H+]1CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004587823	1	40	0.0	-61.28	314.02	4.76	-56.52
O=C(C1CC[N@@H+]2CCOCC12)N1CCCC1C1=NN=N[N-]1	REAL250004587880	0	41	0.0	-71.71	310.72	2.60	-69.11
O=C(C1CC[N@H+]2CCOCC12)N1CCCC1C1=NN=N[N-]1	REAL250004587880	1	41	0.0	-68.69	311.94	2.57	-66.12
O=C(C1CC[N@@H+]2CCOCC12)N1CCCC1C1=N[N-]N=N1	REAL250004587880	1	41	0.0	-71.67	310.66	2.57	-69.10
O=C(C1CC[N@H+]2CCOCC12)N1CCCC1C1=N[N-]N=N1	REAL250004587880	1	41	0.0	-68.69	311.88	2.54	-66.15
C[NH+](C)CCSCC(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588052	0	39	0.0	-74.51	321.79	4.35	-70.16
C[NH+](C)CCSCC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588052	1	39	0.0	-74.46	321.85	4.38	-70.08
O=C(N1CCCC1C1=NN=N[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL250004588054	0	41	0.0	-61.94	309.40	4.87	-57.07
O=C(N1CCCC1C1=NN=N[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL250004588054	1	41	0.0	-64.93	311.13	5.00	-59.93
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CN21	REAL250004588068	0	37	0.0	-64.27	311.06	5.52	-58.75
CC[N@@H+]1CCOCC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588076	1	43	0.0	-63.35	318.30	2.73	-60.62
CC[N@H+]1CCOCC1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588076	1	43	0.0	-67.14	322.92	2.92	-64.22
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588326	0	39	0.0	-64.16	304.05	4.10	-60.06
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588326	1	39	0.0	-64.16	304.10	4.13	-60.03
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL250004588333	0	45	0.0	-52.12	322.82	4.77	-47.35
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL250004588333	1	45	0.0	-52.09	322.87	4.79	-47.30
CC[N@@H+]1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588358	0	42	0.0	-52.68	306.59	4.57	-48.11
CC[N@H+]1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL250004588358	1	42	0.0	-56.68	306.49	4.39	-52.29
CC[N@@H+]1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588358	1	42	0.0	-52.63	306.53	4.55	-48.08
CC[N@H+]1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL250004588358	1	42	0.0	-56.65	306.43	4.37	-52.28
CC(C)(O)C[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588388	0	45	0.0	-73.34	338.07	2.77	-70.57
CC(C)(O)C[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588388	1	45	0.0	-73.34	338.13	2.78	-70.56
C[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588411	0	41	0.0	-72.80	320.15	3.71	-69.09
C[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588411	1	41	0.0	-72.81	320.21	3.73	-69.08
C[NH+]1CCC(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588455	0	44	0.0	-70.22	340.38	4.25	-65.97
C[NH+]1CCC(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588455	1	44	0.0	-70.27	340.44	4.27	-66.00
C[NH+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004588477	0	38	0.0	-71.93	300.27	3.97	-67.96
C[NH+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004588477	1	38	0.0	-71.92	300.33	3.99	-67.93
C[NH+](C)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004588478	0	38	0.0	-62.40	307.20	4.14	-58.26
C[NH+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004588478	1	38	0.0	-62.28	307.27	4.14	-58.14
CC(C)[N@@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588486	0	44	0.0	-67.23	322.18	5.66	-61.57
CC(C)[N@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588486	1	44	0.0	-66.58	321.93	5.69	-60.89
CC(C)[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588486	1	44	0.0	-67.27	322.23	5.68	-61.59
CC(C)[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588486	1	44	0.0	-66.67	321.99	5.71	-60.96
O=C(CCCC1=N[N-]N=N1)N1CCC([NH+]2CCCC2)C1	REAL250004588488	0	42	0.0	-69.82	326.83	5.18	-64.64
O=C(CCCC1=NN=N[N-]1)N1CCC([NH+]2CCCC2)C1	REAL250004588488	1	42	0.0	-69.84	326.89	5.19	-64.65
CC[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004588496	0	41	0.0	-66.58	325.56	3.78	-62.80
CC[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004588496	1	41	0.0	-68.27	321.66	3.69	-64.58
CC[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004588496	1	41	0.0	-66.58	325.62	3.80	-62.78
CC[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004588496	1	41	0.0	-68.27	321.71	3.70	-64.57
COCC[N@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004588499	0	41	0.0	-69.80	327.44	1.58	-68.22
COCC[N@@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004588499	1	41	0.0	-70.13	327.46	1.59	-68.54
COCC[N@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004588499	1	41	0.0	-69.83	327.50	1.60	-68.23
COCC[N@@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004588499	1	41	0.0	-70.14	327.52	1.61	-68.53
CC[NH+]1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588500	0	44	0.0	-69.75	331.33	5.44	-64.31
CC[NH+]1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588500	1	44	0.0	-69.79	331.39	5.45	-64.34
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+](C)C1CC1	REAL250004588505	0	41	0.0	-68.74	317.62	3.72	-65.02
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+](C)C1CC1	REAL250004588505	1	41	0.0	-66.93	317.68	3.72	-63.21
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@H+](C)C1CC1	REAL250004588505	1	41	0.0	-68.80	317.67	3.73	-65.07
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+](C)C1CC1	REAL250004588505	1	41	0.0	-66.93	317.73	3.73	-63.20
C[NH+](C)CC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004588529	0	44	0.0	-58.11	321.40	5.12	-52.99
C[NH+](C)CC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004588529	1	44	0.0	-58.10	321.46	5.14	-52.96
CCC(C)[N@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004588533	0	43	0.0	-68.11	329.80	3.57	-64.54
CCC(C)[N@@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004588533	1	43	0.0	-67.31	326.71	3.52	-63.79
CCC(C)[N@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004588533	1	43	0.0	-68.14	329.86	3.58	-64.56
CCC(C)[N@@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004588533	1	43	0.0	-67.33	326.76	3.54	-63.79
CCC[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588534	0	41	0.0	-72.62	314.87	4.85	-67.77
CCC[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588534	1	41	0.0	-72.63	314.93	4.87	-67.76
CN(CC[NH+]1CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004588548	0	41	0.0	-63.22	320.91	5.04	-58.18
CN(CC[NH+]1CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004588548	1	41	0.0	-63.25	320.97	5.06	-58.19
C[NH+](C)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004588564	0	41	0.0	-66.89	310.29	4.60	-62.29
C[NH+](C)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004588564	1	41	0.0	-66.91	310.34	4.61	-62.30
CCC[NH+](CCC)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004588565	0	49	0.0	-71.21	377.32	5.40	-65.81
CCC[NH+](CCC)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004588565	1	49	0.0	-71.24	377.38	5.41	-65.83
CC(C)C[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004588572	0	47	0.0	-68.86	356.82	5.10	-63.76
CC(C)C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004588572	1	47	0.0	-68.93	356.88	5.11	-63.82
O=C(NCC1=NN=N[N-]1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL250004589632	0	39	0.0	-45.25	309.53	3.78	-41.47
O=C(NCC1=NN=N[N-]1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL250004589632	1	39	0.0	-48.28	317.07	4.37	-43.91
O=C(CCCC[NH+]1CCCC1)NCC1=N[N-]N=N1	REAL250004589655	0	38	0.0	-56.55	303.09	2.98	-53.57
O=C(CCCC[NH+]1CCCC1)NCC1=NN=N[N-]1	REAL250004589655	1	38	0.0	-56.57	303.14	2.99	-53.58
C[N@H+](CC(=O)NCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004589682	1	35	0.0	-52.52	288.47	3.27	-49.25
C[N@@H+](CC(=O)NCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004589682	1	35	0.0	-52.55	288.48	3.27	-49.28
CC(C)C(C(=O)NCC1=NN=N[N-]1)[NH+]1CC(C)OC(C)C1	REAL250004589692	1	45	0.0	-46.38	329.15	2.73	-43.65
CCC[N@@H+]1CCCCC1C(=O)NCC1=NN=N[N-]1	REAL250004589694	0	38	0.0	-45.25	293.10	2.66	-42.59
CCC[N@H+]1CCCCC1C(=O)NCC1=NN=N[N-]1	REAL250004589694	1	38	0.0	-45.24	293.09	2.66	-42.58
CC(C)C(C(=O)NCC1=NN=N[N-]1)[NH+]1CCCCC1	REAL250004589695	0	41	0.0	-43.44	300.86	3.14	-40.30
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NN=N[N-]2)O1	REAL250004589772	0	38	0.0	-58.05	307.64	2.56	-55.49
C[NH+](C)C(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004589789	1	35	0.0	-46.90	286.47	3.16	-43.74
CC(C(=O)NCC1=NN=N[N-]1)[NH+]1C(C)CCC1C	REAL250004589840	0	38	0.0	-43.49	282.50	2.02	-41.47
CC[NH+](CC)C(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004589869	0	41	0.0	-45.67	310.52	4.01	-41.66
CCC[NH+](CCC)CCCC(=O)NCC1=N[N-]N=N1	REAL250004589887	0	43	0.0	-55.30	334.32	3.88	-51.42
CCC[NH+](CCC)CCCC(=O)NCC1=NN=N[N-]1	REAL250004589887	1	43	0.0	-55.31	334.37	3.90	-51.41
CC[N@H+](C)C(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004589888	1	38	0.0	-44.67	305.24	3.80	-40.87
CC[N@@H+](C)C(C(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004589888	1	38	0.0	-45.17	305.03	3.78	-41.39
C[NH+](C)CCN1CC(C(=O)NCC2=N[N-]N=N2)CC1=O	REAL250004589931	0	39	0.0	-59.55	318.51	1.10	-58.45
C[NH+](C)CCN1CC(C(=O)NCC2=NN=N[N-]2)CC1=O	REAL250004589931	1	39	0.0	-59.58	318.57	1.11	-58.47
CCCCCC[N@H+](C)CC(=O)NCC1=NN=N[N-]1	REAL250004589936	0	40	0.0	-50.52	315.54	3.42	-47.10
CCCCCC[N@@H+](C)CC(=O)NCC1=NN=N[N-]1	REAL250004589936	1	40	0.0	-50.49	315.54	3.43	-47.06
C[NH+](C)C(C(=O)NCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL250004589946	1	35	0.0	-49.76	303.28	3.67	-46.09
CC(C(=O)NCC1=N[N-]N=N1)N1CC[NH+](C)CC1	REAL250004589962	1	37	0.0	-56.61	285.02	-0.50	-57.11
CC(C(=O)NCC1=NN=N[N-]1)N1CC[NH+](C)CC1	REAL250004589962	1	37	0.0	-56.59	285.07	-0.49	-57.08
CC(C(=O)NCC1=NN=N[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL250004589970	1	39	0.0	-48.95	306.84	4.23	-44.72
CC(C(=O)NCC1=NN=N[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL250004589970	1	39	0.0	-49.00	306.85	4.23	-44.77
CC(C(=O)NCC1=NN=N[N-]1)[NH+]1CCCCCC1	REAL250004590007	0	38	0.0	-47.59	276.31	2.35	-45.24
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=N[N-]N=N1	REAL250004590023	1	36	0.0	-47.79	297.17	2.82	-44.97
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=NN=N[N-]1	REAL250004590023	1	36	0.0	-47.80	297.23	2.83	-44.97
O=C(NCC1=NN=N[N-]1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL250004590040	0	35	0.0	-61.51	301.06	2.30	-59.21
O=C(NCC1=N[N-]N=N1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL250004590040	1	35	0.0	-61.51	301.01	2.28	-59.23
CC(C(=O)NCC1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL250004590103	1	38	0.0	-49.21	306.56	3.66	-45.55
CC(C(=O)NCC1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL250004590103	1	38	0.0	-48.45	306.70	3.68	-44.77
C[NH+](C)CC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004590141	0	35	0.0	-61.34	289.92	3.15	-58.19
C[NH+](C)CC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004590141	1	35	0.0	-61.36	289.98	3.16	-58.20
CC[NH+]1CCN(CCC(=O)NCC2=N[N-]N=N2)CC1	REAL250004590142	0	40	0.0	-56.58	309.86	0.28	-56.30
CC[NH+]1CCN(CCC(=O)NCC2=NN=N[N-]2)CC1	REAL250004590142	1	40	0.0	-56.58	309.92	0.30	-56.28
CCN1CC[NH+](CCC(=O)NCC2=NN=N[N-]2)CC1	REAL250004590142	1	40	0.0	-53.59	310.42	0.33	-53.26
CC[NH+](CC)CCSCC(=O)NCC1=N[N-]N=N1	REAL250004590157	0	38	0.0	-57.73	314.36	2.97	-54.76
CC[NH+](CC)CCSCC(=O)NCC1=NN=N[N-]1	REAL250004590157	1	38	0.0	-57.75	314.41	2.99	-54.76
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1=NN=N[N-]1	REAL250004590163	0	43	0.0	-54.13	304.74	1.34	-52.79
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1=N[N-]N=N1	REAL250004590163	1	43	0.0	-54.13	304.68	1.33	-52.80
O=C(NCC1=NN=N[N-]1)C1CC[N@@H+](C2CCCCC2)C1	REAL250004590253	0	42	0.0	-51.10	317.30	3.59	-47.51
O=C(NCC1=NN=N[N-]1)C1CC[N@H+](C2CCCCC2)C1	REAL250004590253	1	42	0.0	-52.98	317.15	3.55	-49.43
O=C(NCC1=N[N-]N=N1)C1CC[N@@H+](C2CCCCC2)C1	REAL250004590253	1	42	0.0	-51.10	317.25	3.57	-47.53
O=C(NCC1=N[N-]N=N1)C1CC[N@H+](C2CCCCC2)C1	REAL250004590253	1	42	0.0	-52.99	317.09	3.54	-49.45
C[NH+](C)CC1=C(C(=O)NCC2=N[N-]N=N2)SC=C1	REAL250004590355	0	32	0.0	-47.74	277.37	2.25	-45.49
C[NH+](C)CC1=C(C(=O)NCC2=NN=N[N-]2)SC=C1	REAL250004590355	1	32	0.0	-47.73	277.43	2.26	-45.47
CC(C[NH+]1CCOCC1)C(=O)NCC1=NN=N[N-]1	REAL250004590497	0	36	0.0	-54.32	283.12	0.40	-53.92
CC(C[NH+]1CCOCC1)C(=O)NCC1=N[N-]N=N1	REAL250004590497	1	36	0.0	-54.32	283.06	0.38	-53.94
C[N@H+](CC(=O)NCC1=NN=N[N-]1)C1CCSC1	REAL250004590519	0	33	0.0	-53.48	271.02	1.92	-51.56
C[N@@H+](CC(=O)NCC1=NN=N[N-]1)C1CCSC1	REAL250004590519	1	33	0.0	-53.71	271.15	1.90	-51.81
O=C(NCC1=NN=N[N-]1)C1CCC[N@@H+]1C1CCCC1	REAL250004590551	0	39	0.0	-45.78	299.05	3.30	-42.48
O=C(NCC1=NN=N[N-]1)C1CCC[N@H+]1C1CCCC1	REAL250004590551	1	39	0.0	-46.84	297.77	3.06	-43.78
CC1=C(C(=O)NCC2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL250004590628	1	30	0.0	-55.70	255.90	3.54	-52.16
C[NH+](C)CC1(C(=O)NCC2=N[N-]N=N2)CCCCC1	REAL250004590775	0	41	0.0	-50.49	296.14	3.31	-47.18
C[NH+](C)CC1(C(=O)NCC2=NN=N[N-]2)CCCCC1	REAL250004590775	1	41	0.0	-50.46	296.20	3.33	-47.13
C[N@H+](CCC(=O)NCC1=N[N-]N=N1)C1CCCCC1	REAL250004590781	0	41	0.0	-53.63	310.17	3.24	-50.39
C[N@@H+](CCC(=O)NCC1=N[N-]N=N1)C1CCCCC1	REAL250004590781	1	41	0.0	-53.62	310.17	3.24	-50.38
C[N@H+](CCC(=O)NCC1=NN=N[N-]1)C1CCCCC1	REAL250004590781	1	41	0.0	-53.65	310.22	3.27	-50.38
C[N@@H+](CCC(=O)NCC1=NN=N[N-]1)C1CCCCC1	REAL250004590781	1	41	0.0	-53.63	310.23	3.27	-50.36
C[NH+](C)C(CC(=O)NCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004590864	0	38	0.0	-47.00	299.48	3.55	-43.45
C[NH+](C)C(CC(=O)NCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004590864	1	38	0.0	-46.97	299.53	3.57	-43.40
O=C(NCC1=NN=N[N-]1)C1CCCC[N@@H+]1C1CCCC1	REAL250004590872	0	42	0.0	-43.94	308.69	3.44	-40.50
O=C(NCC1=NN=N[N-]1)C1CCCC[N@H+]1C1CCCC1	REAL250004590872	1	42	0.0	-43.97	309.37	3.49	-40.48
O=C(CCCC[NH+]1CCOCC1)NCC1=N[N-]N=N1	REAL250004590923	1	39	0.0	-59.56	310.02	1.25	-58.31
O=C(CCCC[NH+]1CCOCC1)NCC1=NN=N[N-]1	REAL250004590923	1	39	0.0	-59.60	310.08	1.27	-58.33
O=C(NCC1=N[N-]N=N1)C1CC[NH+](C2CC2)CC1	REAL250004591057	0	36	0.0	-53.93	281.17	2.52	-51.41
O=C(NCC1=NN=N[N-]1)C1CC[NH+](C2CC2)CC1	REAL250004591057	1	36	0.0	-53.91	281.23	2.53	-51.38
O=C(NCC1=N[N-]N=N1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL250004591190	0	39	0.0	-62.69	314.72	4.30	-58.39
O=C(NCC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL250004591190	1	39	0.0	-62.66	314.78	4.31	-58.35
CC(C)[N@@H+]1CCOC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004591192	0	36	0.0	-47.11	276.63	1.13	-45.98
CC(C)[N@H+]1CCOC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004591192	1	36	0.0	-47.12	276.66	1.14	-45.98
CC(C)[N@@H+]1CCOC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004591192	1	36	0.0	-47.13	276.57	1.11	-46.02
CC(C)[N@H+]1CCOC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004591192	1	36	0.0	-47.10	276.61	1.11	-45.99
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591203	0	41	0.0	-61.71	319.74	4.18	-57.53
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591203	1	41	0.0	-61.71	319.79	4.19	-57.52
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591218	0	35	0.0	-46.41	282.64	3.37	-43.04
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591218	1	35	0.0	-46.42	282.70	3.39	-43.03
CC1=[NH+]C=C2CCC(C(=O)NCC3=N[N-]N=N3)CN21	REAL250004591266	1	34	0.0	-48.12	279.39	2.40	-45.72
CC1=[NH+]C=C2CCC(C(=O)NCC3=NN=N[N-]3)CN21	REAL250004591266	1	34	0.0	-48.13	279.45	2.41	-45.72
C[NH+](C)CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004591296	0	34	0.0	-61.20	285.77	1.68	-59.52
C[NH+](C)CCC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004591409	0	38	0.0	-65.93	312.40	4.00	-61.93
C[NH+](C)CCC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004591409	1	38	0.0	-65.92	312.46	4.01	-61.91
O=C(NCC1=NN=N[N-]1)C1=NOC(C[NH+]2CCCC2)=C1	REAL250004591435	1	35	0.0	-64.43	295.23	1.76	-62.67
O=C(NCC1=N[N-]N=N1)C1CC[NH+](C2CCSC2)CC1	REAL250004591526	0	40	0.0	-61.31	315.58	3.54	-57.77
O=C(NCC1=NN=N[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL250004591526	1	40	0.0	-61.27	315.64	3.56	-57.71
O=C(NCC1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL250004591530	0	39	0.0	-54.18	314.93	4.05	-50.13
O=C(NCC1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL250004591530	1	39	0.0	-54.50	316.29	4.16	-50.34
O=C(NCC1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL250004591530	1	39	0.0	-54.20	314.87	4.04	-50.16
O=C(NCC1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL250004591530	1	39	0.0	-54.49	316.24	4.15	-50.34
CC(C)[NH+]1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004591544	0	38	0.0	-53.97	287.01	2.27	-51.70
CC(C)[NH+]1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004591544	1	38	0.0	-53.99	287.07	2.28	-51.71
O=C(NCC1=NN=N[N-]1)C1C[NH+](C2CCCCC2)C1	REAL250004591590	0	39	0.0	-52.48	303.79	3.03	-49.45
O=C(NCC1=N[N-]N=N1)C1C[NH+](C2CCCCC2)C1	REAL250004591590	1	39	0.0	-52.43	303.73	3.01	-49.42
C[N@@H+]1C[C@H](C(=O)NCC2=NN=N[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL250004591593	0	39	0.0	-58.36	315.99	3.95	-54.41
C[N@H+]1C[C@H](C(=O)NCC2=NN=N[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL250004591593	1	39	0.0	-54.20	315.19	4.03	-50.17
C[N@@H+]1C[C@H](C(=O)NCC2=N[N-]N=N2)[C@@H](C2=CC=CC=C2)C1	REAL250004591593	1	39	0.0	-58.36	315.93	3.93	-54.43
C[N@H+]1C[C@H](C(=O)NCC2=N[N-]N=N2)[C@@H](C2=CC=CC=C2)C1	REAL250004591593	1	39	0.0	-54.24	315.13	4.02	-50.22
CC(C)[NH+]1CCN(CCC(=O)NCC2=N[N-]N=N2)CC1	REAL250004591594	0	43	0.0	-54.80	327.11	0.84	-53.96
CC(C)[NH+]1CCN(CCC(=O)NCC2=NN=N[N-]2)CC1	REAL250004591594	1	43	0.0	-54.79	327.17	0.85	-53.94
CC(C)[NH+]1CCN(CCCC(=O)NCC2=N[N-]N=N2)CC1	REAL250004591596	0	46	0.0	-55.15	348.61	1.64	-53.51
CC(C)[NH+]1CCN(CCCC(=O)NCC2=NN=N[N-]2)CC1	REAL250004591596	1	46	0.0	-55.16	348.66	1.66	-53.50
C[NH+](C)CCN1C=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004591611	0	35	0.0	-65.07	296.13	1.16	-63.91
C[NH+](C)CCN1C=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004591611	1	35	0.0	-65.06	296.07	1.15	-63.91
C[NH+](C)CCN1C=CC(C(=O)NCC2=NN=N[N-]2)=N1	REAL250004591689	0	35	0.0	-65.51	296.50	1.18	-64.33
C[NH+](C)CCN1C=CC(C(=O)NCC2=N[N-]N=N2)=N1	REAL250004591689	1	35	0.0	-65.51	296.45	1.16	-64.35
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004591690	0	35	0.0	-51.49	291.58	1.14	-50.35
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004591690	1	35	0.0	-51.48	291.52	1.13	-50.35
C[N@@H+]1CC[C@H](C(=O)NCC2=NN=N[N-]2)[C@@H]1C1=CC=CC=C1	REAL250004591736	0	39	0.0	-56.63	294.15	3.61	-53.02
C[N@H+]1CC[C@H](C(=O)NCC2=NN=N[N-]2)[C@@H]1C1=CC=CC=C1	REAL250004591736	1	39	0.0	-55.20	309.75	4.01	-51.19
C[N@@H+]1CC[C@H](C(=O)NCC2=N[N-]N=N2)[C@@H]1C1=CC=CC=C1	REAL250004591736	1	39	0.0	-56.64	294.10	3.60	-53.04
C[N@H+]1CC[C@H](C(=O)NCC2=N[N-]N=N2)[C@@H]1C1=CC=CC=C1	REAL250004591736	1	39	0.0	-55.19	309.69	4.00	-51.19
O=C(NCC1=NN=N[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL250004591737	0	35	0.0	-57.50	286.55	0.12	-57.38
O=C(NCC1=N[N-]N=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL250004591737	1	35	0.0	-57.49	286.49	0.11	-57.38
C[NH+](C)C(C(=O)NCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004591780	1	35	0.0	-49.66	303.27	3.68	-45.98
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=N[N-]N=N1	REAL250004591824	1	36	0.0	-48.16	297.71	2.87	-45.29
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=NN=N[N-]1	REAL250004591824	1	36	0.0	-48.11	297.77	2.88	-45.23
O=C(NCC1=NN=N[N-]1)C1CC[N@@H+]1C1CCCC1	REAL250004591872	0	36	0.0	-49.42	283.81	2.60	-46.82
O=C(NCC1=NN=N[N-]1)C1CC[N@H+]1C1CCCC1	REAL250004591872	1	36	0.0	-47.96	280.47	2.36	-45.60
O=C(NCC1=N[N-]N=N1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL250004591914	0	36	0.0	-54.37	300.63	1.94	-52.43
O=C(NCC1=NN=N[N-]1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL250004591914	1	36	0.0	-54.36	300.69	1.95	-52.41
O=C(NCC1=NN=N[N-]1)C1C[NH+](C2CCOC2)C1	REAL250004591950	0	34	0.0	-56.04	278.52	0.04	-56.00
O=C(NCC1=NN=N[N-]1)C12CCC[NH+](CCC1)C2	REAL250004591953	0	36	0.0	-56.57	269.21	1.88	-54.69
O=C(NCC1=N[N-]N=N1)C12CCC[NH+](CCC1)C2	REAL250004591953	1	36	0.0	-56.50	269.15	1.86	-54.64
O=C(NCC1=NN=N[N-]1)C1C[NH+](C2CCOCC2)C1	REAL250004591958	0	37	0.0	-54.56	295.01	0.63	-53.93
O=C(NCC1=N[N-]N=N1)C1C[NH+](C2CCOCC2)C1	REAL250004591958	1	37	0.0	-54.56	294.95	0.61	-53.95
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=NN=N[N-]1	REAL250004591962	1	38	0.0	-53.12	310.95	4.10	-49.02
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=NN=N[N-]1	REAL250004591962	1	38	0.0	-53.12	310.95	4.11	-49.01
COCCOCC[N@H+](C)CCC(=O)NCC1=N[N-]N=N1	REAL250004591963	0	42	0.0	-54.22	339.89	0.29	-53.93
COCCOCC[N@@H+](C)CCC(=O)NCC1=N[N-]N=N1	REAL250004591963	1	42	0.0	-55.25	339.94	0.28	-54.97
COCCOCC[N@H+](C)CCC(=O)NCC1=NN=N[N-]1	REAL250004591963	1	42	0.0	-54.22	339.95	0.30	-53.92
COCCOCC[N@@H+](C)CCC(=O)NCC1=NN=N[N-]1	REAL250004591963	1	42	0.0	-55.27	339.99	0.29	-54.98
O=C(NCC1=NN=N[N-]1)C1CCC2CCCC[N@@H+]21	REAL250004591976	0	36	0.0	-45.44	273.64	2.16	-43.28
O=C(NCC1=NN=N[N-]1)C1CCC2CCCC[N@H+]21	REAL250004591976	1	36	0.0	-44.03	279.67	2.61	-41.42
O=C(NCC1=NN=N[N-]1)C1CCCC2CCC[N@@H+]21	REAL250004592058	0	36	0.0	-43.04	276.40	2.50	-40.54
O=C(NCC1=NN=N[N-]1)C1CCCC2CCC[N@H+]21	REAL250004592058	1	36	0.0	-43.04	276.37	2.49	-40.55
CC(C)(C(=O)NCC1=NN=N[N-]1)[NH+]1CCCCC1	REAL250004592114	0	38	0.0	-43.77	281.17	2.65	-41.12
CCOC(=O)C1CCC[N@H+](CC(=O)NCC2=NN=N[N-]2)C1	REAL250004592124	1	41	0.0	-51.32	330.14	3.07	-48.25
CCOC(=O)C1CCC[N@@H+](CC(=O)NCC2=NN=N[N-]2)C1	REAL250004592124	1	41	0.0	-51.32	330.11	3.07	-48.25
O=C(NCC1=N[N-]N=N1)C1CCC([NH+]2CCOCC2)CC1	REAL250004592126	0	43	0.0	-59.61	323.49	1.95	-57.66
O=C(NCC1=NN=N[N-]1)C1CCC([NH+]2CCOCC2)CC1	REAL250004592126	1	43	0.0	-59.60	323.54	1.96	-57.64
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=NN=N[N-]1	REAL250004592132	0	39	0.0	-50.79	292.62	0.75	-50.04
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=N[N-]N=N1	REAL250004592132	1	39	0.0	-50.80	292.56	0.74	-50.06
CN1CC[N@H+](C)CC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004592133	0	37	0.0	-53.01	282.13	-0.19	-53.20
CN1CC[N@@H+](C)CC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004592133	1	37	0.0	-53.00	282.15	-0.19	-53.19
CN1CC[N@H+](C)CC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004592133	1	37	0.0	-53.01	282.07	-0.21	-53.22
CN1CC[N@@H+](C)CC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004592133	1	37	0.0	-52.99	282.09	-0.20	-53.19
C[N@@H+]1CCCC(O)(CC(=O)NCC2=N[N-]N=N2)C1	REAL250004592195	0	36	0.0	-53.88	279.20	0.12	-53.76
C[N@H+]1CCCC(O)(CC(=O)NCC2=N[N-]N=N2)C1	REAL250004592195	1	36	0.0	-50.17	282.08	0.01	-50.16
C[N@@H+]1CCCC(O)(CC(=O)NCC2=NN=N[N-]2)C1	REAL250004592195	1	36	0.0	-53.85	279.26	0.13	-53.72
C[N@H+]1CCCC(O)(CC(=O)NCC2=NN=N[N-]2)C1	REAL250004592195	1	36	0.0	-50.16	282.14	0.03	-50.13
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592442	0	38	0.0	-63.10	312.40	3.99	-59.11
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592442	1	38	0.0	-63.10	312.46	4.00	-59.10
C[NH+](C)CC1=CC=C(C(=O)NCC2=NN=N[N-]2)O1	REAL250004592451	1	32	0.0	-59.55	275.31	1.38	-58.17
CC(C)[N@@H+]1CCCC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004592452	0	38	0.0	-50.92	290.72	2.46	-48.46
CC(C)[N@H+]1CCCC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004592452	1	38	0.0	-50.93	290.69	2.46	-48.47
CC(C)[N@@H+]1CCCC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004592452	1	38	0.0	-50.90	290.66	2.45	-48.45
CC(C)[N@H+]1CCCC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004592452	1	38	0.0	-50.91	290.64	2.44	-48.47
O=C(NCC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCC2)O1	REAL250004592453	0	36	0.0	-58.26	301.73	2.60	-55.66
CCC[N@@H+]1CCCC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004592455	0	38	0.0	-47.36	289.30	2.90	-44.46
CCC[N@H+]1CCCC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004592455	1	38	0.0	-47.40	289.31	2.90	-44.50
CCC[N@@H+]1CCCC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004592455	1	38	0.0	-47.34	289.24	2.88	-44.46
CCC[N@H+]1CCCC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004592455	1	38	0.0	-47.37	289.25	2.88	-44.49
C[N@@H+]1CC(C(=O)NCC2=NN=N[N-]2)C(C(F)(F)F)C1	REAL250004592456	0	32	0.0	-54.25	275.49	1.48	-52.77
C[N@H+]1CC(C(=O)NCC2=NN=N[N-]2)C(C(F)(F)F)C1	REAL250004592456	1	32	0.0	-55.02	269.24	1.19	-53.83
C[N@@H+]1CC(C(=O)NCC2=N[N-]N=N2)C(C(F)(F)F)C1	REAL250004592456	1	32	0.0	-54.22	275.43	1.47	-52.75
C[N@H+]1CC(C(=O)NCC2=N[N-]N=N2)C(C(F)(F)F)C1	REAL250004592456	1	32	0.0	-55.01	269.18	1.18	-53.83
C[N@H+](CC(=O)NCC1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL250004592520	0	36	0.0	-46.08	281.91	-1.03	-47.11
C[N@@H+](CC(=O)NCC1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL250004592520	1	36	0.0	-46.69	282.71	-0.93	-47.62
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=NN=N[N-]1	REAL250004592542	0	38	0.0	-47.76	286.19	2.93	-44.83
CC(C)C[N@H+]1CCCC1C(=O)NCC1=NN=N[N-]1	REAL250004592542	1	38	0.0	-46.59	296.48	2.88	-43.71
O=C(C[NH+]1CCC(CO)CC1)NCC1=NN=N[N-]1	REAL250004592543	1	36	0.0	-51.92	285.60	-1.14	-53.06
CC1CN2CC[N@@H+]1CC2C(=O)NCC1=NN=N[N-]1	REAL250004592546	0	35	0.0	-52.94	264.68	-1.37	-54.31
CC1CN2CC[N@H+]1CC2C(=O)NCC1=NN=N[N-]1	REAL250004592546	1	35	0.0	-54.26	263.14	-1.44	-55.70
CC1CN2CC[N@@H+]1CC2C(=O)NCC1=N[N-]N=N1	REAL250004592546	1	35	0.0	-52.91	264.62	-1.39	-54.30
CC1CN2CC[N@H+]1CC2C(=O)NCC1=N[N-]N=N1	REAL250004592546	1	35	0.0	-54.25	263.09	-1.45	-55.70
CC(C)C[NH+]1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004592567	0	41	0.0	-55.89	312.81	3.41	-52.48
CC(C)C[NH+]1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004592567	1	41	0.0	-55.92	312.87	3.42	-52.50
CC1CC2CCC(C(=O)NCC3=NN=N[N-]3)C[N@@H+]2C1	REAL250004592587	0	39	0.0	-50.27	299.65	3.03	-47.24
CC1CC2CCC(C(=O)NCC3=NN=N[N-]3)C[N@H+]2C1	REAL250004592587	1	39	0.0	-45.17	293.98	3.24	-41.93
CC1CC2CCC(C(=O)NCC3=N[N-]N=N3)C[N@@H+]2C1	REAL250004592587	1	39	0.0	-50.25	299.60	3.01	-47.24
CC1CC2CCC(C(=O)NCC3=N[N-]N=N3)C[N@H+]2C1	REAL250004592587	1	39	0.0	-45.19	293.92	3.23	-41.96
O=C(NCC1=NN=N[N-]1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL250004592589	0	39	0.0	-53.92	282.18	2.43	-51.49
O=C(NCC1=NN=N[N-]1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL250004592589	1	39	0.0	-46.93	286.52	3.15	-43.78
O=C(NCC1=N[N-]N=N1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL250004592589	1	39	0.0	-53.91	282.13	2.42	-51.49
O=C(NCC1=N[N-]N=N1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL250004592589	1	39	0.0	-46.90	286.46	3.14	-43.76
C[NH+]1CCC(OCC(=O)NCC2=N[N-]N=N2)CC1	REAL250004592656	0	36	0.0	-61.14	291.71	1.75	-59.39
C[NH+]1CCC(OCC(=O)NCC2=NN=N[N-]2)CC1	REAL250004592656	1	36	0.0	-61.17	291.77	1.77	-59.40
O=C(NCC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL250004592662	1	39	0.0	-58.50	317.97	3.35	-55.15
O=C(NCC1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL250004592859	0	39	0.0	-54.18	314.93	4.05	-50.13
O=C(NCC1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL250004592859	1	39	0.0	-54.50	316.29	4.16	-50.34
O=C(NCC1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL250004592859	1	39	0.0	-54.20	314.87	4.04	-50.16
O=C(NCC1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL250004592859	1	39	0.0	-54.49	316.24	4.15	-50.34
O=C(NCC1=NN=N[N-]1)C1CC[N@@H+]2CCOCC12	REAL250004593007	0	34	0.0	-55.11	270.75	-0.05	-55.16
O=C(NCC1=NN=N[N-]1)C1CC[N@H+]2CCOCC12	REAL250004593007	1	34	0.0	-51.72	268.42	-0.19	-51.91
O=C(NCC1=N[N-]N=N1)C1CC[N@@H+]2CCOCC12	REAL250004593007	1	34	0.0	-55.08	270.69	-0.07	-55.15
O=C(NCC1=N[N-]N=N1)C1CC[N@H+]2CCOCC12	REAL250004593007	1	34	0.0	-51.71	268.36	-0.20	-51.91
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=N[N-]N=N2)C1	REAL250004593099	0	41	0.0	-60.14	294.13	2.33	-57.81
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=N[N-]N=N2)C1	REAL250004593099	1	41	0.0	-59.14	301.74	2.76	-56.38
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=NN=N[N-]2)C1	REAL250004593099	1	41	0.0	-60.12	294.19	2.35	-57.77
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=NN=N[N-]2)C1	REAL250004593099	1	41	0.0	-59.13	301.80	2.78	-56.35
O=C(NCC1=N[N-]N=N1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL250004593332	0	33	0.0	-71.82	271.65	-0.63	-72.45
O=C(NCC1=NN=N[N-]1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL250004593332	1	33	0.0	-71.78	271.71	-0.61	-72.39
CC1=[NH+]C=C2C=CC(C(=O)NCC3=NN=N[N-]3)=CN21	REAL250004593334	0	30	0.0	-51.58	263.39	2.94	-48.64
CC[N@@H+]1CCOCC1CC(=O)NCC1=NN=N[N-]1	REAL250004593341	0	36	0.0	-54.44	275.60	0.01	-54.43
CC[N@H+]1CCOCC1CC(=O)NCC1=NN=N[N-]1	REAL250004593341	1	36	0.0	-54.25	275.19	0.03	-54.22
CC[N@@H+]1CCOCC1CC(=O)NCC1=N[N-]N=N1	REAL250004593341	1	36	0.0	-54.44	275.54	-0.01	-54.45
CC[N@H+]1CCOCC1CC(=O)NCC1=N[N-]N=N1	REAL250004593341	1	36	0.0	-54.22	275.13	0.02	-54.20
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL250004593685	0	39	0.0	-62.60	319.70	2.94	-59.66
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL250004593685	1	39	0.0	-62.61	319.76	2.96	-59.65
COC(=O)CC(C(=O)NCC1=NN=N[N-]1)[NH+]1CCCCC1	REAL250004593710	1	41	0.0	-50.53	318.11	3.57	-46.96
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=N[N-]N=N2)CC1	REAL250004593841	0	38	0.0	-51.03	284.06	2.35	-48.68
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=NN=N[N-]2)CC1	REAL250004593841	1	38	0.0	-51.04	284.11	2.37	-48.67
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004593889	0	41	0.0	-47.71	306.67	3.56	-44.15
CC(C)C[N@H+]1CCCC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004593889	1	41	0.0	-51.93	312.96	3.36	-48.57
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004593889	1	41	0.0	-47.71	306.67	3.56	-44.15
CC(C)C[N@H+]1CCCC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004593889	1	41	0.0	-51.93	312.96	3.36	-48.57
CN(C(=O)CCCC1=N[N-]N=N1)C1C[NH+]2CCC1CC2	REAL250004593895	0	42	0.0	-75.27	305.21	4.60	-70.67
CN(C(=O)CCCC1=NN=N[N-]1)C1C[NH+]2CCC1CC2	REAL250004593895	1	42	0.0	-75.28	305.27	4.61	-70.67
C[NH+](C)C1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004593901	0	44	0.0	-69.97	329.32	4.24	-65.73
C[NH+](C)C1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004593901	1	44	0.0	-69.95	329.38	4.26	-65.69
CC1CN(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004593908	0	38	0.0	-73.98	292.14	4.23	-69.75
CC1CN(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004593908	1	38	0.0	-73.97	292.16	4.25	-69.72
CC1C[N@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004593908	1	38	0.0	-73.97	292.20	4.24	-69.73
CC1C[N@@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004593908	1	38	0.0	-74.00	292.22	4.26	-69.74
CC1C[N@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004593908	1	38	0.0	-73.97	292.20	4.24	-69.73
CC1C[N@@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004593908	1	38	0.0	-74.00	292.22	4.26	-69.74
CC1CN(C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004593909	0	38	0.0	-58.98	299.82	4.51	-54.47
CC1CN(C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004593909	1	38	0.0	-59.01	299.86	4.51	-54.50
CC1C[N@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004593909	1	38	0.0	-58.98	299.82	4.51	-54.47
CC1C[N@@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004593909	1	38	0.0	-59.01	299.86	4.51	-54.50
O=C(CCCC1=N[N-]N=N1)N1CCC([NH+]2CCCC2)CC1	REAL250004593923	0	45	0.0	-72.64	331.12	5.50	-67.14
O=C(CCCC1=NN=N[N-]1)N1CCC([NH+]2CCCC2)CC1	REAL250004593923	1	45	0.0	-72.63	331.18	5.51	-67.12
CC(C)CC(CNC(=O)CCCC1=N[N-]N=N1)[NH+](C)C	REAL250004593943	0	46	0.0	-70.23	340.84	5.04	-65.19
CC(C)CC(CNC(=O)CCCC1=NN=N[N-]1)[NH+](C)C	REAL250004593943	1	46	0.0	-70.23	340.89	5.06	-65.17
C[NH+](C)CCN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004593944	0	47	0.0	-62.74	350.89	6.44	-56.30
C[NH+](C)CCN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004593944	1	47	0.0	-62.77	350.95	6.45	-56.32
CC[NH+](CC)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004593951	0	43	0.0	-66.48	321.08	4.67	-61.81
CC[NH+](CC)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004593951	1	43	0.0	-66.49	321.14	4.69	-61.80
C[NH+](C)CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004593953	0	47	0.0	-75.98	353.78	6.15	-69.83
C[NH+](C)CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004593953	1	47	0.0	-76.03	353.83	6.17	-69.86
CC(CNC(=O)CCCC1=N[N-]N=N1)N1CC[NH+](C)CC1	REAL250004593955	0	46	0.0	-70.82	348.61	1.95	-68.87
CC(CNC(=O)CCCC1=NN=N[N-]1)N1CC[NH+](C)CC1	REAL250004593955	1	46	0.0	-70.84	348.67	1.97	-68.87
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC[NH+](C)CC1	REAL250004593956	0	44	0.0	-74.85	331.93	4.22	-70.63
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC[NH+](C)CC1	REAL250004593956	1	44	0.0	-74.92	331.99	4.24	-70.68
CC[NH+](CC)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594103	0	41	0.0	-63.32	324.19	4.51	-58.81
CC(C)[N@H+](C)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594107	0	41	0.0	-62.76	327.03	4.62	-58.14
CC(C)[N@@H+](C)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594107	1	41	0.0	-62.77	327.02	4.63	-58.14
CC(C)(C)[NH2+]CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594113	0	41	0.0	-64.36	331.56	3.16	-61.20
C[NH+](C)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594131	1	35	0.0	-65.68	292.61	3.43	-62.25
CCC[N@H+](C)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594139	0	41	0.0	-65.08	331.84	4.85	-60.23
CCC[N@@H+](C)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594139	1	41	0.0	-65.07	331.83	4.84	-60.23
C[N@@H+]1CCCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594160	0	39	0.0	-63.77	312.61	3.97	-59.80
C[N@H+]1CCCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594160	1	39	0.0	-63.85	312.64	3.98	-59.87
O=C(C[NH+]1CCCC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594257	0	39	0.0	-64.07	316.56	4.46	-59.61
CCC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004594267	0	41	0.0	-62.71	323.12	4.42	-58.29
C=C(C[NH+](C)C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594315	0	39	0.0	-66.15	324.68	4.48	-61.67
C=C(C[NH+](C)C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594315	1	39	0.0	-66.13	324.74	4.47	-61.66
CC1=[NH+]C=CN1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594400	1	37	0.0	-62.02	322.04	5.04	-56.98
C[NH+](C)C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004594402	0	39	0.0	-64.74	315.04	5.13	-59.61
C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594541	0	39	0.0	-61.45	318.30	4.38	-57.07
C[N@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594541	1	39	0.0	-63.85	312.65	3.97	-59.88
C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594542	0	39	0.0	-63.85	312.66	3.98	-59.87
C[N@H+]1CCC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594542	1	39	0.0	-61.56	319.04	4.42	-57.14
C[C@H](C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004594543	0	38	0.0	-63.42	310.78	3.83	-59.59
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC[NH+](CC1)C2	REAL250004594544	0	40	0.0	-66.28	324.23	3.94	-62.34
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC[NH+](CC1)C2	REAL250004594544	1	40	0.0	-66.29	324.17	3.95	-62.34
CC1=C[NH+]=CN1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594548	1	37	0.0	-64.68	321.32	5.73	-58.95
C[C@@H](C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004594557	0	38	0.0	-63.39	310.51	3.84	-59.55
CC[C@@H](C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004594571	0	41	0.0	-62.41	322.84	4.45	-57.96
CC[C@H](C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004594572	0	41	0.0	-62.74	323.12	4.42	-58.32
CC[N@@H+]1CCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594605	1	39	0.0	-62.84	317.41	4.16	-58.68
CC[N@H+]1CCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594605	1	39	0.0	-63.58	324.24	4.46	-59.12
CC(C[NH+](C)C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594637	0	41	0.0	-66.15	330.95	4.71	-61.44
CC(C[NH+](C)C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594637	1	41	0.0	-66.09	331.01	4.70	-61.39
C[NH+](C)CC=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594638	0	39	0.0	-68.88	328.51	4.64	-64.24
C[NH+](C)CC=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594638	1	39	0.0	-68.85	328.57	4.64	-64.21
CC[NH+](CC)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595098	0	39	0.0	-64.41	293.13	2.05	-62.36
CC(C)[N@H+](C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595104	0	39	0.0	-63.58	296.24	2.18	-61.40
CC(C)[N@@H+](C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595104	1	39	0.0	-63.56	296.24	2.18	-61.38
CC(C)(C)[NH2+]CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595114	0	39	0.0	-64.59	300.71	0.69	-63.90
CC(C)(C)[NH2+]CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595114	1	39	0.0	-64.58	300.77	0.72	-63.86
O=C(CC[NH+]1CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595118	1	41	0.0	-72.46	317.08	1.05	-71.41
C[NH+](C)CCCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595167	0	42	0.0	-72.06	327.12	3.15	-68.91
C[NH+](C)CCCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595167	1	42	0.0	-72.12	327.18	3.17	-68.95
CC(C)C(C(=O)N1CCOC(C2=N[N-]N=N2)C1)[NH+](C)C	REAL250004595169	0	42	0.0	-62.48	302.32	2.35	-60.13
CC(C)C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004595169	1	42	0.0	-62.46	302.38	2.37	-60.09
CCC[N@H+](C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595175	0	39	0.0	-66.42	301.09	2.40	-64.02
CCC[N@@H+](C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595175	1	39	0.0	-66.44	301.08	2.40	-64.04
C[N@@H+]1CCCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595200	0	40	0.0	-61.04	301.56	2.55	-58.49
C[N@H+]1CCCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595200	1	40	0.0	-65.17	294.47	2.26	-62.91
CC[N@@H+]1CCOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595208	1	41	0.0	-66.26	305.35	1.74	-64.52
CC[N@H+]1CCOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004595208	1	41	0.0	-66.74	305.62	1.72	-65.02
C[N@@H+]1CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595226	0	37	0.0	-65.01	280.60	1.51	-63.50
C[N@H+]1CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595226	1	37	0.0	-62.97	284.63	1.86	-61.11
CC1CCC(C)[NH+]1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595242	0	43	0.0	-62.42	318.86	3.00	-59.42
C[NH+]1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595252	0	40	0.0	-73.60	305.76	2.54	-71.06
C[NH+]1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595252	1	40	0.0	-73.59	305.82	2.57	-71.02
CCC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)[NH+](CC)CC	REAL250004595257	0	45	0.0	-58.15	324.59	3.15	-55.00
CCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+](CC)CC	REAL250004595257	1	45	0.0	-58.17	324.64	3.17	-55.00
C[N@@H+]1CCCC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595292	0	40	0.0	-61.05	301.46	2.54	-58.51
C[N@H+]1CCCC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595292	1	40	0.0	-65.96	294.18	2.28	-63.68
C[NH+](C)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCC1	REAL250004595338	0	40	0.0	-68.25	287.18	2.04	-66.21
CC1CC[NH+](CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595343	0	43	0.0	-66.75	324.39	3.47	-63.28
CC(C)[C@@H](C(=O)N1CCOC(C2=N[N-]N=N2)C1)[NH+](C)C	REAL250004595358	0	42	0.0	-64.51	301.84	2.46	-62.05
CC(C)[C@@H](C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004595358	1	42	0.0	-64.54	301.90	2.48	-62.06
O=C(C[NH+]1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595415	0	37	0.0	-65.63	285.99	2.11	-63.52
CC[N@H+](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004595431	0	40	0.0	-62.29	310.97	3.02	-59.27
CC[N@@H+](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CC1	REAL250004595431	1	40	0.0	-63.39	308.28	3.01	-60.38
CCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004595445	0	39	0.0	-64.53	290.42	1.95	-62.58
CCCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004595448	0	42	0.0	-62.44	310.89	2.66	-59.78
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595452	1	35	0.0	-72.66	296.76	4.38	-68.28
C[NH+]1CCC(C)(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004595462	0	43	0.0	-54.26	309.78	2.48	-51.78
C[NH+]1CCC(C)(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595462	1	43	0.0	-54.26	309.84	2.51	-51.75
CCC(C)(C)[NH2+]C(C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595464	0	45	0.0	-63.68	326.48	1.61	-62.07
CCC(C)(C)[NH2+]C(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595464	1	45	0.0	-63.69	326.54	1.64	-62.05
C=C(C[NH+](C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595580	0	37	0.0	-65.96	293.66	1.93	-64.03
C=C(C[NH+](C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595580	1	37	0.0	-65.95	293.72	1.95	-64.00
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CCC[NH+]1CCC2	REAL250004595672	0	41	0.0	-61.00	298.98	2.33	-58.67
O=C(C1CCC[N@@H+]1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595708	0	41	0.0	-61.12	315.62	3.30	-57.82
O=C(C1CCC[N@H+]1C1CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595708	1	41	0.0	-60.12	312.22	3.16	-56.96
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595760	1	35	0.0	-69.65	296.63	4.35	-65.30
CC1=[NH+]C=CN1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595765	1	35	0.0	-62.74	290.16	2.54	-60.20
CC1=[NH+]C=CN1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595765	1	35	0.0	-62.74	290.22	2.57	-60.17
C[NH+](C)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004595769	0	37	0.0	-67.15	286.23	1.65	-65.50
C[N@H+](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004595911	0	40	0.0	-64.05	307.99	2.95	-61.10
C[N@@H+](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004595911	1	40	0.0	-64.01	307.97	2.96	-61.05
CC[C@@H]1[C@@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC[N@@H+]1C	REAL250004595984	0	43	0.0	-70.35	314.26	2.50	-67.85
CC[C@@H]1[C@@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC[N@H+]1C	REAL250004595984	1	43	0.0	-69.85	320.82	2.84	-67.01
CC[C@@H]1[C@@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC[N@@H+]1C	REAL250004595984	1	43	0.0	-70.42	314.32	2.52	-67.90
CC[C@@H]1[C@@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC[N@H+]1C	REAL250004595984	1	43	0.0	-69.86	320.88	2.86	-67.00
C[C@@H]1[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC[N@@H+]1C	REAL250004595992	0	40	0.0	-70.67	296.54	2.26	-68.41
C[C@@H]1[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC[N@H+]1C	REAL250004595992	1	40	0.0	-71.62	303.41	2.19	-69.43
C[C@@H]1[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC[N@@H+]1C	REAL250004595992	1	40	0.0	-70.70	296.60	2.29	-68.41
C[C@@H]1[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC[N@H+]1C	REAL250004595992	1	40	0.0	-71.61	303.46	2.21	-69.40
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596010	0	43	0.0	-62.77	322.47	2.71	-60.06
CC(C)(C)[N@H+]1CCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596010	1	43	0.0	-63.10	322.47	2.65	-60.45
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CC[N@H+](C1)CCC2	REAL250004596022	0	41	0.0	-76.09	292.56	1.71	-74.38
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL250004596022	1	41	0.0	-75.87	293.78	1.75	-74.12
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CC[N@H+](C1)CCC2	REAL250004596022	1	41	0.0	-76.10	292.62	1.74	-74.36
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CC[N@@H+](C1)CCC2	REAL250004596022	1	41	0.0	-75.91	293.83	1.77	-74.14
C[NH+](C)CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596063	0	40	0.0	-66.30	309.45	2.53	-63.77
C[NH+](C)CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596063	1	40	0.0	-66.32	309.51	2.55	-63.77
C[N@@H+]1CCC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596081	0	37	0.0	-62.01	283.76	1.77	-60.24
C[N@H+]1CCC[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596081	1	37	0.0	-63.98	280.16	1.54	-62.44
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596082	0	37	0.0	-65.15	280.66	1.51	-63.64
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596082	1	37	0.0	-63.00	284.63	1.85	-61.15
C[C@H](C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004596083	0	36	0.0	-64.04	278.04	1.33	-62.71
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CC[NH+](CC1)C2	REAL250004596086	0	38	0.0	-71.29	285.92	1.25	-70.04
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CC[NH+](CC1)C2	REAL250004596086	1	38	0.0	-71.30	285.97	1.26	-70.04
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596090	0	41	0.0	-63.26	300.87	-1.91	-65.17
C[N@H+]1CC(O)CC1(C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596090	1	41	0.0	-60.34	298.96	-1.91	-62.25
CC1=C[NH+]=CN1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596100	1	35	0.0	-65.83	290.54	3.29	-62.54
CC1=C[NH+]=CN1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596100	1	35	0.0	-65.78	290.48	3.27	-62.51
C[C@@H](C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004596119	0	36	0.0	-64.15	278.08	1.36	-62.79
CC1C[N@H+](C)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004596122	1	41	0.0	-79.34	309.70	1.61	-77.73
CC1C[N@@H+](C)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL250004596122	1	41	0.0	-79.70	308.64	1.55	-78.15
C[N@@H+]1CCCC1CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596123	0	43	0.0	-72.62	329.15	3.52	-69.10
C[N@H+]1CCCC1CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596123	1	43	0.0	-72.49	325.53	3.37	-69.12
C[N@@H+]1CCCC1CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596123	1	43	0.0	-72.64	329.21	3.55	-69.09
C[N@H+]1CCCC1CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596123	1	43	0.0	-72.47	325.58	3.39	-69.08
C[N@H+](CC(=O)N1CCOC(C2=N[N-]N=N2)C1)CC(C)(C)C	REAL250004596129	0	45	0.0	-66.23	329.63	3.37	-62.86
C[N@@H+](CC(=O)N1CCOC(C2=N[N-]N=N2)C1)CC(C)(C)C	REAL250004596129	1	45	0.0	-66.03	331.58	3.52	-62.51
C[N@H+](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)CC(C)(C)C	REAL250004596129	1	45	0.0	-66.23	329.69	3.40	-62.83
C[N@@H+](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)CC(C)(C)C	REAL250004596129	1	45	0.0	-66.05	331.63	3.54	-62.51
C=C(CC[NH+](C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596132	0	40	0.0	-45.88	307.57	2.26	-43.62
C=C(CC[NH+](C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596132	1	40	0.0	-45.92	307.63	2.29	-43.63
C[NH+]1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596155	0	40	0.0	-73.60	305.76	2.54	-71.06
C[NH+]1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596155	1	40	0.0	-73.59	305.82	2.57	-71.02
CC[C@@H](C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004596160	0	39	0.0	-64.62	291.30	2.03	-62.59
CC[C@H](C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004596161	0	39	0.0	-64.73	291.35	2.05	-62.68
C[N@@H+]1CCCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596216	0	40	0.0	-61.04	301.56	2.55	-58.49
C[N@H+]1CCCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596216	1	40	0.0	-65.17	294.47	2.26	-62.91
CC[N@@H+]1CCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596262	1	37	0.0	-63.27	284.78	1.64	-61.63
CC[N@H+]1CCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596262	1	37	0.0	-63.26	285.01	1.63	-61.63
O=C(CC[N@H+]1CCC(F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596266	0	40	0.0	-72.90	316.02	2.84	-70.06
O=C(CC[N@@H+]1CCC(F)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596266	1	40	0.0	-74.13	315.84	2.78	-71.35
O=C(CC[N@H+]1CCC(F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596266	1	40	0.0	-72.86	316.08	2.87	-69.99
O=C(CC[N@@H+]1CCC(F)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596266	1	40	0.0	-74.10	315.90	2.80	-71.30
CC(CC[NH+](C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596269	0	42	0.0	-57.11	319.30	2.63	-54.48
CC(CC[NH+](C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596269	1	42	0.0	-57.11	319.35	2.66	-54.45
C[NH+](C)C1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCC1	REAL250004596318	0	43	0.0	-60.97	305.11	2.44	-58.53
C[NH+](C)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCC1	REAL250004596318	1	43	0.0	-61.02	305.16	2.46	-58.56
CC(C)[N@@H+]1CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596331	0	43	0.0	-63.09	309.86	3.27	-59.82
CC(C)[N@H+]1CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596331	1	43	0.0	-63.06	309.68	3.13	-59.93
CC(C)(C)[NH2+]CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596336	0	42	0.0	-72.35	322.27	1.31	-71.04
CC(C)(C)[NH2+]CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596336	1	42	0.0	-72.32	322.32	1.34	-70.98
C[NH+](C)CC(O)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596359	0	40	0.0	-74.95	314.37	0.04	-74.91
C[NH+](C)CC(O)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596359	1	40	0.0	-74.97	314.43	0.07	-74.90
CC(C[NH+](C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596360	0	39	0.0	-54.63	297.64	1.99	-52.64
CC(C[NH+](C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596360	1	39	0.0	-54.62	297.70	2.02	-52.60
C[NH+](C)CC=CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596361	0	37	0.0	-58.60	296.61	2.18	-56.42
C[NH+](C)CC=CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596361	1	37	0.0	-58.57	296.67	2.21	-56.36
C=CCC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004596404	0	40	0.0	-64.93	306.59	2.57	-62.36
C[N@@H+]1CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596412	0	40	0.0	-69.77	305.76	2.49	-67.28
C[N@H+]1CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596412	1	40	0.0	-69.63	306.21	2.54	-67.09
C[N@@H+]1CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596412	1	40	0.0	-69.76	305.81	2.51	-67.25
C[N@H+]1CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596412	1	40	0.0	-69.64	306.26	2.57	-67.07
C[N@H+]1CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596433	0	41	0.0	-67.02	320.91	3.35	-63.67
C[N@@H+]1CC=C(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL250004596433	1	41	0.0	-64.74	320.92	3.35	-61.39
C[N@H+]1CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596433	1	41	0.0	-67.03	320.97	3.37	-63.66
C[N@@H+]1CC=C(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL250004596433	1	41	0.0	-64.71	320.98	3.37	-61.34
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596782	0	40	0.0	-69.47	310.98	2.71	-66.76
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596782	1	40	0.0	-69.46	311.04	2.74	-66.72
CC[N@@H+]1CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596802	0	43	0.0	-63.29	315.69	3.35	-59.94
CC[N@H+]1CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL250004596802	1	43	0.0	-63.29	315.66	3.34	-59.95
CC[N@@H+]1CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596802	1	43	0.0	-63.29	315.69	3.35	-59.94
CC[N@H+]1CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL250004596802	1	43	0.0	-63.29	315.66	3.34	-59.95
CC[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004596804	0	43	0.0	-66.42	325.93	3.39	-63.03
CC[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004596804	1	43	0.0	-67.80	320.20	3.26	-64.54
CC[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004596804	1	43	0.0	-66.42	325.93	3.39	-63.03
CC[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004596804	1	43	0.0	-67.80	320.20	3.26	-64.54
CC(C)[N@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596805	0	40	0.0	-67.80	311.60	2.96	-64.84
CC(C)[N@@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596805	1	40	0.0	-67.79	311.60	2.96	-64.83
CC(C)[N@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596805	1	40	0.0	-67.80	311.60	2.96	-64.84
CC(C)[N@@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596805	1	40	0.0	-67.79	311.60	2.96	-64.83
CC(C)[N@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596806	0	40	0.0	-57.65	322.20	2.75	-54.90
CC(C)[N@@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596806	1	40	0.0	-57.65	322.20	2.76	-54.89
CC(C)[N@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596806	1	40	0.0	-57.65	322.20	2.75	-54.90
CC(C)[N@@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596806	1	40	0.0	-57.65	322.20	2.76	-54.89
CC[NH+]1CCN(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596812	0	46	0.0	-69.53	352.86	1.82	-67.71
CC[NH+]1CCN(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596812	1	46	0.0	-69.52	352.92	1.84	-67.68
C[NH+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596813	0	44	0.0	-76.42	332.19	5.59	-70.83
C[NH+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596813	1	44	0.0	-76.42	332.24	5.60	-70.82
CC[N@@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596822	0	41	0.0	-67.59	307.31	5.39	-62.20
CC[N@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596822	1	41	0.0	-67.56	307.28	5.37	-62.19
CC[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596822	1	41	0.0	-67.59	307.31	5.39	-62.20
CC[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596822	1	41	0.0	-67.56	307.28	5.37	-62.19
CC(C)[N@H+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596823	0	47	0.0	-70.80	340.90	5.58	-65.22
CC(C)[N@@H+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596823	1	47	0.0	-70.83	340.76	5.57	-65.26
CC(C)[N@H+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596823	1	47	0.0	-70.80	340.90	5.58	-65.22
CC(C)[N@@H+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596823	1	47	0.0	-70.83	340.76	5.57	-65.26
CC[NH+](CC)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596824	0	47	0.0	-70.91	340.24	5.63	-65.28
CC[NH+](CC)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596824	1	47	0.0	-70.95	340.30	5.64	-65.31
C[NH+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596825	0	41	0.0	-73.54	310.00	4.64	-68.90
C[NH+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596825	1	41	0.0	-73.57	310.06	4.65	-68.92
C=C(C)C[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596827	0	45	0.0	-69.22	349.82	4.76	-64.46
C=C(C)C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596827	1	45	0.0	-69.21	349.87	4.77	-64.44
C=CC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596828	0	42	0.0	-69.21	331.16	4.22	-64.99
C=CC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596828	1	42	0.0	-69.26	331.21	4.24	-65.02
CCCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596831	0	47	0.0	-69.69	360.45	5.15	-64.54
CCCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596831	1	47	0.0	-69.70	360.51	5.17	-64.53
CN(CC1CC[NH+](C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004596853	0	44	0.0	-63.02	333.74	5.57	-57.45
CN(CC1CC[NH+](C)CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004596853	1	44	0.0	-63.05	333.80	5.59	-57.46
CC(CN1CC[NH+](C)CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004596894	0	46	0.0	-68.61	356.10	2.27	-66.34
CC(CN1CC[NH+](C)CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004596894	1	46	0.0	-68.62	356.16	2.28	-66.34
CC(C)C1=NC=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596896	0	42	0.0	-64.62	340.23	4.39	-60.23
CC(C)C1=[NH+]C=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596896	1	42	0.0	-64.62	340.23	4.39	-60.23
CC(C)CN(CC[NH+](C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004596901	0	46	0.0	-65.68	349.73	6.04	-59.64
CC(C)CN(CC[NH+](C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004596901	1	46	0.0	-65.67	349.79	6.06	-59.61
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+]2CCCC2C1	REAL250004596908	0	39	0.0	-70.39	298.94	4.54	-65.85
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+]2CCCC2C1	REAL250004596908	1	39	0.0	-70.47	298.93	4.53	-65.94
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+]2CCCC2C1	REAL250004596908	1	39	0.0	-70.39	298.94	4.54	-65.85
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+]2CCCC2C1	REAL250004596908	1	39	0.0	-70.47	298.93	4.53	-65.94
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@@H+]2CCCC2C1	REAL250004596909	0	39	0.0	-55.25	306.73	4.76	-50.49
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@H+]2CCCC2C1	REAL250004596909	1	39	0.0	-55.32	306.71	4.74	-50.58
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@@H+]2CCCC2C1	REAL250004596909	1	39	0.0	-55.25	306.73	4.76	-50.49
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@H+]2CCCC2C1	REAL250004596909	1	39	0.0	-55.32	306.71	4.74	-50.58
CC(O)CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596910	0	42	0.0	-74.03	324.85	1.63	-72.40
CC(O)CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596910	1	42	0.0	-74.00	324.90	1.64	-72.36
CC(O)C[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004596910	1	42	0.0	-74.03	324.85	1.63	-72.40
CC(O)C[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004596910	1	42	0.0	-74.00	324.90	1.64	-72.36
O=C(CCCC1=N[N-]N=N1)N1CCCC([NH+]2CCCC2)C1	REAL250004596929	0	45	0.0	-64.85	337.57	5.78	-59.07
O=C(CCCC1=NN=N[N-]1)N1CCCC([NH+]2CCCC2)C1	REAL250004596929	1	45	0.0	-64.89	337.63	5.79	-59.10
C[N@@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004596934	0	38	0.0	-71.43	300.31	3.00	-68.43
C[N@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004596934	1	38	0.0	-71.46	300.31	2.99	-68.47
C[N@@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004596934	1	38	0.0	-71.43	300.31	3.00	-68.43
C[N@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004596934	1	38	0.0	-71.46	300.31	2.99	-68.47
C[N@@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004596935	0	38	0.0	-59.33	306.81	3.29	-56.04
C[N@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004596935	1	38	0.0	-59.28	306.80	3.31	-55.97
CC1CCCC(C)[NH+]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596940	0	47	0.0	-65.34	345.47	4.29	-61.05
CC1CCCC(C)[NH+]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596940	1	47	0.0	-65.40	345.53	4.31	-61.09
C[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004596949	0	44	0.0	-68.80	337.27	4.33	-64.47
C[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004596949	1	44	0.0	-68.92	337.25	4.34	-64.58
C[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004596949	1	44	0.0	-68.80	337.27	4.33	-64.47
C[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004596949	1	44	0.0	-68.92	337.25	4.34	-64.58
COCCN(CC[NH+](C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004596951	0	44	0.0	-72.81	346.56	3.99	-68.82
COCCN(CC[NH+](C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004596951	1	44	0.0	-72.85	346.61	4.00	-68.85
CCCC[N@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596958	0	43	0.0	-70.63	337.91	3.94	-66.69
CCCC[N@@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596958	1	43	0.0	-70.60	337.91	3.94	-66.66
CCCC[N@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596958	1	43	0.0	-70.63	337.91	3.94	-66.69
CCCC[N@@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596958	1	43	0.0	-70.60	337.91	3.94	-66.66
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CCSCC1	REAL250004596962	0	39	0.0	-73.97	317.86	3.38	-70.59
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CCSCC1	REAL250004596962	1	39	0.0	-74.01	317.92	3.39	-70.62
CCC1CCCC[N@@H+]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596975	0	47	0.0	-66.91	353.20	4.70	-62.21
CCC1CCCC[N@H+]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004596975	1	47	0.0	-66.95	353.62	4.72	-62.23
CCC1CCCC[N@@H+]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596975	1	47	0.0	-66.94	353.26	4.72	-62.22
CCC1CCCC[N@H+]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004596975	1	47	0.0	-66.96	353.68	4.74	-62.22
C[N@@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004596979	0	41	0.0	-71.14	320.11	3.70	-67.44
C[N@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004596979	1	41	0.0	-71.13	320.12	3.70	-67.43
C[N@@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004596979	1	41	0.0	-71.10	320.17	3.71	-67.39
C[N@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004596979	1	41	0.0	-71.07	320.18	3.71	-67.36
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](CC2CC2)C1	REAL250004596988	0	42	0.0	-70.32	333.09	4.46	-65.86
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](CC2CC2)C1	REAL250004596988	1	42	0.0	-71.24	332.58	4.57	-66.67
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](CC2CC2)C1	REAL250004596988	1	42	0.0	-70.36	333.15	4.48	-65.88
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](CC2CC2)C1	REAL250004596988	1	42	0.0	-71.27	332.64	4.58	-66.69
CC[N@@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004597002	0	44	0.0	-67.03	330.94	4.56	-62.47
CC[N@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004597002	1	44	0.0	-66.33	330.85	4.54	-61.79
CC[N@@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004597002	1	44	0.0	-67.04	331.00	4.57	-62.47
CC[N@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004597002	1	44	0.0	-66.32	330.90	4.56	-61.76
CCC(C[NH+]1CCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004597004	0	44	0.0	-68.55	338.21	4.76	-63.79
CCC(C[NH+]1CCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004597004	1	44	0.0	-68.59	338.26	4.78	-63.81
C[NH+](C)CCC(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C	REAL250004597006	0	49	0.0	-74.77	364.33	5.32	-69.45
C[NH+](C)CCC(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C	REAL250004597006	1	49	0.0	-74.82	364.39	5.34	-69.48
CN1CC[N@H+](C)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004597013	0	43	0.0	-72.92	332.09	1.50	-71.42
CN1CC[N@@H+](C)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004597013	1	43	0.0	-71.95	332.34	1.61	-70.34
CN1CC[N@H+](C)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004597013	1	43	0.0	-72.92	332.14	1.52	-71.40
CN1CC[N@@H+](C)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004597013	1	43	0.0	-71.98	332.39	1.63	-70.35
CC1C[N@@H+]2CCCCC2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004597015	0	45	0.0	-69.05	331.77	5.73	-63.32
CC1C[N@H+]2CCCCC2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004597015	1	45	0.0	-69.10	333.43	5.90	-63.20
CC1C[N@@H+]2CCCCC2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004597015	1	45	0.0	-69.05	331.83	5.75	-63.30
CC1C[N@H+]2CCCCC2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004597015	1	45	0.0	-69.16	333.49	5.92	-63.24
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2CCC2)CC1	REAL250004597025	0	42	0.0	-70.50	321.99	5.46	-65.04
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2CCC2)CC1	REAL250004597025	1	42	0.0	-70.50	322.04	5.47	-65.03
CC[N@@H+]1CCOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004597077	1	42	0.0	-71.64	331.15	2.01	-69.63
CC[N@H+]1CCOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004597077	1	42	0.0	-71.49	330.87	2.07	-69.42
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004597150	0	45	0.0	-72.36	327.54	2.12	-70.24
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004597150	1	45	0.0	-72.37	327.60	2.14	-70.23
C[NH+](C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL250004597226	1	36	0.0	-70.20	297.28	2.86	-67.34
C[C@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004597348	1	39	0.0	-67.80	315.11	3.27	-64.53
C[C@@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004597354	1	39	0.0	-67.27	315.49	3.27	-64.00
O=C(CCCC1=N[N-]N=N1)N1CCC([NH+]2CCCCC2)C1	REAL250004597435	0	45	0.0	-69.66	341.67	5.82	-63.84
O=C(CCCC1=NN=N[N-]1)N1CCC([NH+]2CCCCC2)C1	REAL250004597435	1	45	0.0	-69.61	341.73	5.84	-63.77
O=C(CCCC1=NN=N[N-]1)NC1=NN(C2=CC=[NH+]C=C2)C=C1	REAL250004597439	1	36	0.0	-74.19	309.65	4.21	-69.98
COCC[N@@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004597440	0	42	0.0	-71.04	331.87	2.41	-68.63
COCC[N@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004597440	1	42	0.0	-70.62	333.70	2.15	-68.47
COCC[N@@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004597440	1	42	0.0	-71.07	331.93	2.43	-68.64
COCC[N@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004597440	1	42	0.0	-70.66	333.76	2.17	-68.49
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+](C)C1	REAL250004597446	0	41	0.0	-74.34	308.44	5.25	-69.09
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+](C)C1	REAL250004597446	1	41	0.0	-75.19	305.49	4.75	-70.44
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+](C)C1	REAL250004597446	1	41	0.0	-74.36	308.49	5.26	-69.10
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+](C)C1	REAL250004597446	1	41	0.0	-75.24	305.55	4.77	-70.47
CC[NH+](CC)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597739	0	43	0.0	-53.36	327.85	3.95	-49.41
CC(C)CC(NC(=O)C[N@H+](C)C(C)C)C1=NN=N[N-]1	REAL250004597745	0	43	0.0	-51.13	326.22	3.82	-47.31
CC(C)CC(NC(=O)C[N@@H+](C)C(C)C)C1=NN=N[N-]1	REAL250004597745	1	43	0.0	-52.14	326.17	3.79	-48.35
CC(C)CC(NC(=O)C[NH2+]C(C)(C)C)C1=N[N-]N=N1	REAL250004597755	0	43	0.0	-52.39	330.65	2.30	-50.09
CC(C)CC(NC(=O)C[NH2+]C(C)(C)C)C1=NN=N[N-]1	REAL250004597755	1	43	0.0	-52.41	330.71	2.32	-50.09
CC(C)CC(NC(=O)CC[NH+]1CCOCC1)C1=NN=N[N-]1	REAL250004597759	1	45	0.0	-61.41	347.07	2.61	-58.80
CC(C)CC(NC(=O)CCCC[NH+](C)C)C1=N[N-]N=N1	REAL250004597796	0	46	0.0	-65.27	357.02	4.76	-60.51
CC(C)CC(NC(=O)CCCC[NH+](C)C)C1=NN=N[N-]1	REAL250004597796	1	46	0.0	-65.27	357.08	4.78	-60.49
CCC[N@H+](C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597803	0	43	0.0	-53.92	330.98	4.01	-49.91
CCC[N@@H+](C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004597803	1	43	0.0	-53.99	331.03	4.03	-49.96
CC[N@@H+]1CCOC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004597833	1	45	0.0	-47.63	339.80	3.55	-44.08
CC[N@H+]1CCOC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004597833	1	45	0.0	-63.50	346.93	3.71	-59.79
CC(C)CC(NC(=O)C1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004597848	0	41	0.0	-53.05	317.83	3.63	-49.42
CC(C)CC(NC(=O)C1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004597848	1	41	0.0	-58.02	311.67	3.17	-54.85
CC(C)CC(NC(=O)C[NH+]1C(C)CCC1C)C1=NN=N[N-]1	REAL250004597863	0	47	0.0	-51.42	348.89	4.61	-46.81
CC(C)CC(NC(=O)C1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004597872	0	44	0.0	-67.24	336.28	4.24	-63.00
CC(C)CC(NC(=O)C1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004597872	1	44	0.0	-67.22	336.34	4.25	-62.97
CCC(C(=O)NC(CC(C)C)C1=N[N-]N=N1)[NH+](CC)CC	REAL250004597877	0	49	0.0	-48.21	354.54	4.71	-43.50
CCC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)[NH+](CC)CC	REAL250004597877	1	49	0.0	-48.22	354.59	4.72	-43.50
CC(C)CC(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004597911	1	44	0.0	-56.85	324.48	4.05	-52.80
CC(C)CC(NC(=O)[C@@H]1CCCC[N@H+]1C)C1=NN=N[N-]1	REAL250004597911	1	44	0.0	-48.17	333.69	4.23	-43.94
CC(C)CC(NC(=O)C[NH+]1CCC(C)CC1)C1=NN=N[N-]1	REAL250004597950	0	47	0.0	-54.30	354.68	5.10	-49.20
CC(C)CC(NC(=O)C[NH+]1CCCC1)C1=NN=N[N-]1	REAL250004598004	1	41	0.0	-53.18	317.24	3.73	-49.45
CC[N@H+](CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C1CC1	REAL250004598017	0	44	0.0	-50.25	340.35	4.62	-45.63
CC[N@@H+](CC(=O)NC(CC(C)C)C1=NN=N[N-]1)C1CC1	REAL250004598017	1	44	0.0	-52.04	337.50	4.63	-47.41
CCC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)[NH+](C)C	REAL250004598030	0	43	0.0	-49.72	322.26	3.64	-46.08
CC(C)CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=NN=N[N-]1	REAL250004598036	1	39	0.0	-68.46	322.15	6.15	-62.31
CCC(C)(C)[NH2+]C(C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598046	0	49	0.0	-54.63	357.14	3.19	-51.44
CCC(C)(C)[NH2+]C(C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598046	1	49	0.0	-54.66	357.20	3.20	-51.46
C=C(C[NH+](C)C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598139	0	41	0.0	-67.29	323.83	3.65	-63.64
C=C(C[NH+](C)C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598139	1	41	0.0	-67.26	323.89	3.66	-63.60
CC(C)CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=NN=N[N-]1	REAL250004598288	1	39	0.0	-61.93	321.87	6.13	-55.80
CC1=[NH+]C=CN1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598291	1	39	0.0	-53.35	321.18	4.21	-49.14
CC1=[NH+]C=CN1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598291	1	39	0.0	-53.40	321.24	4.23	-49.17
CC(C)CC(NC(=O)C[N@H+](C)C1CCC1)C1=NN=N[N-]1	REAL250004598419	0	44	0.0	-51.45	337.87	4.57	-46.88
CC(C)CC(NC(=O)C[N@@H+](C)C1CCC1)C1=NN=N[N-]1	REAL250004598419	1	44	0.0	-52.14	337.97	4.58	-47.56
CC[C@@H]1[C@@H](C(=O)NC(CC(C)C)C2=NN=N[N-]2)CC[N@@H+]1C	REAL250004598478	0	47	0.0	-63.88	348.60	4.29	-59.59
CC[C@@H]1[C@@H](C(=O)NC(CC(C)C)C2=NN=N[N-]2)CC[N@H+]1C	REAL250004598478	1	47	0.0	-58.82	354.27	4.58	-54.24
CC[C@@H]1[C@@H](C(=O)NC(CC(C)C)C2=N[N-]N=N2)CC[N@@H+]1C	REAL250004598478	1	47	0.0	-63.88	348.54	4.28	-59.60
CC[C@@H]1[C@@H](C(=O)NC(CC(C)C)C2=N[N-]N=N2)CC[N@H+]1C	REAL250004598478	1	47	0.0	-58.81	354.21	4.57	-54.24
CC(C)CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1=NN=N[N-]1	REAL250004598485	0	44	0.0	-65.74	328.33	3.57	-62.17
CC(C)CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1=NN=N[N-]1	REAL250004598485	1	44	0.0	-59.99	334.55	3.85	-56.14
CC(C)CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1=N[N-]N=N1	REAL250004598485	1	44	0.0	-65.67	328.27	3.56	-62.11
CC(C)CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1=N[N-]N=N1	REAL250004598485	1	44	0.0	-59.99	334.50	3.83	-56.16
CC(C)CC(NC(=O)C1CC[N@@H+]1C(C)(C)C)C1=NN=N[N-]1	REAL250004598501	1	47	0.0	-51.74	353.77	4.34	-47.40
CC(C)CC(NC(=O)C1CC[N@H+]1C(C)(C)C)C1=NN=N[N-]1	REAL250004598501	1	47	0.0	-53.13	337.97	3.17	-49.96
CC(C)CC(NC(=O)C12CC[N@H+](C1)CCC2)C1=NN=N[N-]1	REAL250004598512	0	45	0.0	-62.93	333.54	3.84	-59.09
CC(C)CC(NC(=O)C12CC[N@@H+](C1)CCC2)C1=NN=N[N-]1	REAL250004598512	1	45	0.0	-69.95	333.70	3.83	-66.12
CC(C)CC(NC(=O)C12CC[N@H+](C1)CCC2)C1=N[N-]N=N1	REAL250004598512	1	45	0.0	-62.95	333.48	3.82	-59.13
CC(C)CC(NC(=O)C12CC[N@@H+](C1)CCC2)C1=N[N-]N=N1	REAL250004598512	1	45	0.0	-69.95	333.65	3.82	-66.13
CC(C)CC(NC(=O)C1(C[NH+](C)C)CC1)C1=N[N-]N=N1	REAL250004598544	0	44	0.0	-66.64	344.13	4.38	-62.26
CC(C)CC(NC(=O)C1(C[NH+](C)C)CC1)C1=NN=N[N-]1	REAL250004598544	1	44	0.0	-66.65	344.19	4.40	-62.25
CC(C)CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004598560	0	41	0.0	-49.99	311.80	3.15	-46.84
CC(C)CC(NC(=O)[C@@H]1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004598560	1	41	0.0	-53.72	317.67	3.65	-50.07
CC(C)CC(NC(=O)[C@H]1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004598561	0	41	0.0	-51.60	318.03	3.66	-47.94
CC(C)CC(NC(=O)[C@H]1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004598561	1	41	0.0	-57.91	311.73	3.16	-54.75
CC(C)CC(NC(=O)[C@@H](C)[NH+](C)C)C1=NN=N[N-]1	REAL250004598562	0	40	0.0	-55.44	309.80	3.01	-52.43
CC(C)CC(NC(=O)C12CC[NH+](CC1)C2)C1=NN=N[N-]1	REAL250004598564	0	42	0.0	-62.83	323.43	3.13	-59.70
CC(C)CC(NC(=O)C12CC[NH+](CC1)C2)C1=N[N-]N=N1	REAL250004598564	1	42	0.0	-62.83	323.37	3.11	-59.72
CC1=C[NH+]=CN1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598576	1	39	0.0	-52.95	320.47	4.89	-48.06
CC1=C[NH+]=CN1CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598576	1	39	0.0	-52.92	320.41	4.88	-48.04
CC(C)CC(NC(=O)[C@H](C)[NH+](C)C)C1=NN=N[N-]1	REAL250004598593	0	40	0.0	-55.85	309.92	3.05	-52.80
CC(C)CC(NC(=O)C1C[N@H+](C)CC(C)O1)C1=NN=N[N-]1	REAL250004598596	1	45	0.0	-66.64	350.27	3.81	-62.83
CC(C)CC(NC(=O)C1C[N@@H+](C)CC(C)O1)C1=NN=N[N-]1	REAL250004598596	1	45	0.0	-66.93	343.11	3.36	-63.57
CC(C)CC(NC(=O)CCC1CCC[N@@H+]1C)C1=N[N-]N=N1	REAL250004598597	0	47	0.0	-59.28	353.61	4.60	-54.68
CC(C)CC(NC(=O)CCC1CCC[N@H+]1C)C1=N[N-]N=N1	REAL250004598597	1	47	0.0	-60.56	359.04	5.11	-55.45
CC(C)CC(NC(=O)CCC1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004598597	1	47	0.0	-59.26	353.67	4.61	-54.65
CC(C)CC(NC(=O)CCC1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004598597	1	47	0.0	-60.53	359.10	5.13	-55.40
CC(C)CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1=N[N-]N=N1	REAL250004598603	0	49	0.0	-53.04	361.45	5.15	-47.89
CC(C)CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1=N[N-]N=N1	REAL250004598603	1	49	0.0	-53.76	361.83	5.14	-48.62
CC(C)CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1=NN=N[N-]1	REAL250004598603	1	49	0.0	-53.05	361.51	5.17	-47.88
CC(C)CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1=NN=N[N-]1	REAL250004598603	1	49	0.0	-53.78	361.89	5.16	-48.62
C=C(CC[NH+](C)C)C(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL250004598606	0	44	0.0	-70.91	345.60	4.48	-66.43
C=C(CC[NH+](C)C)C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598606	1	44	0.0	-70.90	345.66	4.50	-66.40
CC(C)CC(NC(=O)C1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004598628	0	44	0.0	-67.24	336.28	4.24	-63.00
CC(C)CC(NC(=O)C1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004598628	1	44	0.0	-67.22	336.34	4.25	-62.97
CC[C@@H](C(=O)NC(CC(C)C)C1=NN=N[N-]1)[NH+](C)C	REAL250004598633	0	43	0.0	-53.45	322.54	3.61	-49.84
CC[C@H](C(=O)NC(CC(C)C)C1=NN=N[N-]1)[NH+](C)C	REAL250004598634	0	43	0.0	-52.33	321.10	3.64	-48.69
CC(C)CC(NC(=O)C1CCCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004598673	1	44	0.0	-54.57	333.70	4.19	-50.38
CC(C)CC(NC(=O)C1CCCC[N@H+]1C)C1=NN=N[N-]1	REAL250004598673	1	44	0.0	-51.36	324.40	4.04	-47.32
CC[N@@H+]1CCC1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598713	1	41	0.0	-52.06	316.61	3.35	-48.71
CC[N@H+]1CCC1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL250004598713	1	41	0.0	-55.08	323.37	3.61	-51.47
CC(C)CC(NC(=O)CC[N@@H+]1CCC(F)C1)C1=NN=N[N-]1	REAL250004598717	0	44	0.0	-62.69	346.36	4.40	-58.29
CC(C)CC(NC(=O)CC[N@H+]1CCC(F)C1)C1=NN=N[N-]1	REAL250004598717	1	44	0.0	-58.89	346.05	4.43	-54.46
CC(C)CC(NC(=O)C(C)CC[NH+](C)C)C1=N[N-]N=N1	REAL250004598720	0	46	0.0	-62.02	351.73	4.47	-57.55
CC(C)CC(NC(=O)C(C)CC[NH+](C)C)C1=NN=N[N-]1	REAL250004598720	1	46	0.0	-62.05	351.79	4.48	-57.57
CC(C)CC(NC(=O)C1CCC[N@@H+]1C(C)C)C1=NN=N[N-]1	REAL250004598770	0	47	0.0	-50.12	338.00	4.55	-45.57
CC(C)CC(NC(=O)C1CCC[N@H+]1C(C)C)C1=NN=N[N-]1	REAL250004598770	1	47	0.0	-50.64	353.59	4.79	-45.85
CC(C)CC(NC(=O)CC[NH2+]C(C)(C)C)C1=N[N-]N=N1	REAL250004598775	0	46	0.0	-61.29	352.16	2.92	-58.37
CC(C)CC(NC(=O)CC[NH2+]C(C)(C)C)C1=NN=N[N-]1	REAL250004598775	1	46	0.0	-61.30	352.22	2.93	-58.37
CC(C)CC(NC(=O)CC(O)C[NH+](C)C)C1=N[N-]N=N1	REAL250004598793	0	44	0.0	-66.40	344.40	1.56	-64.84
CC(C)CC(NC(=O)CC(O)C[NH+](C)C)C1=NN=N[N-]1	REAL250004598793	1	44	0.0	-66.36	344.46	1.57	-64.79
CC(C)CC(NC(=O)C(C)C[NH+](C)C)C1=N[N-]N=N1	REAL250004598794	0	43	0.0	-61.09	330.11	3.85	-57.24
CC(C)CC(NC(=O)C(C)C[NH+](C)C)C1=NN=N[N-]1	REAL250004598794	1	43	0.0	-61.09	330.16	3.86	-57.23
CC(C)CC(NC(=O)C=CC[NH+](C)C)C1=N[N-]N=N1	REAL250004598795	0	41	0.0	-64.11	327.66	3.80	-60.31
CC(C)CC(NC(=O)C=CC[NH+](C)C)C1=NN=N[N-]1	REAL250004598795	1	41	0.0	-64.10	327.72	3.82	-60.28
C=CCC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)[NH+](C)C	REAL250004598837	0	44	0.0	-47.62	335.14	4.11	-43.51
CC(C)CC(NC(=O)C1CCC[N@H+](C)C1)C1=NN=N[N-]1	REAL250004598843	0	44	0.0	-59.01	336.39	4.22	-54.79
CC(C)CC(NC(=O)C1CCC[N@@H+](C)C1)C1=NN=N[N-]1	REAL250004598843	1	44	0.0	-52.20	330.14	4.45	-47.75
CC(C)CC(NC(=O)C1CCC[N@H+](C)C1)C1=N[N-]N=N1	REAL250004598843	1	44	0.0	-59.02	336.33	4.21	-54.81
CC(C)CC(NC(=O)C1CCC[N@@H+](C)C1)C1=N[N-]N=N1	REAL250004598843	1	44	0.0	-52.21	330.08	4.43	-47.78
CC(C)CC(NC(=O)CC1=CC[N@H+](C)CC1)C1=N[N-]N=N1	REAL250004598861	0	45	0.0	-60.36	350.83	4.90	-55.46
CC(C)CC(NC(=O)CC1=CC[N@@H+](C)CC1)C1=N[N-]N=N1	REAL250004598861	1	45	0.0	-57.70	350.78	4.95	-52.75
CC(C)CC(NC(=O)CC1=CC[N@H+](C)CC1)C1=NN=N[N-]1	REAL250004598861	1	45	0.0	-60.34	350.89	4.92	-55.42
CC(C)CC(NC(=O)CC1=CC[N@@H+](C)CC1)C1=NN=N[N-]1	REAL250004598861	1	45	0.0	-57.70	350.84	4.96	-52.74
CC(C)CC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1=N[N-]N=N1	REAL250004599146	0	44	0.0	-58.26	341.36	4.31	-53.95
CC(C)CC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1=NN=N[N-]1	REAL250004599146	1	44	0.0	-58.25	341.42	4.32	-53.93
CC[N@@H+]1CCCC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004599163	0	47	0.0	-59.08	354.07	4.88	-54.20
CC[N@H+]1CCCC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL250004599163	1	47	0.0	-59.08	354.00	4.87	-54.21
CC[N@@H+]1CCCC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004599163	1	47	0.0	-59.10	354.01	4.87	-54.23
CC[N@H+]1CCCC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL250004599163	1	47	0.0	-59.08	353.94	4.85	-54.23
CC(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C[NH+](C)C	REAL250004599165	0	46	0.0	-71.88	337.75	4.52	-67.36
CC(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C[NH+](C)C	REAL250004599165	1	46	0.0	-71.86	337.81	4.54	-67.32
CN(CC1CCC[N@H+](C)C1)C(=O)CCCC1=N[N-]N=N1	REAL250004599166	0	44	0.0	-69.25	333.71	5.55	-63.70
CN(CC1CCC[N@@H+](C)C1)C(=O)CCCC1=N[N-]N=N1	REAL250004599166	1	44	0.0	-69.22	333.69	5.57	-63.65
CN(CC1CCC[N@H+](C)C1)C(=O)CCCC1=NN=N[N-]1	REAL250004599166	1	44	0.0	-69.29	333.77	5.56	-63.73
CN(CC1CCC[N@@H+](C)C1)C(=O)CCCC1=NN=N[N-]1	REAL250004599166	1	44	0.0	-69.26	333.75	5.58	-63.68
C#CC[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004599205	1	40	0.0	-68.99	314.81	5.90	-63.09
C#CC[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004599205	1	40	0.0	-68.99	314.79	5.92	-63.07
CC(NC(=O)CCCC1=N[N-]N=N1)C1C[N@H+](C)CCN1C	REAL250004599223	0	46	0.0	-75.67	346.78	2.18	-73.49
CC(NC(=O)CCCC1=N[N-]N=N1)C1C[N@@H+](C)CCN1C	REAL250004599223	1	46	0.0	-75.68	346.41	2.18	-73.50
CC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@H+](C)CCN1C	REAL250004599223	1	46	0.0	-75.68	346.83	2.20	-73.48
CC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@@H+](C)CCN1C	REAL250004599223	1	46	0.0	-75.72	346.47	2.19	-73.53
O=C(CCCC1=N[N-]N=N1)N1CCC(C[NH+]2CCCC2)C1	REAL250004599227	0	45	0.0	-74.02	346.52	5.96	-68.06
O=C(CCCC1=NN=N[N-]1)N1CCC(C[NH+]2CCCC2)C1	REAL250004599227	1	45	0.0	-74.03	346.58	5.97	-68.06
CC[N@@H+]1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004599269	0	47	0.0	-68.75	334.58	5.95	-62.80
CC[N@H+]1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004599269	1	47	0.0	-70.67	331.51	5.73	-64.94
CC[N@@H+]1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004599269	1	47	0.0	-68.77	334.64	5.96	-62.81
CC[N@H+]1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004599269	1	47	0.0	-70.69	331.57	5.75	-64.94
CC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1C	REAL250004599279	0	44	0.0	-71.27	323.37	4.95	-66.32
CC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1C	REAL250004599279	1	44	0.0	-71.28	323.36	4.96	-66.32
CC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1C	REAL250004599279	1	44	0.0	-71.26	323.43	4.97	-66.29
CC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1C	REAL250004599279	1	44	0.0	-71.31	323.42	4.97	-66.34
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CC=CC1	REAL250004599282	0	36	0.0	-69.88	294.32	2.69	-67.19
O=C(NCC[NH+]1CC=CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004599283	0	39	0.0	-74.98	318.61	5.59	-69.39
O=C(NCC[NH+]1CC=CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004599284	1	36	0.0	-59.41	304.93	2.48	-56.93
CN(CCCC[NH+](C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004599298	0	43	0.0	-68.01	338.22	5.43	-62.58
CN(CCCC[NH+](C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004599298	1	43	0.0	-68.04	338.28	5.45	-62.59
CC1C[N@H+](C)CCC1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004599305	0	44	0.0	-72.46	333.55	5.72	-66.74
CC1C[N@@H+](C)CCC1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004599305	1	44	0.0	-73.04	325.92	5.28	-67.76
CC1C[N@H+](C)CCC1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004599305	1	44	0.0	-72.51	333.60	5.74	-66.77
CC1C[N@@H+](C)CCC1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004599305	1	44	0.0	-73.05	325.98	5.30	-67.75
CC1=[NH+]C=CN1CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004599311	1	42	0.0	-67.23	347.29	4.88	-62.35
CC(C)C1C[N@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004599320	0	44	0.0	-74.43	320.63	4.94	-69.49
CC(C)C1C[N@@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004599320	1	44	0.0	-74.03	320.93	4.97	-69.06
CC(C)C1C[N@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004599320	1	44	0.0	-74.51	320.68	4.95	-69.56
CC(C)C1C[N@@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004599320	1	44	0.0	-74.07	320.98	4.98	-69.09
CC[N@@H+]1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004599327	0	47	0.0	-67.69	337.14	5.87	-61.82
CC[N@H+]1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004599327	1	47	0.0	-69.40	341.29	5.60	-63.80
CC[N@@H+]1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004599327	1	47	0.0	-67.68	337.19	5.89	-61.79
CC[N@H+]1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004599327	1	47	0.0	-69.38	341.34	5.61	-63.77
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O=C(NC1=NN=N[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL250004600600	0	39	0.0	-68.70	308.69	7.45	-61.25
O=C(NC1=N[N-]N=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL250004600600	1	39	0.0	-68.66	308.77	7.44	-61.22
O=C(NC1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL250004600601	0	39	0.0	-59.21	308.77	7.41	-51.80
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CC(C)C(C(=O)NC1=NN=N[N-]1)[NH+]1CCCCC1	REAL250004600602	0	38	0.0	-52.49	277.28	6.10	-46.39
CC[NH+](CC)CC1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004600679	0	35	0.0	-66.28	287.94	5.39	-60.89
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600687	0	41	0.0	-72.11	317.16	7.49	-64.62
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004600687	1	41	0.0	-72.57	323.15	7.83	-64.74
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600687	1	41	0.0	-72.06	317.26	7.47	-64.59
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004600687	1	41	0.0	-72.50	323.25	7.81	-64.69
O=C(NC1=NN=N[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL250004600700	0	39	0.0	-68.70	308.69	7.45	-61.25
O=C(NC1=N[N-]N=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL250004600700	1	39	0.0	-68.66	308.77	7.44	-61.22
CC[N@H+](CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1)C(C)C	REAL250004600704	0	41	0.0	-69.47	310.74	7.16	-62.31
CC[N@@H+](CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1)C(C)C	REAL250004600704	1	41	0.0	-72.98	305.90	7.07	-65.91
CC[N@H+](CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1)C(C)C	REAL250004600704	1	41	0.0	-69.38	310.84	7.14	-62.24
CC[N@@H+](CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1)C(C)C	REAL250004600704	1	41	0.0	-72.88	306.00	7.06	-65.82
CC[NH+](CC)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004600796	0	38	0.0	-52.71	286.34	6.49	-46.22
CCC[NH+](CCC)CCCC(=O)NC1=N[N-]N=N1	REAL250004600817	0	40	0.0	-62.96	305.80	6.14	-56.82
CCC[NH+](CCC)CCCC(=O)NC1=NN=N[N-]1	REAL250004600817	1	40	0.0	-63.06	305.71	6.15	-56.91
CC[N@H+](C)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004600818	1	35	0.0	-49.66	280.72	6.34	-43.32
CC[N@@H+](C)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004600818	1	35	0.0	-52.98	275.15	6.17	-46.81
C[NH+](C)CCN1CC(C(=O)NC2=N[N-]N=N2)CC1=O	REAL250004600858	0	36	0.0	-67.08	294.49	3.66	-63.42
C[NH+](C)CCN1CC(C(=O)NC2=NN=N[N-]2)CC1=O	REAL250004600858	1	36	0.0	-67.20	294.40	3.68	-63.52
C[NH+](C)CC1=C(C(=O)NC2=NN=N[N-]2)OC2=CC=CC=C21	REAL250004600956	0	35	0.0	-50.67	286.86	6.05	-44.62
C[NH+](C)CC1=C(C(=O)NC2=N[N-]N=N2)OC2=CC=CC=C21	REAL250004600956	1	35	0.0	-50.58	286.96	6.04	-44.54
O=C(NC1=NN=N[N-]1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL250004600970	0	32	0.0	-70.68	276.84	4.85	-65.83
O=C(NC1=N[N-]N=N1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL250004600970	1	32	0.0	-70.59	276.94	4.85	-65.74
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O=C(NC1=NN=N[N-]1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL250004600996	1	37	0.0	-57.06	300.88	3.63	-53.43
CC(C(=O)NC1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL250004601028	1	35	0.0	-56.00	282.54	6.22	-49.78
CC(C(=O)NC1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL250004601028	1	35	0.0	-55.74	282.51	6.24	-49.50
CC[NH+]1CCN(CCC(=O)NC2=N[N-]N=N2)CC1	REAL250004601068	0	37	0.0	-64.50	285.82	2.84	-61.66
CC[NH+]1CCN(CCC(=O)NC2=NN=N[N-]2)CC1	REAL250004601068	1	37	0.0	-64.58	285.73	2.85	-61.73
O=C(NC1=NN=N[N-]1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL250004601071	1	39	0.0	-51.96	306.31	7.37	-44.59
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CC[NH+](CC)CCSCC(=O)NC1=N[N-]N=N1	REAL250004601087	0	35	0.0	-66.42	285.86	5.25	-61.17
CC[NH+](CC)CCSCC(=O)NC1=NN=N[N-]1	REAL250004601087	1	35	0.0	-66.52	285.77	5.25	-61.27
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1=NN=N[N-]1	REAL250004601095	0	40	0.0	-63.10	280.55	3.89	-59.21
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1=N[N-]N=N1	REAL250004601095	1	40	0.0	-62.97	280.65	3.88	-59.09
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NC1=NN=N[N-]1	REAL250004601186	0	39	0.0	-67.62	312.78	7.44	-60.18
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O=C(NC1=NN=N[N-]1)C1CC[N@H+](C2CCCCC2)C1	REAL250004601202	1	39	0.0	-60.46	294.21	6.14	-54.32
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C[NH+](C)CC1=C(C(=O)NC2=NN=N[N-]2)SC=C1	REAL250004601317	1	29	0.0	-47.77	253.34	4.84	-42.93
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C[NH+](C)CC1(C(=O)NC2=N[N-]N=N2)CCCCC1	REAL250004601720	0	38	0.0	-58.35	272.18	5.78	-52.57
C[NH+](C)CC1(C(=O)NC2=NN=N[N-]2)CCCCC1	REAL250004601720	1	38	0.0	-58.40	272.08	5.79	-52.61
C[N@H+](CCC(=O)NC1=N[N-]N=N1)C1CCCCC1	REAL250004601726	0	38	0.0	-61.24	286.13	5.82	-55.42
C[N@@H+](CCC(=O)NC1=N[N-]N=N1)C1CCCCC1	REAL250004601726	1	38	0.0	-61.25	286.13	5.80	-55.45
C[N@H+](CCC(=O)NC1=NN=N[N-]1)C1CCCCC1	REAL250004601726	1	38	0.0	-61.35	286.04	5.83	-55.52
C[N@@H+](CCC(=O)NC1=NN=N[N-]1)C1CCCCC1	REAL250004601726	1	38	0.0	-61.32	286.04	5.81	-55.51
C[NH+](C)C(CC(=O)NC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004601800	0	35	0.0	-66.23	277.47	6.22	-60.01
C[NH+](C)C(CC(=O)NC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004601800	1	35	0.0	-66.33	277.38	6.24	-60.09
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O=C(CCCC[NH+]1CCOCC1)NC1=NN=N[N-]1	REAL250004601871	1	36	0.0	-67.53	285.89	3.82	-63.71
O=C(NC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL250004602101	0	39	0.0	-73.30	307.31	7.56	-65.74
O=C(NC1=N[N-]N=N1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL250004602101	1	39	0.0	-73.21	307.41	7.55	-65.66
O=C(NC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL250004602121	0	36	0.0	-73.07	290.57	6.86	-66.21
O=C(NC1=N[N-]N=N1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL250004602121	1	36	0.0	-72.96	290.67	6.84	-66.12
CC[NH+](CC)CC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602130	0	38	0.0	-71.93	295.50	6.74	-65.19
CC[NH+](CC)CC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602130	1	38	0.0	-71.86	295.57	6.71	-65.15
O=C(NC1=NN=N[N-]1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL250004602179	0	39	0.0	-57.12	302.21	6.85	-50.27
O=C(NC1=N[N-]N=N1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL250004602179	1	39	0.0	-57.01	302.30	6.84	-50.17
C[NH+](C)CCC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004602331	0	35	0.0	-75.97	288.24	6.55	-69.42
C[NH+](C)CCC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004602331	1	35	0.0	-75.87	288.34	6.54	-69.33
O=C(NC1=NN=N[N-]1)C1=NOC(C[NH+]2CCCC2)=C1	REAL250004602359	1	32	0.0	-69.68	272.09	4.39	-65.29
O=C(NC1=NN=N[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL250004602441	0	37	0.0	-70.54	291.41	6.11	-64.43
O=C(NC1=N[N-]N=N1)C1CC[NH+](C2CCSC2)CC1	REAL250004602441	1	37	0.0	-70.39	291.51	6.09	-64.30
O=C(NC1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL250004602447	0	36	0.0	-60.91	292.32	6.67	-54.24
O=C(NC1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL250004602447	1	36	0.0	-61.54	292.55	6.73	-54.81
O=C(NC1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL250004602447	1	36	0.0	-60.86	292.42	6.66	-54.20
O=C(NC1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL250004602447	1	36	0.0	-61.46	292.65	6.72	-54.74
O=C(NC1=NN=N[N-]1)C1C[NH+](C2CCCCC2)C1	REAL250004602508	0	36	0.0	-60.37	280.01	5.55	-54.82
O=C(NC1=N[N-]N=N1)C1C[NH+](C2CCCCC2)C1	REAL250004602508	1	36	0.0	-60.27	280.10	5.54	-54.73
C[N@@H+]1C[C@H](C(=O)NC2=NN=N[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL250004602513	0	36	0.0	-69.51	291.73	6.51	-63.00
C[N@H+]1C[C@H](C(=O)NC2=NN=N[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL250004602513	1	36	0.0	-63.12	290.44	6.58	-56.54
C[N@@H+]1C[C@H](C(=O)NC2=N[N-]N=N2)[C@@H](C2=CC=CC=C2)C1	REAL250004602513	1	36	0.0	-69.42	291.82	6.50	-62.92
C[N@H+]1C[C@H](C(=O)NC2=N[N-]N=N2)[C@@H](C2=CC=CC=C2)C1	REAL250004602513	1	36	0.0	-62.99	290.54	6.56	-56.43
CC(C)[NH+]1CCN(CCC(=O)NC2=N[N-]N=N2)CC1	REAL250004602514	0	40	0.0	-62.84	303.07	3.39	-59.45
CC(C)[NH+]1CCN(CCC(=O)NC2=NN=N[N-]2)CC1	REAL250004602514	1	40	0.0	-62.91	302.97	3.40	-59.51
CC(C)[NH+]1CCN(CCCC(=O)NC2=N[N-]N=N2)CC1	REAL250004602517	0	43	0.0	-62.33	324.57	4.18	-58.15
CC(C)[NH+]1CCN(CCCC(=O)NC2=NN=N[N-]2)CC1	REAL250004602517	1	43	0.0	-62.40	324.47	4.20	-58.20
CC(C)N1CC[NH+](CCCC(=O)NC2=NN=N[N-]2)CC1	REAL250004602517	1	43	0.0	-63.56	321.29	4.04	-59.52
C[NH+](C)CCN1C=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004602533	0	32	0.0	-71.81	271.92	3.73	-68.08
C[NH+](C)CCN1C=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004602533	1	32	0.0	-71.72	272.02	3.72	-68.00
O=C(NC1=NN=N[N-]1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL250004602542	0	39	0.0	-66.24	307.32	7.56	-58.68
O=C(NC1=N[N-]N=N1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL250004602542	1	39	0.0	-66.14	307.42	7.54	-58.60
C[NH+](C)CCN1C=CC(C(=O)NC2=NN=N[N-]2)=N1	REAL250004602606	0	32	0.0	-76.29	272.29	3.73	-72.56
C[NH+](C)CCN1C=CC(C(=O)NC2=N[N-]N=N2)=N1	REAL250004602606	1	32	0.0	-76.26	272.39	3.74	-72.52
C[NH+](C)CCN1N=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004602607	0	32	0.0	-50.53	267.61	3.67	-46.86
C[NH+](C)CCN1N=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004602607	1	32	0.0	-50.38	267.71	3.67	-46.71
C[N@@H+]1CC[C@H](C(=O)NC2=NN=N[N-]2)[C@@H]1C1=CC=CC=C1	REAL250004602650	0	36	0.0	-61.05	268.11	5.82	-55.23
C[N@H+]1CC[C@H](C(=O)NC2=NN=N[N-]2)[C@@H]1C1=CC=CC=C1	REAL250004602650	1	36	0.0	-65.24	285.53	6.54	-58.70
C[N@@H+]1CC[C@H](C(=O)NC2=N[N-]N=N2)[C@@H]1C1=CC=CC=C1	REAL250004602650	1	36	0.0	-60.94	268.20	5.80	-55.14
C[N@H+]1CC[C@H](C(=O)NC2=N[N-]N=N2)[C@@H]1C1=CC=CC=C1	REAL250004602650	1	36	0.0	-65.15	285.63	6.53	-58.62
O=C(NC1=NN=N[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL250004602651	0	32	0.0	-67.23	265.97	2.93	-64.30
O=C(NC1=N[N-]N=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL250004602651	1	32	0.0	-67.13	266.06	2.92	-64.21
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=NN=N[N-]2)=NN1	REAL250004602686	1	33	0.0	-71.23	273.39	3.31	-67.92
C[N@H+]1CCCC1C1=CC(C(=O)NC2=NN=N[N-]2)=NN1	REAL250004602686	1	33	0.0	-68.55	268.70	2.82	-65.73
C[NH+](C)C(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004602689	1	32	0.0	-54.23	279.08	6.23	-48.00
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004602810	0	39	0.0	-66.73	295.53	4.37	-62.36
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=NN=N[N-]2)C=N1	REAL250004602810	1	39	0.0	-68.55	293.65	4.29	-64.26
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004602810	1	39	0.0	-66.61	295.62	4.36	-62.25
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=N[N-]N=N2)C=N1	REAL250004602810	1	39	0.0	-68.38	293.74	4.28	-64.10
O=C(NC1=NN=N[N-]1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL250004602816	0	33	0.0	-64.99	276.48	4.50	-60.49
O=C(NC1=N[N-]N=N1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL250004602816	1	33	0.0	-64.88	276.57	4.50	-60.38
O=C(NC1=NN=N[N-]1)C1C[NH+](C2CCOCC2)C1	REAL250004602857	0	34	0.0	-61.09	270.52	3.20	-57.89
O=C(NC1=N[N-]N=N1)C1C[NH+](C2CCOCC2)C1	REAL250004602857	1	34	0.0	-61.00	270.62	3.19	-57.81
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=NN=N[N-]1	REAL250004602864	1	35	0.0	-58.78	286.76	6.65	-52.13
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=NN=N[N-]1	REAL250004602864	1	35	0.0	-58.78	286.76	6.65	-52.13
COCCOCC[N@H+](C)CCC(=O)NC1=N[N-]N=N1	REAL250004602865	0	39	0.0	-60.98	315.85	2.83	-58.15
COCCOCC[N@@H+](C)CCC(=O)NC1=N[N-]N=N1	REAL250004602865	1	39	0.0	-62.46	315.90	2.84	-59.62
COCCOCC[N@H+](C)CCC(=O)NC1=NN=N[N-]1	REAL250004602865	1	39	0.0	-61.12	315.76	2.85	-58.27
COCCOCC[N@@H+](C)CCC(=O)NC1=NN=N[N-]1	REAL250004602865	1	39	0.0	-62.50	315.80	2.85	-59.65
O=C(NC1=N[N-]N=N1)C1CCC([NH+]2CCOCC2)CC1	REAL250004603008	0	40	0.0	-55.97	292.91	4.32	-51.65
O=C(NC1=NN=N[N-]1)C1CCC([NH+]2CCOCC2)CC1	REAL250004603008	1	40	0.0	-56.04	292.82	4.34	-51.70
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=NN=N[N-]1	REAL250004603012	1	36	0.0	-56.09	268.45	3.31	-52.78
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004603157	1	37	0.0	-58.43	306.14	1.49	-56.94
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004603157	1	37	0.0	-59.49	306.93	1.43	-58.06
C[NH+](C)CCC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603293	0	35	0.0	-69.53	288.25	6.54	-62.99
C[NH+](C)CCC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603293	1	35	0.0	-69.44	288.35	6.52	-62.92
O=C(NC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCC2)O1	REAL250004603305	1	33	0.0	-67.91	277.51	5.16	-62.75
C[N@@H+]1CC(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)C1	REAL250004603306	0	29	0.0	-66.20	251.57	3.96	-62.24
C[N@H+]1CC(C(=O)NC2=NN=N[N-]2)C(C(F)(F)F)C1	REAL250004603306	1	29	0.0	-67.81	252.06	3.97	-63.84
CC(C)C[NH+]1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004603405	0	38	0.0	-65.04	288.69	5.97	-59.07
CC(C)C[NH+]1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004603405	1	38	0.0	-64.99	288.78	5.96	-59.03
CC1CC2CCC(C(=O)NC3=NN=N[N-]3)C[N@@H+]2C1	REAL250004603423	0	36	0.0	-52.42	269.86	5.75	-46.67
CC1CC2CCC(C(=O)NC3=NN=N[N-]3)C[N@H+]2C1	REAL250004603423	1	36	0.0	-49.92	269.86	5.79	-44.13
CC1CC2CCC(C(=O)NC3=N[N-]N=N3)C[N@@H+]2C1	REAL250004603423	1	36	0.0	-52.31	269.95	5.73	-46.58
CC1CC2CCC(C(=O)NC3=N[N-]N=N3)C[N@H+]2C1	REAL250004603423	1	36	0.0	-49.78	269.95	5.78	-44.00
O=C(NC1=NN=N[N-]1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL250004603424	0	36	0.0	-62.27	257.99	4.98	-57.29
O=C(NC1=NN=N[N-]1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL250004603424	1	36	0.0	-52.22	262.36	5.68	-46.54
O=C(NC1=N[N-]N=N1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL250004603424	1	36	0.0	-62.12	258.09	4.97	-57.15
O=C(NC1=N[N-]N=N1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL250004603424	1	36	0.0	-52.13	262.45	5.67	-46.46
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=NN=N[N-]1	REAL250004603459	0	39	0.0	-64.18	309.30	7.24	-56.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=NN=N[N-]1	REAL250004603459	1	39	0.0	-67.15	312.07	7.29	-59.86
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=N[N-]N=N1	REAL250004603459	1	39	0.0	-64.02	309.38	7.23	-56.79
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=N[N-]N=N1	REAL250004603459	1	39	0.0	-67.06	312.17	7.28	-59.78
O=C(NC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL250004603508	1	36	0.0	-67.96	292.68	5.81	-62.15
O=C(NC1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL250004603709	0	36	0.0	-60.91	292.32	6.67	-54.24
O=C(NC1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL250004603709	1	36	0.0	-61.54	292.55	6.73	-54.81
O=C(NC1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL250004603709	1	36	0.0	-60.86	292.42	6.66	-54.20
O=C(NC1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL250004603709	1	36	0.0	-61.46	292.65	6.72	-54.74
O=C(NC1=NN=N[N-]1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL250004603851	0	40	0.0	-66.38	316.08	7.70	-58.68
O=C(NC1=NN=N[N-]1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL250004603851	1	40	0.0	-67.94	318.52	7.64	-60.30
O=C(NC1=N[N-]N=N1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL250004603851	1	40	0.0	-66.25	316.17	7.69	-58.56
O=C(NC1=N[N-]N=N1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL250004603851	1	40	0.0	-67.89	318.61	7.63	-60.26
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=NN=N[N-]2)C1	REAL250004603940	0	38	0.0	-52.76	277.72	5.33	-47.43
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=NN=N[N-]2)C1	REAL250004603940	1	38	0.0	-55.96	269.17	5.01	-50.95
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=N[N-]N=N2)C1	REAL250004603940	1	38	0.0	-52.68	277.81	5.32	-47.36
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=N[N-]N=N2)C1	REAL250004603940	1	38	0.0	-55.91	269.26	5.00	-50.91
NC1=C(Br)C=[NH+]C=C1C(=O)NC1=NN=N[N-]1	REAL250004604156	1	22	0.0	-56.32	214.45	1.40	-54.92
O=C(NC1=NN=N[N-]1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL250004604157	0	30	0.0	-75.22	247.35	1.93	-73.29
C[NH+](C)CCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004604504	0	36	0.0	-72.33	295.54	5.50	-66.83
C[NH+](C)CCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004604504	1	36	0.0	-72.24	295.64	5.50	-66.74
CC(C)C[N@@H+]1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004604684	0	38	0.0	-58.35	288.88	5.92	-52.43
CC(C)C[N@H+]1CCCC(C(=O)NC2=NN=N[N-]2)C1	REAL250004604684	1	38	0.0	-59.97	289.18	5.91	-54.06
CC(C)C[N@@H+]1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004604684	1	38	0.0	-58.35	288.88	5.92	-52.43
CC(C)C[N@H+]1CCCC(C(=O)NC2=N[N-]N=N2)C1	REAL250004604684	1	38	0.0	-59.97	289.18	5.91	-54.06
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCC(O)CC1	REAL250004604702	0	45	0.0	-74.33	351.35	1.07	-73.26
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCC(O)CC1	REAL250004604702	1	45	0.0	-74.38	351.40	1.08	-73.30
CC(CNC(=O)CCCC1=N[N-]N=N1)CN1CCOCC1	REAL250004604706	0	45	0.0	-72.66	347.00	2.80	-69.86
CC(CNC(=O)CCCC1=NN=N[N-]1)CN1CCOCC1	REAL250004604706	1	45	0.0	-72.69	347.06	2.81	-69.88
CC(CNC(=O)CCCC1=N[N-]N=N1)C[NH+]1CCOCC1	REAL250004604706	1	45	0.0	-72.66	347.00	2.80	-69.86
CC(CNC(=O)CCCC1=NN=N[N-]1)C[NH+]1CCOCC1	REAL250004604706	1	45	0.0	-72.69	347.06	2.81	-69.88
C#CCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004604709	0	43	0.0	-73.34	345.20	4.93	-68.41
C#CCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004604709	1	43	0.0	-73.44	345.25	4.94	-68.50
CCCN(CC[NH+](C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004604710	0	43	0.0	-65.51	336.69	5.57	-59.94
CCCN(CC[NH+](C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004604710	1	43	0.0	-65.52	336.75	5.59	-59.93
CC1CC[N@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004604738	0	41	0.0	-69.08	322.98	3.54	-65.54
CC1CC[N@@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004604738	1	41	0.0	-69.09	322.97	3.54	-65.55
CC1CC[N@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004604738	1	41	0.0	-69.08	322.98	3.54	-65.54
CC1CC[N@@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004604738	1	41	0.0	-69.09	322.97	3.54	-65.55
C[NH+]1CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004604757	0	42	0.0	-73.22	326.41	0.83	-72.39
C[NH+]1CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004604757	1	42	0.0	-73.21	326.47	0.84	-72.37
CN(CCC1CCCC[N@@H+]1C)C(=O)CCCC1=N[N-]N=N1	REAL250004604790	0	47	0.0	-66.71	354.34	6.22	-60.49
CN(CCC1CCCC[N@H+]1C)C(=O)CCCC1=N[N-]N=N1	REAL250004604790	1	47	0.0	-66.36	353.74	6.23	-60.13
CN(CCC1CCCC[N@@H+]1C)C(=O)CCCC1=NN=N[N-]1	REAL250004604790	1	47	0.0	-66.71	354.34	6.22	-60.49
CN(CCC1CCCC[N@H+]1C)C(=O)CCCC1=NN=N[N-]1	REAL250004604790	1	47	0.0	-66.36	353.74	6.23	-60.13
CC[NH+](CC)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604813	0	47	0.0	-73.70	351.85	5.87	-67.83
CC[NH+](CC)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604813	1	47	0.0	-73.72	351.91	5.89	-67.83
CCC[N@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604819	0	47	0.0	-75.00	359.92	6.19	-68.81
CCC[N@@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604819	1	47	0.0	-75.03	359.91	6.20	-68.83
CCC[N@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604819	1	47	0.0	-75.00	359.92	6.19	-68.81
CCC[N@@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604819	1	47	0.0	-75.03	359.91	6.20	-68.83
C[NH+](C)C1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004604840	0	44	0.0	-75.70	330.23	4.55	-71.15
C[NH+](C)C1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004604840	1	44	0.0	-75.71	330.28	4.57	-71.14
COCCC[N@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004604875	0	44	0.0	-73.25	350.09	2.24	-71.01
COCCC[N@@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004604875	1	44	0.0	-73.23	350.08	2.25	-70.98
COCCC[N@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004604875	1	44	0.0	-73.25	350.09	2.24	-71.01
COCCC[N@@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004604875	1	44	0.0	-73.23	350.08	2.25	-70.98
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC[N@H+](C)C1	REAL250004604880	0	41	0.0	-67.90	313.84	4.80	-63.10
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC[N@@H+](C)C1	REAL250004604880	1	41	0.0	-60.95	302.70	4.90	-56.05
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC[N@H+](C)C1	REAL250004604880	1	41	0.0	-67.90	313.84	4.80	-63.10
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC[N@@H+](C)C1	REAL250004604880	1	41	0.0	-60.95	302.70	4.90	-56.05
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1C	REAL250004604886	0	41	0.0	-69.85	310.01	3.19	-66.66
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CC[N@H+]1C	REAL250004604886	1	41	0.0	-68.18	317.08	3.50	-64.68
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1C	REAL250004604886	1	41	0.0	-69.85	310.01	3.19	-66.66
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CC[N@H+]1C	REAL250004604886	1	41	0.0	-68.18	317.08	3.50	-64.68
CC[N@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604887	0	44	0.0	-74.28	338.42	5.45	-68.83
CC[N@@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604887	1	44	0.0	-74.28	338.41	5.46	-68.82
CC[N@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604887	1	44	0.0	-74.28	338.42	5.45	-68.83
CC[N@@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604887	1	44	0.0	-74.28	338.41	5.46	-68.82
CC[NH+](CC)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004604890	0	44	0.0	-69.52	331.54	5.03	-64.49
CC[NH+](CC)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004604890	1	44	0.0	-69.53	331.60	5.04	-64.49
C[N@@H+]1C2CCC1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004604896	0	42	0.0	-64.50	296.83	4.68	-59.82
C[N@H+]1C2CCC1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004604896	1	42	0.0	-62.74	309.92	5.32	-57.42
C[N@@H+]1C2CCC1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004604896	1	42	0.0	-64.50	296.83	4.68	-59.82
C[N@H+]1C2CCC1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004604896	1	42	0.0	-62.74	309.92	5.32	-57.42
COC1CC[NH+](CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004604902	0	45	0.0	-72.98	351.46	2.64	-70.34
COC1CC[NH+](CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004604902	1	45	0.0	-72.99	351.52	2.65	-70.34
CN(CC[NH+](C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004604905	0	40	0.0	-61.34	317.42	6.52	-54.82
CN(CC[NH+](C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004604905	1	40	0.0	-61.18	317.51	6.54	-54.64
CN(CC[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004604906	0	37	0.0	-58.90	302.90	4.29	-54.61
CN(CC[NH+](C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004604906	1	37	0.0	-58.88	302.98	4.32	-54.56
CCC[N@H+](CC)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004604923	0	43	0.0	-68.51	334.39	3.87	-64.64
CCC[N@@H+](CC)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004604923	1	43	0.0	-68.76	329.90	3.58	-65.18
CCC[N@H+](CC)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004604923	1	43	0.0	-68.51	334.39	3.87	-64.64
CCC[N@@H+](CC)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004604923	1	43	0.0	-68.76	329.90	3.58	-65.18
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCSC1	REAL250004604942	0	42	0.0	-70.14	322.10	3.84	-66.30
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCSC1	REAL250004604942	1	42	0.0	-70.19	322.15	3.86	-66.33
CC[NH+](CC)CCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004604960	0	46	0.0	-69.78	355.83	4.70	-65.08
CC[NH+](CC)CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004604960	1	46	0.0	-69.82	355.88	4.71	-65.11
CN(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=[NH+]1	REAL250004604969	0	37	0.0	-58.08	302.33	3.59	-54.49
CCCC(NC(=O)CCCC[NH+]1CCCC1)C1=N[N-]N=N1	REAL250004605382	0	47	0.0	-63.33	365.82	5.35	-57.98
CCCC(NC(=O)CCCC[NH+]1CCCC1)C1=NN=N[N-]1	REAL250004605382	1	47	0.0	-63.34	365.88	5.36	-57.98
CCCC(NC(=O)C[NH+](CC)CC)C1=NN=N[N-]1	REAL250004605400	0	40	0.0	-51.90	310.66	3.41	-48.49
C#CC[NH+]1CCC(C(=O)NC(CCC)C2=NN=N[N-]2)CC1	REAL250004605407	0	43	0.0	-65.96	343.80	4.86	-61.10
CCCC(NC(=O)C[N@H+](C)C(C)C)C1=NN=N[N-]1	REAL250004605410	0	40	0.0	-51.06	308.97	3.26	-47.80
CCCC(NC(=O)C[N@@H+](C)C(C)C)C1=NN=N[N-]1	REAL250004605410	1	40	0.0	-51.93	308.97	3.25	-48.68
CCCC(NC(=O)C[NH2+]C(C)(C)C)C1=N[N-]N=N1	REAL250004605429	0	40	0.0	-52.30	313.45	1.76	-50.54
CCCC(NC(=O)C[NH2+]C(C)(C)C)C1=NN=N[N-]1	REAL250004605429	1	40	0.0	-52.30	313.50	1.78	-50.52
CCCC(NC(=O)CC[NH+]1CCOCC1)C1=NN=N[N-]1	REAL250004605433	1	42	0.0	-61.25	329.82	2.06	-59.19
CCCC(NC(=O)CCCN1C=C[NH+]=C1C)C1=N[N-]N=N1	REAL250004605452	1	42	0.0	-58.13	345.45	4.93	-53.20
CCCC(NC(=O)CCCN1C=C[NH+]=C1C)C1=NN=N[N-]1	REAL250004605452	1	42	0.0	-58.12	345.51	4.96	-53.16
CCCC(NC(=O)C(C)[NH+]1C(C)CCC1C)C1=NN=N[N-]1	REAL250004605455	0	47	0.0	-50.28	345.24	4.41	-45.87
CCCC(NC(=O)CCCC[NH+](C)C)C1=N[N-]N=N1	REAL250004605486	0	43	0.0	-65.06	339.85	4.18	-60.88
CCCC(NC(=O)CCCC[NH+](C)C)C1=NN=N[N-]1	REAL250004605486	1	43	0.0	-65.06	339.91	4.19	-60.87
CCCCCC[N@H+](C)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605488	0	49	0.0	-54.92	378.27	5.81	-49.11
CCCCCC[N@@H+](C)CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605488	1	49	0.0	-54.90	378.28	5.80	-49.10
CCCC(NC(=O)C[N@H+](C)CCC)C1=NN=N[N-]1	REAL250004605498	0	40	0.0	-53.83	313.78	3.46	-50.37
CCCC(NC(=O)C[N@@H+](C)CCC)C1=NN=N[N-]1	REAL250004605498	1	40	0.0	-53.76	313.78	3.47	-50.29
CCCC(NC(=O)C(C)N1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004605505	1	46	0.0	-62.11	347.75	1.88	-60.23
CCCC(NC(=O)C(C)N1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004605505	1	46	0.0	-62.17	347.81	1.89	-60.28
CCCC(NC(=O)C(C)[NH+]1CCCCCC1)C1=NN=N[N-]1	REAL250004605530	0	47	0.0	-52.13	345.65	4.83	-47.30
CCCC(NC(=O)C1C[N@H+](CC)CCO1)C1=NN=N[N-]1	REAL250004605544	1	42	0.0	-47.56	322.55	2.99	-44.57
CCCC(NC(=O)C1C[N@@H+](CC)CCO1)C1=NN=N[N-]1	REAL250004605544	1	42	0.0	-69.83	329.73	3.15	-66.68
CCCC(NC(=O)C1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004605569	0	38	0.0	-52.88	300.62	3.09	-49.79
CCCC(NC(=O)C1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004605569	1	38	0.0	-49.84	294.55	2.61	-47.23
CCCC(NC(=O)C[NH+]1C(C)CCC1C)C1=NN=N[N-]1	REAL250004605588	0	44	0.0	-50.20	331.31	3.93	-46.27
CCCC(NC(=O)C1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004605603	0	41	0.0	-66.92	319.08	3.70	-63.22
CCCC(NC(=O)C1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004605603	1	41	0.0	-66.94	319.13	3.71	-63.23
CCCC(NC(=O)C(CC)[NH+](CC)CC)C1=N[N-]N=N1	REAL250004605609	0	46	0.0	-50.10	337.09	4.05	-46.05
CCCC(NC(=O)C(CC)[NH+](CC)CC)C1=NN=N[N-]1	REAL250004605609	1	46	0.0	-50.12	337.14	4.07	-46.05
CCCC(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004605653	1	41	0.0	-56.70	307.21	3.47	-53.23
CCCC(NC(=O)[C@@H]1CCCC[N@H+]1C)C1=NN=N[N-]1	REAL250004605653	1	41	0.0	-48.08	316.52	3.66	-44.42
CCCC(NC(=O)C[NH+]1CCC(C)CC1)C1=NN=N[N-]1	REAL250004605706	0	44	0.0	-54.15	337.51	4.55	-49.60
CCCC(NC(=O)C[NH+]1CCCC1)C1=NN=N[N-]1	REAL250004605782	1	38	0.0	-53.04	300.03	3.19	-49.85
CCCC(NC(=O)C(C)C[NH+]1CCOCC1)C1=NN=N[N-]1	REAL250004605784	0	45	0.0	-59.25	345.86	2.78	-56.47
CCCC(NC(=O)C(C)C[NH+]1CCOCC1)C1=N[N-]N=N1	REAL250004605784	1	45	0.0	-59.25	345.81	2.76	-56.49
CCCC(NC(=O)C[N@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL250004605797	0	42	0.0	-56.89	333.83	4.30	-52.59
CCCC(NC(=O)C[N@@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL250004605797	1	42	0.0	-59.71	334.04	4.28	-55.43
CCCC(NC(=O)C[N@H+](CC)C1CC1)C1=NN=N[N-]1	REAL250004605808	0	41	0.0	-51.87	320.60	4.07	-47.80
CCCC(NC(=O)C[N@@H+](CC)C1CC1)C1=NN=N[N-]1	REAL250004605808	1	41	0.0	-51.80	320.91	4.04	-47.76
CCCC(NC(=O)C(CC)[NH+](C)C)C1=NN=N[N-]1	REAL250004605827	0	40	0.0	-49.22	304.79	3.07	-46.15
CCCC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=NN=N[N-]1	REAL250004605835	1	36	0.0	-68.26	304.99	5.57	-62.69
CCCC(NC(=O)C(C)[NH2+]C(C)(C)CC)C1=N[N-]N=N1	REAL250004605851	0	46	0.0	-53.46	338.46	2.53	-50.93
CCCC(NC(=O)C(C)[NH2+]C(C)(C)CC)C1=NN=N[N-]1	REAL250004605851	1	46	0.0	-53.44	338.52	2.54	-50.90
CCCC(NC(=O)C1=C(C)N2C=[NH+]C=C2C=C1)C1=NN=N[N-]1	REAL250004605869	1	39	0.0	-61.43	318.63	5.93	-55.50
C=C(C[NH+](C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004605995	0	38	0.0	-60.25	306.63	3.10	-57.15
C=C(C[NH+](C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004605995	1	38	0.0	-60.29	306.69	3.11	-57.18
CCCC(NC(=O)C1CC[NH+](C2CC2)CC1)C1=N[N-]N=N1	REAL250004606094	0	45	0.0	-60.38	343.91	4.90	-55.48
CCCC(NC(=O)C1CC[NH+](C2CC2)CC1)C1=NN=N[N-]1	REAL250004606094	1	45	0.0	-60.46	343.96	4.91	-55.55
CCCC(NC(=O)C1C[N@@H+](C(C)C)CCO1)C1=NN=N[N-]1	REAL250004606167	1	45	0.0	-67.33	346.49	3.67	-63.66
CCCC(NC(=O)C1C[N@H+](C(C)C)CCO1)C1=NN=N[N-]1	REAL250004606167	1	45	0.0	-61.82	346.52	3.67	-58.15
CCCC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=NN=N[N-]1	REAL250004606216	1	36	0.0	-61.80	304.72	5.57	-56.23
CCCC(NC(=O)CN1C=C[NH+]=C1C)C1=N[N-]N=N1	REAL250004606223	1	36	0.0	-51.32	303.93	3.65	-47.67
CCCC(NC(=O)CN1C=C[NH+]=C1C)C1=NN=N[N-]1	REAL250004606223	1	36	0.0	-51.35	303.97	3.67	-47.68
CCCC(NC(=O)C1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL250004606376	0	47	0.0	-63.44	349.74	4.64	-58.80
CCCC(NC(=O)C1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL250004606376	1	47	0.0	-63.41	349.80	4.66	-58.75
CCCC(NC(=O)C[N@H+](C)C1CCC1)C1=NN=N[N-]1	REAL250004606396	0	41	0.0	-51.34	320.67	4.03	-47.31
CCCC(NC(=O)C[N@@H+](C)C1CCC1)C1=NN=N[N-]1	REAL250004606396	1	41	0.0	-51.97	320.77	4.04	-47.93
CCCC(NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1=NN=N[N-]1	REAL250004606481	0	44	0.0	-63.56	331.51	3.73	-59.83
CCCC(NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1=NN=N[N-]1	REAL250004606481	1	44	0.0	-58.64	337.05	4.04	-54.60
CCCC(NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1=N[N-]N=N1	REAL250004606481	1	44	0.0	-63.56	331.45	3.71	-59.85
CCCC(NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1=N[N-]N=N1	REAL250004606481	1	44	0.0	-58.63	336.99	4.02	-54.61
CCCC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1=NN=N[N-]1	REAL250004606489	0	41	0.0	-58.16	311.10	3.24	-54.92
CCCC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1=NN=N[N-]1	REAL250004606489	1	41	0.0	-64.05	317.38	3.31	-60.74
CCCC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1=N[N-]N=N1	REAL250004606489	1	41	0.0	-58.18	311.03	3.24	-54.94
CCCC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1=N[N-]N=N1	REAL250004606489	1	41	0.0	-64.05	317.32	3.29	-60.76
CCCC(NC(=O)C1CC[N@@H+]1C(C)(C)C)C1=NN=N[N-]1	REAL250004606517	1	44	0.0	-51.58	336.55	3.80	-47.78
CCCC(NC(=O)C1CC[N@H+]1C(C)(C)C)C1=NN=N[N-]1	REAL250004606517	1	44	0.0	-51.57	336.55	3.80	-47.77
CCCC(NC(=O)C12CC[N@H+](C1)CCC2)C1=NN=N[N-]1	REAL250004606533	0	42	0.0	-62.72	316.29	3.28	-59.44
CCCC(NC(=O)C12CC[N@@H+](C1)CCC2)C1=NN=N[N-]1	REAL250004606533	1	42	0.0	-64.88	315.40	3.39	-61.49
CCCC(NC(=O)C12CC[N@H+](C1)CCC2)C1=N[N-]N=N1	REAL250004606533	1	42	0.0	-62.70	316.24	3.26	-59.44
CCCC(NC(=O)C12CC[N@@H+](C1)CCC2)C1=N[N-]N=N1	REAL250004606533	1	42	0.0	-64.90	315.34	3.37	-61.53
CCCC(NC(=O)C1(C[NH+](C)C)CC1)C1=N[N-]N=N1	REAL250004606581	0	41	0.0	-66.53	326.88	3.75	-62.78
CCCC(NC(=O)C1(C[NH+](C)C)CC1)C1=NN=N[N-]1	REAL250004606581	1	41	0.0	-66.54	326.94	3.76	-62.78
CCCC(NC(=O)CN1C=C[NH+]=C1C(C)C)C1=NN=N[N-]1	REAL250004606605	1	42	0.0	-51.20	340.28	4.79	-46.41
CCCC(NC(=O)C1C[NH+](C2CCOC2)C1)C1=NN=N[N-]1	REAL250004606606	1	43	0.0	-56.21	340.93	2.43	-53.78
CCCC(NC(=O)[C@@H]1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004606610	0	38	0.0	-49.89	294.58	2.61	-47.28
CCCC(NC(=O)[C@@H]1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004606610	1	38	0.0	-51.40	300.51	3.07	-48.33
CCCC(NC(=O)[C@H]1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004606611	0	38	0.0	-54.06	299.64	3.12	-50.94
CCCC(NC(=O)[C@H]1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004606611	1	38	0.0	-57.64	294.50	2.61	-55.03
CCCC(NC(=O)C12CC[NH+](CC1)C2)C1=NN=N[N-]1	REAL250004606613	0	39	0.0	-62.60	306.17	2.57	-60.03
CCCC(NC(=O)C12CC[NH+](CC1)C2)C1=N[N-]N=N1	REAL250004606613	1	39	0.0	-62.60	306.12	2.55	-60.05
CCCC(NC(=O)C1CCC2CCCC[N@@H+]21)C1=NN=N[N-]1	REAL250004606619	0	45	0.0	-49.38	336.28	4.56	-44.82
CCCC(NC(=O)C1CCC2CCCC[N@H+]21)C1=NN=N[N-]1	REAL250004606619	1	45	0.0	-48.97	342.32	4.96	-44.01
CCCC(NC(=O)CN1C=[NH+]C=C1C)C1=NN=N[N-]1	REAL250004606635	1	36	0.0	-52.84	303.27	4.36	-48.48
CCCC(NC(=O)CN1C=[NH+]C=C1C)C1=N[N-]N=N1	REAL250004606635	1	36	0.0	-52.79	303.21	4.34	-48.45
CCCC(NC(=O)C1CCCC2CCC[N@@H+]21)C1=NN=N[N-]1	REAL250004606660	0	45	0.0	-48.43	339.10	4.91	-43.52
CCCC(NC(=O)C1CCCC2CCC[N@H+]21)C1=NN=N[N-]1	REAL250004606660	1	45	0.0	-54.98	331.23	4.63	-50.35
CCCC(NC(=O)C1C[N@H+](C)CC(C)O1)C1=NN=N[N-]1	REAL250004606661	1	42	0.0	-66.25	326.00	3.07	-63.18
CCCC(NC(=O)C1C[N@@H+](C)CC(C)O1)C1=NN=N[N-]1	REAL250004606661	1	42	0.0	-66.62	325.93	2.80	-63.82
CCCC(NC(=O)CCC1CCC[N@@H+]1C)C1=N[N-]N=N1	REAL250004606662	0	44	0.0	-58.95	336.44	4.06	-54.89
CCCC(NC(=O)CCC1CCC[N@H+]1C)C1=N[N-]N=N1	REAL250004606662	1	44	0.0	-64.27	341.88	4.53	-59.74
CCCC(NC(=O)CCC1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004606662	1	44	0.0	-58.94	336.50	4.08	-54.86
CCCC(NC(=O)CCC1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004606662	1	44	0.0	-64.26	341.94	4.54	-59.72
CCCC(NC(=O)C[N@H+](C)CC(C)(C)C)C1=N[N-]N=N1	REAL250004606669	0	46	0.0	-52.96	344.28	4.58	-48.38
CCCC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1=N[N-]N=N1	REAL250004606669	1	46	0.0	-53.56	344.63	4.60	-48.96
CCCC(NC(=O)C[N@H+](C)CC(C)(C)C)C1=NN=N[N-]1	REAL250004606669	1	46	0.0	-52.97	344.33	4.60	-48.37
CCCC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1=NN=N[N-]1	REAL250004606669	1	46	0.0	-53.59	344.69	4.62	-48.97
C=C(CC[NH+](C)C)C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004606673	0	41	0.0	-65.26	328.45	3.91	-61.35
C=C(CC[NH+](C)C)C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004606673	1	41	0.0	-65.24	328.50	3.93	-61.31
CCCC(NC(=O)C1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004606709	0	41	0.0	-66.92	319.08	3.70	-63.22
CCCC(NC(=O)C1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004606709	1	41	0.0	-66.94	319.13	3.71	-63.23
CCCC(NC(=O)[C@H](CC)[NH+](C)C)C1=NN=N[N-]1	REAL250004606715	0	40	0.0	-53.38	304.97	3.08	-50.30
CCCC(NC(=O)[C@@H](CC)[NH+](C)C)C1=NN=N[N-]1	REAL250004606717	0	40	0.0	-52.19	303.90	3.10	-49.09
CCCC(NC(=O)C1CN(C)CC[N@H+](C)C1)C1=NN=N[N-]1	REAL250004606718	0	46	0.0	-56.31	346.81	2.22	-54.09
CCCC(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1=NN=N[N-]1	REAL250004606718	1	46	0.0	-56.22	344.42	2.21	-54.01
CCCC(NC(=O)C1CN(C)CC[N@H+](C)C1)C1=N[N-]N=N1	REAL250004606718	1	46	0.0	-56.27	346.75	2.20	-54.07
CCCC(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1=N[N-]N=N1	REAL250004606718	1	46	0.0	-56.18	344.37	2.20	-53.98
CCCC(NC(=O)C1=CC=C(C)[NH+]=C1NC)C1=NN=N[N-]1	REAL250004606730	1	40	0.0	-51.29	323.85	3.13	-48.16
CCCC(NC(=O)CC1(O)CCC[N@H+](C)C1)C1=N[N-]N=N1	REAL250004606746	0	45	0.0	-50.47	344.81	2.40	-48.07
CCCC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C1=N[N-]N=N1	REAL250004606746	1	45	0.0	-57.29	335.10	2.19	-55.10
CCCC(NC(=O)CC1(O)CCC[N@H+](C)C1)C1=NN=N[N-]1	REAL250004606746	1	45	0.0	-50.51	344.87	2.41	-48.10
CCCC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C1=NN=N[N-]1	REAL250004606746	1	45	0.0	-57.32	335.16	2.20	-55.12
CCCC(NC(=O)C1CCCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004606785	1	41	0.0	-54.27	316.50	3.67	-50.60
CCCC(NC(=O)C1CCCC[N@H+]1C)C1=NN=N[N-]1	REAL250004606785	1	41	0.0	-48.08	316.52	3.66	-44.42
CCCC(NC(=O)C1CC[N@@H+]1CC)C1=NN=N[N-]1	REAL250004606858	1	38	0.0	-55.12	306.21	3.02	-52.10
CCCC(NC(=O)C1CC[N@H+]1CC)C1=NN=N[N-]1	REAL250004606858	1	38	0.0	-52.24	298.39	2.90	-49.34
CCCC(NC(=O)CC[N@@H+]1CCC(F)C1)C1=NN=N[N-]1	REAL250004606863	0	41	0.0	-62.47	329.16	3.86	-58.61
CCCC(NC(=O)CC[N@H+]1CCC(F)C1)C1=NN=N[N-]1	REAL250004606863	1	41	0.0	-60.03	328.89	3.84	-56.19
CCCC(NC(=O)C1=CC=C(C[NH+](C)C)O1)C1=NN=N[N-]1	REAL250004606866	1	41	0.0	-68.87	339.10	3.87	-65.00
CCCC(NC(=O)C1CCC[N@@H+](C(C)C)C1)C1=NN=N[N-]1	REAL250004606867	0	47	0.0	-48.85	347.20	5.05	-43.80
CCCC(NC(=O)C1CCC[N@H+](C(C)C)C1)C1=NN=N[N-]1	REAL250004606867	1	47	0.0	-56.16	353.44	4.84	-51.32
CCCC(NC(=O)C1CCC[N@@H+](C(C)C)C1)C1=N[N-]N=N1	REAL250004606867	1	47	0.0	-48.88	347.14	5.03	-43.85
CCCC(NC(=O)C1CCC[N@H+](C(C)C)C1)C1=N[N-]N=N1	REAL250004606867	1	47	0.0	-56.16	353.38	4.83	-51.33
CCCC(NC(=O)C1CCC[N@H+](CCC)C1)C1=NN=N[N-]1	REAL250004606868	0	47	0.0	-51.62	352.02	5.28	-46.34
CCCC(NC(=O)C1CCC[N@@H+](CCC)C1)C1=NN=N[N-]1	REAL250004606868	1	47	0.0	-59.36	358.30	5.07	-54.29
CCCC(NC(=O)C1CCC[N@H+](CCC)C1)C1=N[N-]N=N1	REAL250004606868	1	47	0.0	-51.56	351.97	5.26	-46.30
CCCC(NC(=O)C1CCC[N@@H+](CCC)C1)C1=N[N-]N=N1	REAL250004606868	1	47	0.0	-59.34	358.24	5.05	-54.29
CCCC(NC(=O)C(C)CC[NH+](C)C)C1=N[N-]N=N1	REAL250004606869	0	43	0.0	-61.86	334.54	3.93	-57.93
CCCC(NC(=O)C(C)CC[NH+](C)C)C1=NN=N[N-]1	REAL250004606869	1	43	0.0	-61.88	334.59	3.94	-57.94
CCCC(NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL250004606896	0	45	0.0	-51.50	345.19	1.44	-50.06
CCCC(NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL250004606896	1	45	0.0	-49.51	344.64	1.35	-48.16
CCCC(NC(=O)C[NH+]1CCC(CO)CC1)C1=NN=N[N-]1	REAL250004606908	1	45	0.0	-54.85	348.34	1.24	-53.61
CCCC(NC(=O)C1C[N@@H+]2CCN1CC2C)C1=NN=N[N-]1	REAL250004606913	0	44	0.0	-67.43	327.40	1.02	-66.41
CCCC(NC(=O)C1C[N@H+]2CCN1CC2C)C1=NN=N[N-]1	REAL250004606913	1	44	0.0	-57.08	327.32	1.02	-56.06
CCCC(NC(=O)C1C[N@@H+]2CCN1CC2C)C1=N[N-]N=N1	REAL250004606913	1	44	0.0	-67.46	327.34	1.00	-66.46
CCCC(NC(=O)C1C[N@H+]2CCN1CC2C)C1=N[N-]N=N1	REAL250004606913	1	44	0.0	-57.14	327.26	1.00	-56.14
CCCC(NC(=O)C1CCC[N@@H+]1C(C)C)C1=NN=N[N-]1	REAL250004606956	0	44	0.0	-50.00	320.98	4.00	-46.00
CCCC(NC(=O)C1CCC[N@H+]1C(C)C)C1=NN=N[N-]1	REAL250004606956	1	44	0.0	-50.28	319.87	4.12	-46.16
CCCC(NC(=O)CC[NH2+]C(C)(C)C)C1=N[N-]N=N1	REAL250004606963	0	43	0.0	-61.19	335.00	2.33	-58.86
CCCC(NC(=O)CC[NH2+]C(C)(C)C)C1=NN=N[N-]1	REAL250004606963	1	43	0.0	-61.22	335.06	2.35	-58.87
CCCC(NC(=O)COC1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004606970	0	45	0.0	-69.17	354.44	4.13	-65.04
CCCC(NC(=O)COC1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004606970	1	45	0.0	-69.17	354.50	4.15	-65.02
CCCC(NC(=O)CC(O)C[NH+](C)C)C1=N[N-]N=N1	REAL250004606991	0	41	0.0	-65.67	327.10	1.04	-64.63
CCCC(NC(=O)CC(O)C[NH+](C)C)C1=NN=N[N-]1	REAL250004606991	1	41	0.0	-65.73	327.15	1.06	-64.67
CCCC(NC(=O)C(C)C[NH+](C)C)C1=N[N-]N=N1	REAL250004606993	0	40	0.0	-60.93	312.91	3.30	-57.63
CCCC(NC(=O)C(C)C[NH+](C)C)C1=NN=N[N-]1	REAL250004606993	1	40	0.0	-60.91	312.97	3.31	-57.60
CCCC(NC(=O)C=CC[NH+](C)C)C1=N[N-]N=N1	REAL250004606995	0	38	0.0	-66.24	311.72	3.29	-62.95
CCCC(NC(=O)C=CC[NH+](C)C)C1=NN=N[N-]1	REAL250004606995	1	38	0.0	-66.27	311.78	3.31	-62.96
C=CCC(C(=O)NC(CCC)C1=NN=N[N-]1)[NH+](C)C	REAL250004607062	0	41	0.0	-52.30	317.60	3.51	-48.79
CCCC(NC(=O)C1CCC[N@H+](C)C1)C1=NN=N[N-]1	REAL250004607069	0	41	0.0	-58.68	319.16	3.67	-55.01
CCCC(NC(=O)C1CCC[N@@H+](C)C1)C1=NN=N[N-]1	REAL250004607069	1	41	0.0	-51.90	312.88	3.88	-48.02
CCCC(NC(=O)C1CCC[N@H+](C)C1)C1=N[N-]N=N1	REAL250004607069	1	41	0.0	-58.71	319.10	3.65	-55.06
CCCC(NC(=O)C1CCC[N@@H+](C)C1)C1=N[N-]N=N1	REAL250004607069	1	41	0.0	-51.90	312.82	3.87	-48.03
CCCC(NC(=O)CC1=CC[N@H+](C)CC1)C1=N[N-]N=N1	REAL250004607097	0	42	0.0	-60.20	333.63	4.36	-55.84
CCCC(NC(=O)CC1=CC[N@@H+](C)CC1)C1=N[N-]N=N1	REAL250004607097	1	42	0.0	-57.82	333.62	4.36	-53.46
CCCC(NC(=O)CC1=CC[N@H+](C)CC1)C1=NN=N[N-]1	REAL250004607097	1	42	0.0	-60.18	333.69	4.38	-55.80
CCCC(NC(=O)CC1=CC[N@@H+](C)CC1)C1=NN=N[N-]1	REAL250004607097	1	42	0.0	-57.78	333.68	4.37	-53.41
CCCC(NC(=O)C1CC[N@@H+]2CCOCC12)C1=NN=N[N-]1	REAL250004607151	0	43	0.0	-52.42	329.61	2.34	-50.08
CCCC(NC(=O)C1CC[N@H+]2CCOCC12)C1=NN=N[N-]1	REAL250004607151	1	43	0.0	-55.94	331.11	2.18	-53.76
CCCC(NC(=O)C1CC[N@@H+]2CCOCC12)C1=N[N-]N=N1	REAL250004607151	1	43	0.0	-52.43	329.55	2.32	-50.11
CCCC(NC(=O)C1CC[N@H+]2CCOCC12)C1=N[N-]N=N1	REAL250004607151	1	43	0.0	-55.95	331.05	2.16	-53.79
CCCC(NC(=O)CCC1=[NH+]C(C)=C(C)N1)C1=NN=N[N-]1	REAL250004607243	1	42	0.0	-54.10	344.79	3.33	-50.77
CCCC(NC(=O)CSCC[NH+](C)C)C1=N[N-]N=N1	REAL250004607313	0	41	0.0	-67.83	341.39	3.97	-63.86
CCCC(NC(=O)CSCC[NH+](C)C)C1=NN=N[N-]1	REAL250004607313	1	41	0.0	-67.84	341.45	3.98	-63.86
CCCC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=NN=N[N-]1	REAL250004607315	1	43	0.0	-54.34	332.70	4.76	-49.58
CCCC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=NN=N[N-]1	REAL250004607315	1	43	0.0	-58.19	328.90	4.92	-53.27
CCCC(NC(=O)C1=CN2C(=C[NH+]=C2C)C=C1)C1=NN=N[N-]1	REAL250004607328	0	39	0.0	-58.17	326.14	5.34	-52.83
CCCC(NC(=O)CC1COCC[N@@H+]1CC)C1=NN=N[N-]1	REAL250004607335	1	45	0.0	-60.85	342.35	2.52	-58.33
CCCC(NC(=O)CC1COCC[N@H+]1CC)C1=NN=N[N-]1	REAL250004607335	1	45	0.0	-63.09	338.31	2.39	-60.70
CCCC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1=N[N-]N=N1	REAL250004607572	0	41	0.0	-58.19	324.04	3.76	-54.43
CCCC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1=NN=N[N-]1	REAL250004607572	1	41	0.0	-58.21	324.10	3.78	-54.43
CCCC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=N[N-]N=N1	REAL250004607579	0	47	0.0	-47.79	346.79	4.73	-43.06
CCCC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=NN=N[N-]1	REAL250004607579	1	47	0.0	-47.81	346.85	4.75	-43.06
CCCC(NC(=O)C1CCC[N@H+](CC)C1)C1=NN=N[N-]1	REAL250004607602	0	44	0.0	-56.75	336.78	4.33	-52.42
CCCC(NC(=O)C1CCC[N@@H+](CC)C1)C1=NN=N[N-]1	REAL250004607602	1	44	0.0	-56.78	336.81	4.33	-52.45
CCCC(NC(=O)C1CCC[N@H+](CC)C1)C1=N[N-]N=N1	REAL250004607602	1	44	0.0	-56.72	336.72	4.31	-52.41
CCCC(NC(=O)C1CCC[N@@H+](CC)C1)C1=N[N-]N=N1	REAL250004607602	1	44	0.0	-56.78	336.76	4.31	-52.47
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC[NH2+]1	REAL250004607667	0	38	0.0	-76.13	291.40	2.64	-73.49
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC[NH2+]1	REAL250004607667	1	38	0.0	-76.18	291.45	2.65	-73.53
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[NH2+]1	REAL250004607668	0	38	0.0	-60.18	298.89	2.87	-57.31
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[NH2+]1	REAL250004607668	1	38	0.0	-60.20	298.95	2.88	-57.32
CC[N@@H+]1CCC2CCC(C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004607674	0	45	0.0	-66.59	327.44	6.42	-60.17
CC[N@H+]1CCC2CCC(C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004607674	1	45	0.0	-66.49	327.57	6.43	-60.06
CC[N@@H+]1CCC2CCC(C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004607674	1	45	0.0	-66.55	327.49	6.44	-60.11
CC[N@H+]1CCC2CCC(C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004607674	1	45	0.0	-66.52	327.62	6.44	-60.08
NC1=CN=[NH+]C(NNC(=O)CCCC2=NN=N[N-]2)=C1Cl	REAL250004607706	1	32	0.0	-62.79	291.00	-0.15	-62.94
C[N@@H+]1CCCC2CN(C(=O)CCCC3=N[N-]N=N3)CCC21	REAL250004607732	0	45	0.0	-74.26	326.10	5.22	-69.04
C[N@H+]1CCCC2CN(C(=O)CCCC3=N[N-]N=N3)CCC21	REAL250004607732	1	45	0.0	-73.48	333.29	5.60	-67.88
C[N@@H+]1CCCC2CN(C(=O)CCCC3=NN=N[N-]3)CCC21	REAL250004607732	1	45	0.0	-74.28	326.16	5.24	-69.04
C[N@H+]1CCCC2CN(C(=O)CCCC3=NN=N[N-]3)CCC21	REAL250004607732	1	45	0.0	-73.52	333.35	5.62	-67.90
C[N@@H+]1CCC2C(CCCN2C(=O)CCCC2=N[N-]N=N2)C1	REAL250004607835	0	45	0.0	-64.28	331.94	5.74	-58.54
C[N@H+]1CCC2C(CCCN2C(=O)CCCC2=N[N-]N=N2)C1	REAL250004607835	1	45	0.0	-65.34	324.37	5.28	-60.06
C[N@@H+]1CCC2C(CCCN2C(=O)CCCC2=NN=N[N-]2)C1	REAL250004607835	1	45	0.0	-64.31	332.00	5.75	-58.56
C[N@H+]1CCC2C(CCCN2C(=O)CCCC2=NN=N[N-]2)C1	REAL250004607835	1	45	0.0	-65.29	324.42	5.29	-60.00
CC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@H+](C)CCO1	REAL250004607836	1	42	0.0	-73.04	321.77	1.74	-71.30
CC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@@H+](C)CCO1	REAL250004607836	1	42	0.0	-72.21	330.18	2.61	-69.60
O=C(CCCC1=N[N-]N=N1)NCC(O)C[NH+]1CCCCC1	REAL250004607842	0	45	0.0	-69.81	350.08	1.22	-68.59
O=C(CCCC1=NN=N[N-]1)NCC(O)C[NH+]1CCCCC1	REAL250004607842	1	45	0.0	-69.84	350.14	1.24	-68.60
CC1C[N@@H+](C2CC2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL250004607858	0	42	0.0	-63.84	329.25	4.69	-59.15
CC1C[N@H+](C2CC2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL250004607858	1	42	0.0	-63.58	332.60	4.22	-59.36
CC1C[N@@H+](C2CC2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL250004607858	1	42	0.0	-63.85	329.31	4.70	-59.15
CC1C[N@H+](C2CC2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL250004607858	1	42	0.0	-63.57	332.66	4.24	-59.33
CCOC(CC[NH+](C)C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004607949	0	47	0.0	-71.74	371.70	3.42	-68.32
CCOC(CC[NH+](C)C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004607949	1	47	0.0	-71.73	371.75	3.44	-68.29
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C[N@@H+]1C1CC1	REAL250004607954	0	42	0.0	-66.45	332.48	4.31	-62.14
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C[N@H+]1C1CC1	REAL250004607954	1	42	0.0	-66.46	325.03	3.90	-62.56
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C[N@@H+]1C1CC1	REAL250004607954	1	42	0.0	-66.49	332.53	4.32	-62.17
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C[N@H+]1C1CC1	REAL250004607954	1	42	0.0	-66.46	325.09	3.91	-62.55
CC(C)C[N@@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004608019	0	47	0.0	-69.77	361.30	4.99	-64.78
CC(C)C[N@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004608019	1	47	0.0	-69.78	361.15	4.97	-64.81
CC(C)C[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004608019	1	47	0.0	-69.81	361.35	5.00	-64.81
CC(C)C[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004608019	1	47	0.0	-69.81	361.21	4.98	-64.83
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004608052	0	41	0.0	-74.28	306.25	4.72	-69.56
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004608052	1	41	0.0	-73.88	306.09	4.73	-69.15
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004608052	1	41	0.0	-74.31	306.30	4.73	-69.58
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004608052	1	41	0.0	-73.94	306.15	4.74	-69.20
CC[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004608083	0	41	0.0	-70.98	305.67	4.73	-66.25
CC[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004608083	1	41	0.0	-71.01	305.63	4.71	-66.30
CC[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004608083	1	41	0.0	-70.95	305.73	4.75	-66.20
CC[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004608083	1	41	0.0	-71.00	305.68	4.73	-66.27
CC(C1CC[NH+](C)CC1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004608147	0	47	0.0	-69.49	351.05	6.51	-62.98
CC(C1CC[NH+](C)CC1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004608147	1	47	0.0	-69.47	351.11	6.53	-62.94
C[NH+]1CCC2(CCCN2C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004608159	0	45	0.0	-46.66	322.69	5.34	-41.32
C[NH+]1CCC2(CCCN2C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004608159	1	45	0.0	-46.69	322.75	5.35	-41.34
CC1C[N@H+](C)C(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004608160	0	41	0.0	-72.94	304.30	4.86	-68.08
CC1C[N@@H+](C)C(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004608160	1	41	0.0	-70.71	307.00	4.51	-66.20
CC1C[N@H+](C)C(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004608160	1	41	0.0	-72.95	304.36	4.87	-68.08
CC1C[N@@H+](C)C(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004608160	1	41	0.0	-70.69	307.06	4.54	-66.15
CCC(CO)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004608213	0	45	0.0	-68.76	332.15	2.36	-66.40
CCC(CO)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004608213	1	45	0.0	-68.77	332.21	2.38	-66.39
CC1=[NH+]C=CN1CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004608217	1	42	0.0	-64.24	343.82	6.21	-58.03
CC1=[NH+]C=CN1CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004608217	1	42	0.0	-64.23	343.88	6.22	-58.01
CC1=C[NH+]=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004608232	1	39	0.0	-68.77	326.06	4.81	-63.96
CC1=C[NH+]=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004608232	1	39	0.0	-68.76	326.00	4.80	-63.96
O=C(NCC[NH+]1CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004608298	1	38	0.0	-74.89	310.96	5.10	-69.79
O=C(NCC[NH+]1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004608299	1	35	0.0	-59.19	297.26	2.01	-57.18
CC[NH+](CC)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608628	0	41	0.0	-63.43	301.92	4.24	-59.19
CC(C)[N@H+](C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608634	0	41	0.0	-62.49	304.75	4.36	-58.13
CC(C)[N@@H+](C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608634	1	41	0.0	-62.40	304.71	4.36	-58.04
CC(C)(C)[NH2+]CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608646	0	41	0.0	-63.44	309.22	2.87	-60.57
CC(C)(C)[NH2+]CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608646	1	41	0.0	-63.44	309.28	2.89	-60.55
O=C(CC[NH+]1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608650	1	43	0.0	-71.55	325.57	3.21	-68.34
C[NH+](C)CCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608700	0	44	0.0	-71.48	335.61	5.31	-66.17
C[NH+](C)CCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608700	1	44	0.0	-71.48	335.66	5.33	-66.15
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004608702	0	44	0.0	-64.08	312.19	4.59	-59.49
CCC[N@H+](C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608708	0	41	0.0	-65.39	309.56	4.59	-60.80
CCC[N@@H+](C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608708	1	41	0.0	-65.33	309.53	4.56	-60.77
C[N@@H+]1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608736	0	42	0.0	-64.62	302.97	4.39	-60.23
C[N@H+]1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608736	1	42	0.0	-62.75	299.72	4.21	-58.54
CC[N@@H+]1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004608744	1	43	0.0	-66.83	314.02	3.88	-62.95
CC[N@H+]1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004608744	1	43	0.0	-75.91	320.99	4.06	-71.85
C[N@@H+]1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608761	0	39	0.0	-60.99	292.16	3.93	-57.06
C[N@H+]1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608761	1	39	0.0	-61.85	293.04	4.01	-57.84
CC1CCC(C)[NH+]1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608779	0	45	0.0	-61.43	327.46	5.17	-56.26
C[NH+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004608790	0	42	0.0	-73.06	314.21	4.72	-68.34
C[NH+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608790	1	42	0.0	-73.07	314.27	4.74	-68.33
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)[NH+](CC)CC	REAL250004608796	0	47	0.0	-56.87	330.48	5.32	-51.55
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+](CC)CC	REAL250004608796	1	47	0.0	-56.89	330.54	5.34	-51.55
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608829	0	42	0.0	-60.01	310.09	4.70	-55.31
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608829	1	42	0.0	-64.61	302.97	4.39	-60.22
C[NH+](C)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL250004608873	0	42	0.0	-67.83	295.08	4.13	-63.70
CC1CC[NH+](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608878	0	45	0.0	-65.68	332.87	5.64	-60.04
CC(C)[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004608893	0	44	0.0	-63.34	313.41	4.68	-58.66
O=C(C[NH+]1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608948	0	39	0.0	-64.48	294.46	4.26	-60.22
CC[N@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004608964	0	42	0.0	-61.06	318.90	5.18	-55.88
CC[N@@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL250004608964	1	42	0.0	-64.07	311.67	5.07	-59.00
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004608978	0	41	0.0	-63.34	298.10	4.13	-59.21
CCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004608981	0	44	0.0	-61.79	320.16	4.88	-56.91
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608985	1	37	0.0	-72.35	304.87	6.56	-65.79
C[NH+]1CCC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004608994	0	45	0.0	-65.05	318.66	4.68	-60.37
C[NH+]1CCC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004608994	1	45	0.0	-65.07	318.71	4.70	-60.37
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608998	0	47	0.0	-62.84	334.69	3.71	-59.13
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608998	1	47	0.0	-62.85	334.75	3.73	-59.12
C=C(C[NH+](C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609121	0	39	0.0	-65.08	302.23	4.10	-60.98
C=C(C[NH+](C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609121	1	39	0.0	-65.07	302.29	4.13	-60.94
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC[NH+]1CCC2	REAL250004609220	0	43	0.0	-60.25	306.75	4.45	-55.80
O=C(C1CCC[N@@H+]1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609257	0	43	0.0	-60.28	318.48	5.31	-54.97
O=C(C1CCC[N@H+]1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609257	1	43	0.0	-62.55	319.22	5.02	-57.53
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609312	1	37	0.0	-69.32	304.76	6.51	-62.81
CC1=[NH+]C=CN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609318	1	37	0.0	-61.83	298.63	4.70	-57.13
CC1=[NH+]C=CN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609318	1	37	0.0	-61.86	298.69	4.73	-57.13
C[NH+](C)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609322	0	39	0.0	-67.11	293.46	3.84	-63.27
C[N@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004609464	0	42	0.0	-62.56	316.43	5.15	-57.41
C[N@@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCC1	REAL250004609464	1	42	0.0	-62.42	316.44	5.14	-57.28
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC[N@@H+]1C	REAL250004609543	0	45	0.0	-69.25	327.50	4.76	-64.49
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC[N@H+]1C	REAL250004609543	1	45	0.0	-68.59	332.38	5.26	-63.33
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC[N@@H+]1C	REAL250004609543	1	45	0.0	-69.24	327.56	4.79	-64.45
CC[C@@H]1[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC[N@H+]1C	REAL250004609543	1	45	0.0	-68.59	332.43	5.28	-63.31
C[C@@H]1[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC[N@@H+]1C	REAL250004609551	0	42	0.0	-72.46	306.05	4.19	-68.27
C[C@@H]1[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC[N@H+]1C	REAL250004609551	1	42	0.0	-71.14	312.17	4.39	-66.75
C[C@@H]1[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC[N@@H+]1C	REAL250004609551	1	42	0.0	-72.46	306.10	4.21	-68.25
C[C@@H]1[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC[N@H+]1C	REAL250004609551	1	42	0.0	-71.13	312.22	4.42	-66.71
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609570	0	45	0.0	-62.00	331.15	4.84	-57.16
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609570	1	45	0.0	-61.96	311.10	4.04	-57.92
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC[N@H+](C1)CCC2	REAL250004609585	0	43	0.0	-76.57	301.72	3.87	-72.70
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL250004609585	1	43	0.0	-69.58	303.05	3.97	-65.61
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC[N@H+](C1)CCC2	REAL250004609585	1	43	0.0	-76.57	301.78	3.89	-72.68
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC[N@@H+](C1)CCC2	REAL250004609585	1	43	0.0	-69.58	303.11	3.99	-65.59
C[NH+](C)CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609629	0	42	0.0	-65.78	318.69	4.75	-61.03
C[NH+](C)CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609629	1	42	0.0	-65.78	318.74	4.78	-61.00
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609646	0	39	0.0	-61.81	291.87	3.94	-57.87
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609646	1	39	0.0	-62.79	288.70	3.71	-59.08
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609647	0	39	0.0	-64.65	289.31	3.69	-60.96
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609647	1	39	0.0	-61.89	293.03	4.01	-57.88
C[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004609648	0	38	0.0	-63.11	286.63	3.50	-59.61
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC[NH+](CC1)C2	REAL250004609651	0	40	0.0	-51.94	294.39	3.39	-48.55
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC[NH+](CC1)C2	REAL250004609651	1	40	0.0	-51.93	294.45	3.41	-48.52
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609656	0	43	0.0	-62.12	310.26	0.31	-61.81
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609656	1	43	0.0	-59.29	309.08	0.39	-58.90
CC1=C[NH+]=CN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609667	1	37	0.0	-64.65	299.02	5.45	-59.20
CC1=C[NH+]=CN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609667	1	37	0.0	-64.63	298.96	5.43	-59.20
C[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004609687	0	38	0.0	-63.08	285.95	3.49	-59.59
CC1C[N@H+](C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609690	1	43	0.0	-80.21	317.13	3.71	-76.50
CC1C[N@@H+](C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL250004609690	1	43	0.0	-66.39	316.55	3.94	-62.45
C[N@@H+]1CCCC1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609691	0	45	0.0	-72.15	337.67	5.69	-66.46
C[N@H+]1CCCC1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609691	1	45	0.0	-71.82	334.17	5.50	-66.32
C[N@@H+]1CCCC1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609691	1	45	0.0	-72.16	337.72	5.71	-66.45
C[N@H+]1CCCC1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609691	1	45	0.0	-71.77	334.23	5.53	-66.24
C[N@H+](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC(C)(C)C	REAL250004609697	0	47	0.0	-65.06	338.11	5.54	-59.52
C[N@@H+](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC(C)(C)C	REAL250004609697	1	47	0.0	-64.88	340.06	5.70	-59.18
C[N@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC(C)(C)C	REAL250004609697	1	47	0.0	-65.10	338.16	5.57	-59.53
C[N@@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC(C)(C)C	REAL250004609697	1	47	0.0	-64.90	340.12	5.72	-59.18
C=C(CC[NH+](C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609701	0	42	0.0	-45.57	316.20	4.44	-41.13
C=C(CC[NH+](C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609701	1	42	0.0	-45.61	316.26	4.46	-41.15
C[NH+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004609729	0	42	0.0	-73.06	314.21	4.72	-68.34
C[NH+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004609729	1	42	0.0	-73.07	314.27	4.74	-68.33
CC[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004609735	0	41	0.0	-62.91	298.25	4.20	-58.71
CC[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004609736	0	41	0.0	-63.80	301.21	4.26	-59.54
C[N@@H+]1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609794	0	42	0.0	-64.62	302.97	4.39	-60.23
C[N@H+]1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609794	1	42	0.0	-62.75	299.72	4.21	-58.54
CC[N@@H+]1CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609845	1	39	0.0	-65.29	301.46	4.10	-61.19
CC[N@H+]1CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609845	1	39	0.0	-64.97	301.32	4.13	-60.84
O=C(CC[N@H+]1CCC(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609849	0	42	0.0	-72.02	324.49	5.00	-67.02
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609849	1	42	0.0	-73.18	324.34	4.95	-68.23
O=C(CC[N@H+]1CCC(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609849	1	42	0.0	-72.00	324.55	5.03	-66.97
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609849	1	42	0.0	-73.17	324.40	4.98	-68.19
CC(CC[NH+](C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609852	0	44	0.0	-70.35	330.57	4.92	-65.43
CC(CC[NH+](C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609852	1	44	0.0	-70.35	330.63	4.94	-65.41
C[NH+](C)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL250004609905	0	45	0.0	-60.74	314.63	4.59	-56.15
C[NH+](C)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL250004609905	1	45	0.0	-60.70	314.69	4.61	-56.09
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609919	0	45	0.0	-62.01	320.80	5.59	-56.42
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609919	1	45	0.0	-62.37	320.17	5.36	-57.01
CC(C)(C)[NH2+]CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609925	0	44	0.0	-71.47	330.78	3.49	-67.98
CC(C)(C)[NH2+]CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609925	1	44	0.0	-71.48	330.84	3.51	-67.97
C[NH+](C)CC(O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609950	0	42	0.0	-74.24	322.76	2.21	-72.03
C[NH+](C)CC(O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609950	1	42	0.0	-74.24	322.82	2.24	-72.00
CC(C[NH+](C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609951	0	41	0.0	-59.55	304.81	4.25	-55.30
CC(C[NH+](C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609951	1	41	0.0	-59.58	304.87	4.28	-55.30
C[NH+](C)CC=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609953	0	39	0.0	-73.01	305.10	4.36	-68.65
C[NH+](C)CC=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609953	1	39	0.0	-73.03	305.15	4.39	-68.64
C=CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+](C)C	REAL250004610001	0	42	0.0	-60.28	311.75	4.64	-55.64
C[N@@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610009	0	42	0.0	-69.16	314.41	4.68	-64.48
C[N@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610009	1	42	0.0	-69.25	314.82	4.69	-64.56
C[N@@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610009	1	42	0.0	-69.12	314.46	4.70	-64.42
C[N@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610009	1	42	0.0	-69.27	314.87	4.71	-64.56
C[N@H+]1CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004610031	0	43	0.0	-65.99	329.41	5.51	-60.48
C[N@@H+]1CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL250004610031	1	43	0.0	-63.52	329.42	5.51	-58.01
C[N@H+]1CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004610031	1	43	0.0	-65.99	329.46	5.53	-60.46
C[N@@H+]1CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL250004610031	1	43	0.0	-63.51	329.47	5.53	-57.98
C[NH+](C)CCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610199	0	42	0.0	-74.25	337.17	5.16	-69.09
C[NH+](C)CCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610199	1	42	0.0	-74.23	337.22	5.19	-69.04
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610418	0	42	0.0	-68.90	319.48	4.87	-64.03
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610418	1	42	0.0	-68.93	319.53	4.90	-64.03
CC[N@@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610438	0	45	0.0	-64.41	322.02	5.21	-59.20
CC[N@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL250004610438	1	45	0.0	-66.81	331.98	5.36	-61.45
CC[N@@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610438	1	45	0.0	-64.41	322.02	5.21	-59.20
CC[N@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL250004610438	1	45	0.0	-66.81	331.98	5.36	-61.45
C[NH+](C)CC(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004610444	0	41	0.0	-67.19	317.35	0.63	-66.56
C[NH+](C)CC(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004610444	1	41	0.0	-67.28	317.41	0.65	-66.63
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(N(C)C)=[NH+]1	REAL250004610462	1	40	0.0	-56.30	326.92	3.15	-53.15
C[NH+]1CCC(C)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610468	0	44	0.0	-73.13	330.49	4.13	-69.00
C[NH+]1CCC(C)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610468	1	44	0.0	-73.17	330.55	4.15	-69.02
C[N@H+]1CC=C(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610557	0	39	0.0	-74.01	313.86	3.55	-70.46
C[N@@H+]1CC=C(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610557	1	39	0.0	-74.49	313.85	3.55	-70.94
C[N@H+]1CC=C(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610557	1	39	0.0	-74.01	313.86	3.55	-70.46
C[N@@H+]1CC=C(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610557	1	39	0.0	-74.49	313.85	3.55	-70.94
C[N@H+]1CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004610558	0	39	0.0	-60.87	324.45	3.33	-57.54
C[N@@H+]1CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004610558	1	39	0.0	-60.46	324.47	3.32	-57.14
C[N@H+]1CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004610558	1	39	0.0	-60.87	324.45	3.33	-57.54
C[N@@H+]1CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004610558	1	39	0.0	-60.46	324.47	3.32	-57.14
C[N@@H+]1CCCC12CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004610610	0	45	0.0	-70.81	326.38	5.13	-65.68
C[N@H+]1CCCC12CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004610610	1	45	0.0	-70.75	326.38	5.11	-65.64
C[N@@H+]1CCCC12CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004610610	1	45	0.0	-70.81	326.38	5.13	-65.68
C[N@H+]1CCCC12CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004610610	1	45	0.0	-70.75	326.38	5.11	-65.64
CC1C(C)[N@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004610666	0	41	0.0	-71.92	303.72	4.42	-67.50
CC1C(C)[N@@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004610666	1	41	0.0	-72.23	303.74	4.39	-67.84
C[NH+](C)CCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004610696	0	41	0.0	-68.97	331.50	2.00	-66.97
C[NH+](C)CCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004610696	1	41	0.0	-68.96	331.56	2.02	-66.94
CC[N@@H+]1CC(C)N(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004610705	0	44	0.0	-71.13	322.18	5.52	-65.61
CC[N@H+]1CC(C)N(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004610705	1	44	0.0	-71.13	322.19	5.52	-65.61
CC[N@@H+]1CC(C)N(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004610705	1	44	0.0	-71.13	322.18	5.52	-65.61
CC[N@H+]1CC(C)N(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004610705	1	44	0.0	-71.13	322.19	5.52	-65.61
CSC1CN(C(=O)CCCC2=N[N-]N=N2)CC1[NH+](C)C	REAL250004610720	0	42	0.0	-70.37	339.08	4.96	-65.41
CSC1CN(C(=O)CCCC2=NN=N[N-]2)CC1[NH+](C)C	REAL250004610720	1	42	0.0	-70.35	339.14	4.97	-65.38
C[NH+](C)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004610728	0	35	0.0	-62.38	294.26	3.16	-59.22
C[NH+](C)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004610728	1	35	0.0	-62.38	294.33	3.17	-59.21
C[NH+]1CCC(CCO)(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004610774	0	45	0.0	-75.80	338.06	1.43	-74.37
C[NH+]1CCC(CCO)(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004610774	1	45	0.0	-75.82	338.12	1.44	-74.38
CC(CN(C)C(=O)CCCC[NH+]1CCCC1)C1=N[N-]N=N1	REAL250004611269	0	47	0.0	-68.46	357.33	6.17	-62.29
CC(CN(C)C(=O)CCCC[NH+]1CCCC1)C1=NN=N[N-]1	REAL250004611269	1	47	0.0	-68.50	357.38	6.18	-62.32
CC[NH+](CC)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611289	0	40	0.0	-61.15	297.65	3.90	-57.25
C#CC[NH+]1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004611296	0	43	0.0	-74.91	330.85	5.44	-69.47
CCC[N@@H+]1CCCCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611297	0	47	0.0	-59.39	340.32	5.53	-53.86
CCC[N@H+]1CCCCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611297	1	47	0.0	-56.84	341.94	5.65	-51.19
CC(C)[N@H+](C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611300	0	40	0.0	-60.24	300.47	4.00	-56.24
CC(C)[N@@H+](C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611300	1	40	0.0	-60.18	300.48	4.02	-56.16
CC(CN(C)C(=O)C[NH2+]C(C)(C)C)C1=N[N-]N=N1	REAL250004611321	0	40	0.0	-61.16	304.95	2.53	-58.63
CC(CN(C)C(=O)C[NH2+]C(C)(C)C)C1=NN=N[N-]1	REAL250004611321	1	40	0.0	-61.17	305.01	2.52	-58.65
CC(CN(C)C(=O)CC[NH+]1CCOCC1)C1=NN=N[N-]1	REAL250004611326	1	42	0.0	-69.21	321.32	2.88	-66.33
CC1=[NH+]C=CN1CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611351	1	42	0.0	-64.51	336.96	5.75	-58.76
CC1=[NH+]C=CN1CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611351	1	42	0.0	-64.51	337.02	5.77	-58.74
CC(CN(C)C(=O)C(C)[NH+]1C(C)CCC1C)C1=NN=N[N-]1	REAL250004611355	0	47	0.0	-56.57	331.08	4.79	-51.78
CC(CN(C)C(=O)CCCC[NH+](C)C)C1=N[N-]N=N1	REAL250004611393	0	43	0.0	-70.17	331.36	4.99	-65.18
CC(CN(C)C(=O)CCCC[NH+](C)C)C1=NN=N[N-]1	REAL250004611393	1	43	0.0	-70.14	331.42	5.01	-65.13
CCCCCC[N@H+](C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611395	0	49	0.0	-64.10	369.89	6.56	-57.54
CCCCCC[N@@H+](C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611395	1	49	0.0	-63.98	369.79	6.58	-57.40
CC(C)C(C(=O)N(C)CC(C)C1=NN=N[N-]1)[NH+](C)C	REAL250004611398	0	43	0.0	-62.71	310.14	4.53	-58.18
CCC[N@H+](C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611406	0	40	0.0	-62.97	305.39	4.22	-58.75
CCC[N@@H+](C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611406	1	40	0.0	-62.88	305.29	4.23	-58.65
CC(CN(C)C(=O)C(C)N1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004611414	1	46	0.0	-62.24	333.66	2.38	-59.86
CC(CN(C)C(=O)C(C)[NH+]1CCCCCC1)C1=NN=N[N-]1	REAL250004611442	0	47	0.0	-59.29	334.64	5.56	-53.73
CC(CN(C)C(=O)C(C)[NH+]1CCCCCC1)C1=N[N-]N=N1	REAL250004611442	1	47	0.0	-59.26	334.59	5.55	-53.71
CC(CN(C)C(=O)C1CCCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004611445	0	41	0.0	-63.44	298.78	4.11	-59.33
CC(CN(C)C(=O)C1CCCC[N@H+]1C)C1=NN=N[N-]1	REAL250004611445	1	41	0.0	-61.52	294.07	3.99	-57.53
CC[N@@H+]1CCOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004611460	1	42	0.0	-65.55	309.17	3.54	-62.01
CC[N@H+]1CCOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004611460	1	42	0.0	-70.63	316.80	3.69	-66.94
CC(CN(C)C(=O)C1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004611491	0	38	0.0	-59.78	281.92	3.24	-56.54
CC(CN(C)C(=O)C1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004611491	1	38	0.0	-61.72	285.28	3.36	-58.36
CC(CN(C)C(=O)C[NH+]1C(C)CCC1C)C1=NN=N[N-]1	REAL250004611514	0	44	0.0	-59.03	322.78	4.71	-54.32
CC(CN(C)C(=O)C1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004611531	0	41	0.0	-72.39	305.60	4.22	-68.17
CC(CN(C)C(=O)C1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004611531	1	41	0.0	-72.41	305.65	4.24	-68.17
CCC(C(=O)N(C)CC(C)C1=N[N-]N=N1)[NH+](CC)CC	REAL250004611537	0	46	0.0	-55.47	327.28	4.97	-50.50
CCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)[NH+](CC)CC	REAL250004611537	1	46	0.0	-55.46	327.32	4.97	-50.49
CC(CN(C)C(=O)C1C[N@H+](C)CCO1)C1=NN=N[N-]1	REAL250004611549	1	39	0.0	-61.20	287.79	2.99	-58.21
CC(CN(C)C(=O)C1C[N@@H+](C)CCO1)C1=NN=N[N-]1	REAL250004611549	1	39	0.0	-66.68	291.31	2.90	-63.78
CC(CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004611581	0	41	0.0	-59.48	294.24	3.91	-55.57
CC(CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C1=NN=N[N-]1	REAL250004611581	1	41	0.0	-56.65	304.09	4.33	-52.32
CC(CN(C)C(=O)C1([NH+](C)C)CCC1)C1=NN=N[N-]1	REAL250004611643	0	41	0.0	-62.49	290.94	3.72	-58.77
CC(CN(C)C(=O)C[NH+]1CCC(C)CC1)C1=NN=N[N-]1	REAL250004611649	0	44	0.0	-63.48	328.74	5.32	-58.16
CC(C)[C@@H](C(=O)N(C)CC(C)C1=NN=N[N-]1)[NH+](C)C	REAL250004611669	0	43	0.0	-62.33	309.93	4.41	-57.92
CC(CN(C)C(=O)C[NH+]1CCCC1)C1=NN=N[N-]1	REAL250004611747	0	38	0.0	-61.89	290.01	3.84	-58.05
CC(C[NH+]1CCOCC1)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611749	0	45	0.0	-67.31	334.66	3.35	-63.96
CC(C[NH+]1CCOCC1)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611749	1	45	0.0	-67.30	334.72	3.37	-63.93
CC(CN(C)C(=O)C[N@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL250004611764	0	42	0.0	-66.82	324.89	5.03	-61.79
CC(CN(C)C(=O)C[N@@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL250004611764	1	42	0.0	-67.85	326.78	5.06	-62.79
CC[N@H+](CC(=O)N(C)CC(C)C1=NN=N[N-]1)C1CC1	REAL250004611780	0	41	0.0	-59.07	314.77	4.84	-54.23
CC[N@@H+](CC(=O)N(C)CC(C)C1=NN=N[N-]1)C1CC1	REAL250004611780	1	41	0.0	-60.24	312.43	4.80	-55.44
CCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)[NH+](C)C	REAL250004611800	0	40	0.0	-58.87	292.56	3.68	-55.19
CCCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)[NH+](C)C	REAL250004611805	0	43	0.0	-59.80	315.53	4.55	-55.25
CC(CN(C)C(=O)C1=CC2=C[NH+]=CN2C=C1)C1=NN=N[N-]1	REAL250004611810	1	36	0.0	-73.41	292.91	5.99	-67.42
CC(CN(C)C(=O)C(C)[NH+]1CCSCC1)C1=NN=N[N-]1	REAL250004611811	1	42	0.0	-62.25	320.43	4.72	-57.53
CC(CN(C)C(=O)C1(C)CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004611824	0	44	0.0	-62.37	314.04	4.37	-58.00
CC(CN(C)C(=O)C1(C)CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004611824	1	44	0.0	-62.37	314.10	4.38	-57.99
CCC(C)(C)[NH2+]C(C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004611828	0	46	0.0	-60.60	329.56	3.24	-57.36
CCC(C)(C)[NH2+]C(C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004611828	1	46	0.0	-60.65	329.62	3.27	-57.38
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL250004611849	1	39	0.0	-66.31	318.70	6.44	-59.87
C=C(C[NH+](C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612000	0	38	0.0	-63.20	303.17	3.78	-59.42
C=C(C[NH+](C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612000	1	38	0.0	-63.20	303.22	3.80	-59.40
CC(CN(C)C(=O)C1CC[NH+](C2CC2)CC1)C1=N[N-]N=N1	REAL250004612121	0	45	0.0	-69.14	330.43	5.43	-63.71
CC(CN(C)C(=O)C1CC[NH+](C2CC2)CC1)C1=NN=N[N-]1	REAL250004612121	1	45	0.0	-69.17	330.48	5.44	-63.73
CC(CN(C)C(=O)C12CCC[NH+]1CCC2)C1=NN=N[N-]1	REAL250004612126	0	42	0.0	-56.74	303.93	4.18	-52.56
CC(CN(C)C(=O)C1CCC[N@@H+]1C1CC1)C1=NN=N[N-]1	REAL250004612184	0	42	0.0	-61.31	306.62	4.39	-56.92
CC(CN(C)C(=O)C1CCC[N@H+]1C1CC1)C1=NN=N[N-]1	REAL250004612184	1	42	0.0	-61.80	315.54	4.66	-57.14
CC(C)[N@@H+]1CCOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004612205	0	45	0.0	-72.51	335.02	4.28	-68.23
CC(C)[N@H+]1CCOC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004612205	1	45	0.0	-60.38	325.56	3.96	-56.42
CC(C)[N@@H+]1CCOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004612205	1	45	0.0	-72.56	335.07	4.27	-68.29
CC(C)[N@H+]1CCOC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004612205	1	45	0.0	-60.40	325.62	3.98	-56.42
CC(CN(C)C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=NN=N[N-]1	REAL250004612263	1	36	0.0	-69.63	301.41	6.22	-63.41
CC1=[NH+]C=CN1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612273	1	36	0.0	-59.83	295.44	4.42	-55.41
CC1=[NH+]C=CN1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612273	1	36	0.0	-59.82	295.49	4.43	-55.39
CC(CN(C)C(=O)C1([NH+](C)C)CC1)C1=NN=N[N-]1	REAL250004612278	0	38	0.0	-62.65	287.10	3.39	-59.26
CC(C)[NH+]1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL250004612455	0	47	0.0	-68.91	336.26	5.18	-63.73
CC(C)[NH+]1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL250004612455	1	47	0.0	-68.96	336.32	5.19	-63.77
CC(CN(C)C(=O)C[N@H+](C)C1CCC1)C1=NN=N[N-]1	REAL250004612479	0	41	0.0	-60.59	312.29	4.81	-55.78
CC(CN(C)C(=O)C[N@@H+](C)C1CCC1)C1=NN=N[N-]1	REAL250004612479	1	41	0.0	-60.37	312.25	4.78	-55.59
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)CC[N@@H+]1C	REAL250004612583	0	44	0.0	-65.13	324.42	4.46	-60.67
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)C2=N[N-]N=N2)CC[N@H+]1C	REAL250004612583	1	44	0.0	-67.51	324.17	4.68	-62.83
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)CC[N@@H+]1C	REAL250004612583	1	44	0.0	-65.15	324.48	4.47	-60.68
CC[C@@H]1[C@@H](C(=O)N(C)CC(C)C2=NN=N[N-]2)CC[N@H+]1C	REAL250004612583	1	44	0.0	-67.54	324.22	4.69	-62.85
CC(CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1=N[N-]N=N1	REAL250004612591	0	41	0.0	-70.82	300.89	3.73	-67.09
CC(CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1=N[N-]N=N1	REAL250004612591	1	41	0.0	-66.95	306.16	4.33	-62.62
CC(CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1=NN=N[N-]1	REAL250004612591	1	41	0.0	-70.82	300.95	3.75	-67.07
CC(CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1=NN=N[N-]1	REAL250004612591	1	41	0.0	-66.96	306.22	4.34	-62.62
CC(CN(C)C(=O)C1CC[N@@H+]1C(C)(C)C)C1=NN=N[N-]1	REAL250004612625	0	44	0.0	-58.14	325.80	4.49	-53.65
CC(CN(C)C(=O)C1CC[N@H+]1C(C)(C)C)C1=NN=N[N-]1	REAL250004612625	1	44	0.0	-57.78	312.36	3.61	-54.17
CC(CN(C)C(=O)C12CC[N@H+](C1)CCC2)C1=N[N-]N=N1	REAL250004612643	0	42	0.0	-67.88	298.63	3.67	-64.21
CC(CN(C)C(=O)C12CC[N@@H+](C1)CCC2)C1=N[N-]N=N1	REAL250004612643	1	42	0.0	-65.20	298.61	3.67	-61.53
CC(CN(C)C(=O)C12CC[N@H+](C1)CCC2)C1=NN=N[N-]1	REAL250004612643	1	42	0.0	-67.88	298.69	3.68	-64.20
CC(CN(C)C(=O)C12CC[N@@H+](C1)CCC2)C1=NN=N[N-]1	REAL250004612643	1	42	0.0	-65.24	298.66	3.69	-61.55
CC(CN(C)C(=O)C1CC[N@@H+]1C1CCCC1)C1=NN=N[N-]1	REAL250004612681	0	45	0.0	-61.99	337.47	5.75	-56.24
CC(CN(C)C(=O)C1CC[N@H+]1C1CCCC1)C1=NN=N[N-]1	REAL250004612681	1	45	0.0	-62.29	332.62	5.41	-56.88
CC(CN(C)C(=O)C1(C[NH+](C)C)CC1)C1=N[N-]N=N1	REAL250004612706	0	41	0.0	-60.36	310.75	4.45	-55.91
CC(CN(C)C(=O)C1(C[NH+](C)C)CC1)C1=NN=N[N-]1	REAL250004612706	1	41	0.0	-60.37	310.81	4.47	-55.90
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612734	1	42	0.0	-58.58	331.78	5.56	-53.02
CC(CN(C)C(=O)C1C[NH+](C2CCOC2)C1)C1=NN=N[N-]1	REAL250004612735	0	43	0.0	-72.24	332.35	3.20	-69.04
CC(CN(C)C(=O)C12CCC[NH+](CCC1)C2)C1=N[N-]N=N1	REAL250004612736	0	45	0.0	-66.62	314.02	4.50	-62.12
CC(CN(C)C(=O)C12CCC[NH+](CCC1)C2)C1=NN=N[N-]1	REAL250004612736	1	45	0.0	-66.60	314.08	4.52	-62.08
CC(CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004612740	0	38	0.0	-59.23	284.69	3.38	-55.85
CC(CN(C)C(=O)[C@@H]1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004612740	1	38	0.0	-58.73	290.30	3.72	-55.01
CC(CN(C)C(=O)[C@H]1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004612741	0	38	0.0	-60.50	286.83	3.60	-56.90
CC(CN(C)C(=O)[C@H]1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004612741	1	38	0.0	-62.10	285.06	3.37	-58.73
CC(CN(C)C(=O)C12CC[NH+](CC1)C2)C1=N[N-]N=N1	REAL250004612744	0	39	0.0	-66.58	289.68	3.04	-63.54
CC(CN(C)C(=O)C12CC[NH+](CC1)C2)C1=NN=N[N-]1	REAL250004612744	1	39	0.0	-66.60	289.73	3.06	-63.54
CC(CN(C)C(=O)C1(C)CC(O)C[N@@H+]1C)C1=NN=N[N-]1	REAL250004612751	0	42	0.0	-60.17	305.11	-0.17	-60.34
CC(CN(C)C(=O)C1(C)CC(O)C[N@H+]1C)C1=NN=N[N-]1	REAL250004612751	1	42	0.0	-65.89	304.75	0.54	-65.35
CC(CN(C)C(=O)C1CCC2CCCC[N@@H+]21)C1=NN=N[N-]1	REAL250004612752	0	45	0.0	-58.17	332.46	5.60	-52.57
CC(CN(C)C(=O)C1CCC2CCCC[N@H+]21)C1=NN=N[N-]1	REAL250004612752	1	45	0.0	-55.93	330.36	5.59	-50.34
CC1=C[NH+]=CN1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612770	1	36	0.0	-62.50	295.81	5.15	-57.35
CC1=C[NH+]=CN1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612770	1	36	0.0	-62.47	295.75	5.14	-57.33
CC(CN(C)C(=O)C1CCCC2CCC[N@@H+]21)C1=NN=N[N-]1	REAL250004612797	0	45	0.0	-59.99	318.60	4.98	-55.01
CC(CN(C)C(=O)C1CCCC2CCC[N@H+]21)C1=NN=N[N-]1	REAL250004612797	1	45	0.0	-55.77	327.58	5.46	-50.31
CC(CN(C)C(=O)C1C[N@H+](C)CC(C)O1)C1=NN=N[N-]1	REAL250004612798	1	42	0.0	-64.48	313.44	3.69	-60.79
CC(CN(C)C(=O)C1C[N@@H+](C)CC(C)O1)C1=NN=N[N-]1	REAL250004612798	1	42	0.0	-76.03	314.31	3.85	-72.18
CC(CN(C)C(=O)CCC1CCC[N@@H+]1C)C1=N[N-]N=N1	REAL250004612799	0	44	0.0	-65.49	328.03	4.85	-60.64
CC(CN(C)C(=O)CCC1CCC[N@H+]1C)C1=N[N-]N=N1	REAL250004612799	1	44	0.0	-65.52	327.89	4.88	-60.64
CC(CN(C)C(=O)CCC1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004612799	1	44	0.0	-65.51	328.09	4.87	-60.64
CC(CN(C)C(=O)CCC1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004612799	1	44	0.0	-65.54	327.95	4.90	-60.64
CC(CN(C)C(=O)C[N@H+](C)CC(C)(C)C)C1=N[N-]N=N1	REAL250004612806	0	46	0.0	-62.55	335.78	5.36	-57.19
CC(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1=N[N-]N=N1	REAL250004612806	1	46	0.0	-62.70	333.83	5.21	-57.49
CC(CN(C)C(=O)C[N@H+](C)CC(C)(C)C)C1=NN=N[N-]1	REAL250004612806	1	46	0.0	-62.54	335.83	5.37	-57.17
CC(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1=NN=N[N-]1	REAL250004612806	1	46	0.0	-62.70	333.88	5.22	-57.48
C=C(CC[NH+](C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004612812	0	41	0.0	-67.07	325.08	4.53	-62.54
C=C(CC[NH+](C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612812	1	41	0.0	-67.07	325.14	4.55	-62.52
CC(CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C1=NN=N[N-]1	REAL250004612843	0	47	0.0	-60.61	328.38	5.13	-55.48
CC(CN(C)C(=O)C1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004612850	0	41	0.0	-72.39	305.60	4.22	-68.17
CC(CN(C)C(=O)C1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004612850	1	41	0.0	-72.41	305.65	4.24	-68.17
CC[C@@H](C(=O)N(C)CC(C)C1=NN=N[N-]1)[NH+](C)C	REAL250004612856	0	40	0.0	-60.38	292.90	3.79	-56.59
CC[C@H](C(=O)N(C)CC(C)C1=NN=N[N-]1)[NH+](C)C	REAL250004612858	0	40	0.0	-61.82	294.92	3.79	-58.03
CC(CN(C)C(=O)C1CN(C)CC[N@H+](C)C1)C1=N[N-]N=N1	REAL250004612859	0	46	0.0	-60.54	333.54	2.76	-57.78
CC(CN(C)C(=O)C1CN(C)CC[N@@H+](C)C1)C1=N[N-]N=N1	REAL250004612859	1	46	0.0	-60.16	331.99	2.25	-57.91
CC(CN(C)C(=O)C1CN(C)CC[N@H+](C)C1)C1=NN=N[N-]1	REAL250004612859	1	46	0.0	-60.55	333.60	2.78	-57.77
CC(CN(C)C(=O)C1CN(C)CC[N@@H+](C)C1)C1=NN=N[N-]1	REAL250004612859	1	46	0.0	-60.18	332.05	2.27	-57.91
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004612876	1	40	0.0	-57.80	316.41	3.43	-54.37
CC(CN(C)C(=O)CC1(O)CCC[N@H+](C)C1)C1=N[N-]N=N1	REAL250004612901	0	45	0.0	-58.17	335.81	3.10	-55.07
CC(CN(C)C(=O)CC1(O)CCC[N@@H+](C)C1)C1=N[N-]N=N1	REAL250004612901	1	45	0.0	-59.79	326.34	2.99	-56.80
CC(CN(C)C(=O)CC1(O)CCC[N@H+](C)C1)C1=NN=N[N-]1	REAL250004612901	1	45	0.0	-58.20	335.87	3.12	-55.08
CC(CN(C)C(=O)CC1(O)CCC[N@@H+](C)C1)C1=NN=N[N-]1	REAL250004612901	1	45	0.0	-59.82	326.40	3.00	-56.82
CC(CN(C)C(=O)C1CCCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004612947	0	41	0.0	-63.44	298.78	4.11	-59.33
CC(CN(C)C(=O)C1CCCC[N@H+]1C)C1=NN=N[N-]1	REAL250004612947	1	41	0.0	-61.52	294.07	3.99	-57.53
CC[N@@H+]1CCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613032	1	38	0.0	-63.32	296.19	3.70	-59.62
CC[N@H+]1CCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613032	1	38	0.0	-60.43	289.72	3.44	-56.99
CC(CN(C)C(=O)CC[N@@H+]1CCC(F)C1)C1=N[N-]N=N1	REAL250004613037	0	41	0.0	-68.70	319.80	4.60	-64.10
CC(CN(C)C(=O)CC[N@H+]1CCC(F)C1)C1=N[N-]N=N1	REAL250004613037	1	41	0.0	-67.54	319.69	4.64	-62.90
CC(CN(C)C(=O)CC[N@@H+]1CCC(F)C1)C1=NN=N[N-]1	REAL250004613037	1	41	0.0	-68.68	319.86	4.62	-64.06
CC(CN(C)C(=O)CC[N@H+]1CCC(F)C1)C1=NN=N[N-]1	REAL250004613037	1	41	0.0	-67.51	319.74	4.66	-62.85
CC(CN(C)C(=O)C1=CC=C(C[NH+](C)C)O1)C1=NN=N[N-]1	REAL250004613040	1	41	0.0	-75.46	328.14	4.76	-70.70
CC(C)[N@@H+]1CCCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613041	0	47	0.0	-55.96	334.64	5.64	-50.32
CC(C)[N@H+]1CCCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613041	1	47	0.0	-55.77	335.31	5.65	-50.12
CC(C)[N@@H+]1CCCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613041	1	47	0.0	-56.00	334.69	5.65	-50.35
CC(C)[N@H+]1CCCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613041	1	47	0.0	-55.78	335.37	5.66	-50.12
CCC[N@@H+]1CCCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613042	0	47	0.0	-62.92	345.84	5.65	-57.27
CCC[N@H+]1CCCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613042	1	47	0.0	-56.01	334.35	5.67	-50.34
CCC[N@@H+]1CCCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613042	1	47	0.0	-62.93	345.90	5.67	-57.26
CCC[N@H+]1CCCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613042	1	47	0.0	-56.04	334.40	5.68	-50.36
CC(CC[NH+](C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613043	0	43	0.0	-68.14	323.39	4.53	-63.61
CC(CC[NH+](C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613043	1	43	0.0	-68.19	323.44	4.55	-63.64
CC(CN(C)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL250004613077	0	45	0.0	-59.92	336.29	2.08	-57.84
CC(CN(C)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL250004613077	1	45	0.0	-58.72	337.07	2.03	-56.69
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613090	0	47	0.0	-57.98	346.84	5.81	-52.17
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613090	1	47	0.0	-59.42	334.37	5.08	-54.34
CC(CN(C)C(=O)C[NH+]1CCC(CO)CC1)C1=NN=N[N-]1	REAL250004613091	1	45	0.0	-63.97	339.95	2.00	-61.97
CC(CN(C)C(=O)C1C[N@@H+]2CCN1CC2C)C1=N[N-]N=N1	REAL250004613096	0	44	0.0	-71.16	313.94	1.31	-69.85
CC(CN(C)C(=O)C1C[N@H+]2CCN1CC2C)C1=N[N-]N=N1	REAL250004613096	1	44	0.0	-71.56	315.19	1.44	-70.12
CC(CN(C)C(=O)C1C[N@@H+]2CCN1CC2C)C1=NN=N[N-]1	REAL250004613096	1	44	0.0	-71.20	313.99	1.32	-69.88
CC(CN(C)C(=O)C1C[N@H+]2CCN1CC2C)C1=NN=N[N-]1	REAL250004613096	1	44	0.0	-71.55	315.24	1.45	-70.10
CC(CN(C)C(=O)C1([NH+](C)C)CCCC1)C1=N[N-]N=N1	REAL250004613121	0	44	0.0	-63.61	307.23	4.59	-59.02
CC(CN(C)C(=O)C1([NH+](C)C)CCCC1)C1=NN=N[N-]1	REAL250004613121	1	44	0.0	-63.64	307.29	4.61	-59.03
CC(C)[N@@H+]1CCCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613146	0	44	0.0	-57.87	316.24	5.26	-52.61
CC(C)[N@H+]1CCCC1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613146	1	44	0.0	-58.96	321.12	4.76	-54.20
CC(CN(C)C(=O)CC[NH2+]C(C)(C)C)C1=N[N-]N=N1	REAL250004613153	0	43	0.0	-69.27	326.50	3.13	-66.14
CC(CN(C)C(=O)CC[NH2+]C(C)(C)C)C1=NN=N[N-]1	REAL250004613153	1	43	0.0	-69.27	326.56	3.15	-66.12
CC(CN(C)C(=O)COC1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004613163	0	45	0.0	-74.78	345.96	4.98	-69.80
CC(CN(C)C(=O)COC1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004613163	1	45	0.0	-74.77	346.01	4.99	-69.78
CC(CN(C)C(=O)CC(O)C[NH+](C)C)C1=N[N-]N=N1	REAL250004613188	0	41	0.0	-72.50	318.48	1.88	-70.62
CC(CN(C)C(=O)CC(O)C[NH+](C)C)C1=NN=N[N-]1	REAL250004613188	1	41	0.0	-72.50	318.53	1.89	-70.61
CC(C[NH+](C)C)C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613190	0	40	0.0	-67.25	301.71	3.88	-63.37
CC(C[NH+](C)C)C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613190	1	40	0.0	-67.26	301.77	3.90	-63.36
CC(CN(C)C(=O)C=CC[NH+](C)C)C1=N[N-]N=N1	REAL250004613192	0	38	0.0	-71.62	302.40	4.08	-67.54
CC(CN(C)C(=O)C=CC[NH+](C)C)C1=NN=N[N-]1	REAL250004613192	1	38	0.0	-71.57	302.46	4.10	-67.47
C=CCC(C(=O)N(C)CC(C)C1=NN=N[N-]1)[NH+](C)C	REAL250004613272	0	41	0.0	-58.50	306.91	4.29	-54.21
CC(CN(C)C(=O)C1CCC[N@H+](C)C1)C1=N[N-]N=N1	REAL250004613281	0	41	0.0	-56.75	299.44	4.36	-52.39
CC(CN(C)C(=O)C1CCC[N@@H+](C)C1)C1=N[N-]N=N1	REAL250004613281	1	41	0.0	-64.18	305.37	4.18	-60.00
CC(CN(C)C(=O)C1CCC[N@H+](C)C1)C1=NN=N[N-]1	REAL250004613281	1	41	0.0	-56.78	299.50	4.37	-52.41
CC(CN(C)C(=O)C1CCC[N@@H+](C)C1)C1=NN=N[N-]1	REAL250004613281	1	41	0.0	-64.21	305.43	4.19	-60.02
CC(CN(C)C(=O)CC1=CC[N@H+](C)CC1)C1=N[N-]N=N1	REAL250004613313	0	42	0.0	-64.25	325.14	5.18	-59.07
CC(CN(C)C(=O)CC1=CC[N@@H+](C)CC1)C1=N[N-]N=N1	REAL250004613313	1	42	0.0	-60.05	324.90	5.18	-54.87
CC(CN(C)C(=O)CC1=CC[N@H+](C)CC1)C1=NN=N[N-]1	REAL250004613313	1	42	0.0	-64.23	325.20	5.19	-59.04
CC(CN(C)C(=O)CC1=CC[N@@H+](C)CC1)C1=NN=N[N-]1	REAL250004613313	1	42	0.0	-60.05	324.95	5.20	-54.85
CC(CN(C)C(=O)C1CC[N@@H+]2CCOCC12)C1=N[N-]N=N1	REAL250004613383	0	43	0.0	-70.50	321.39	2.97	-67.53
CC(CN(C)C(=O)C1CC[N@H+]2CCOCC12)C1=N[N-]N=N1	REAL250004613383	1	43	0.0	-58.42	313.65	3.16	-55.26
CC(CN(C)C(=O)C1CC[N@@H+]2CCOCC12)C1=NN=N[N-]1	REAL250004613383	1	43	0.0	-70.53	321.45	2.98	-67.55
CC(CN(C)C(=O)C1CC[N@H+]2CCOCC12)C1=NN=N[N-]1	REAL250004613383	1	43	0.0	-58.40	313.71	3.18	-55.22
CC(CN(C)C(=O)CSCC[NH+](C)C)C1=N[N-]N=N1	REAL250004613579	0	41	0.0	-73.35	332.90	4.81	-68.54
CC(CN(C)C(=O)CSCC[NH+](C)C)C1=NN=N[N-]1	REAL250004613579	1	41	0.0	-73.32	332.95	4.82	-68.50
CC(CN(C)C(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=NN=N[N-]1	REAL250004613581	0	43	0.0	-60.07	319.57	5.39	-54.68
CC(CN(C)C(=O)C12CC(C1)C[N@H+]2C1CC1)C1=NN=N[N-]1	REAL250004613581	1	43	0.0	-60.53	316.30	5.96	-54.57
CC1=[NH+]C=C2C=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=CN21	REAL250004613594	0	39	0.0	-63.24	314.10	5.73	-57.51
CC[N@@H+]1CCOCC1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613602	0	45	0.0	-65.14	329.95	3.26	-61.88
CC[N@H+]1CCOCC1CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL250004613602	1	45	0.0	-69.82	334.29	3.31	-66.51
CC[N@@H+]1CCOCC1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613602	1	45	0.0	-65.14	329.98	3.26	-61.88
CC[N@H+]1CCOCC1CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL250004613602	1	45	0.0	-69.85	334.35	3.32	-66.53
CC(CN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1=N[N-]N=N1	REAL250004613893	0	41	0.0	-64.67	314.65	4.53	-60.14
CC(CN(C)C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1=NN=N[N-]1	REAL250004613893	1	41	0.0	-64.74	314.71	4.54	-60.20
CC(CN(C)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=N[N-]N=N1	REAL250004613900	0	47	0.0	-58.68	333.15	5.24	-53.44
CC(CN(C)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=NN=N[N-]1	REAL250004613900	1	47	0.0	-58.73	333.20	5.25	-53.48
CC[N@@H+]1CCCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613928	0	44	0.0	-62.54	325.03	4.89	-57.65
CC[N@H+]1CCCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL250004613928	1	44	0.0	-62.44	324.13	4.93	-57.51
CC[N@@H+]1CCCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613928	1	44	0.0	-62.54	325.03	4.89	-57.65
CC[N@H+]1CCCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL250004613928	1	44	0.0	-62.44	324.13	4.93	-57.51
C[N@@H+]1CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004613935	0	39	0.0	-71.27	311.37	-0.22	-71.49
C[N@H+]1CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004613935	1	39	0.0	-70.52	312.09	-0.19	-70.71
C[N@@H+]1CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004613935	1	39	0.0	-71.27	311.37	-0.22	-71.49
C[N@H+]1CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004613935	1	39	0.0	-70.52	312.09	-0.19	-70.71
CC(C)[N@@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004613970	0	44	0.0	-69.96	330.52	4.69	-65.27
CC(C)[N@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004613970	1	44	0.0	-69.93	330.53	4.69	-65.24
CC(C)[N@@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004613970	1	44	0.0	-70.01	330.58	4.70	-65.31
CC(C)[N@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004613970	1	44	0.0	-69.97	330.59	4.70	-65.27
CC[NH+](CC)CCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004613998	0	47	0.0	-67.98	366.71	3.34	-64.64
CC[NH+](CC)CCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004613998	1	47	0.0	-67.97	366.77	3.36	-64.61
CCCN(CC[NH+](CC)CC)C(=O)CCCC1=N[N-]N=N1	REAL250004614011	0	49	0.0	-64.22	368.06	6.64	-57.58
CCCN(CC[NH+](CC)CC)C(=O)CCCC1=NN=N[N-]1	REAL250004614011	1	49	0.0	-64.17	368.11	6.66	-57.51
C[NH+](C)CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004614013	0	47	0.0	-66.35	345.27	5.18	-61.17
C[NH+](C)CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004614013	1	47	0.0	-66.41	345.32	5.19	-61.22
C[NH+]1CCC(C)(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004614016	0	41	0.0	-70.37	310.22	3.85	-66.52
C[NH+]1CCC(C)(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004614016	1	41	0.0	-70.38	310.28	3.86	-66.52
O=C(NNC1=CC=[NH+]C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614070	0	31	0.0	-56.09	278.82	1.46	-54.63
O=C(NNC1=CC=[NH+]C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614070	1	31	0.0	-56.06	278.89	1.46	-54.60
C[NH+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004614075	0	41	0.0	-75.58	320.56	4.78	-70.80
C[NH+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004614075	1	41	0.0	-75.63	320.61	4.80	-70.83
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC[N@H+](C)CC1	REAL250004614080	0	42	0.0	-75.08	329.87	4.24	-70.84
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC[N@@H+](C)CC1	REAL250004614080	1	42	0.0	-75.09	329.84	4.24	-70.85
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC[N@H+](C)CC1	REAL250004614080	1	42	0.0	-75.12	329.93	4.25	-70.87
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC[N@@H+](C)CC1	REAL250004614080	1	42	0.0	-75.10	329.90	4.25	-70.85
CC(CCNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCCCC1	REAL250004614096	0	47	0.0	-65.38	350.02	4.74	-60.64
CC(CCNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCCCC1	REAL250004614096	1	47	0.0	-65.45	350.07	4.76	-60.69
C[NH+](C)C1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004614169	0	44	0.0	-68.50	322.05	5.41	-63.09
C[NH+](C)C1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004614169	1	44	0.0	-68.54	322.11	5.43	-63.11
CC[NH+](CC)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614330	0	39	0.0	-68.14	308.58	2.81	-65.33
CC(C)[N@H+](C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614333	0	39	0.0	-67.29	307.58	2.65	-64.64
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614333	1	39	0.0	-67.32	307.60	2.65	-64.67
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614339	0	39	0.0	-68.52	312.11	1.19	-67.33
C[NH+](C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614356	1	33	0.0	-70.45	273.16	1.46	-68.99
CCC[N@H+](C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614364	0	39	0.0	-68.66	312.12	2.89	-65.77
CCC[N@@H+](C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614364	1	39	0.0	-70.08	312.38	2.87	-67.21
C[N@@H+]1CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614383	1	37	0.0	-67.82	293.21	2.02	-65.80
C[N@H+]1CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614383	1	37	0.0	-68.90	293.13	2.01	-66.89
O=C(C[NH+]1CCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614462	1	37	0.0	-69.36	298.64	2.60	-66.76
CCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL250004614471	0	39	0.0	-65.48	302.76	2.50	-62.98
C=C(C[NH+](C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614510	0	37	0.0	-76.91	305.07	2.52	-74.39
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614586	1	35	0.0	-65.71	302.59	3.09	-62.62
C[NH+](C)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004614588	1	37	0.0	-71.56	302.12	2.69	-68.87
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614693	1	37	0.0	-65.67	299.08	2.52	-63.15
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614693	1	37	0.0	-68.74	292.97	2.03	-66.71
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614694	1	37	0.0	-69.20	293.22	2.02	-67.18
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614694	1	37	0.0	-65.04	299.61	2.46	-62.58
C[C@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL250004614695	0	36	0.0	-66.20	290.99	1.87	-64.33
CC1=C[NH+]=CN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614699	1	35	0.0	-67.28	301.60	3.78	-63.50
C[C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL250004614708	0	36	0.0	-68.04	291.37	1.88	-66.16
CC[C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL250004614720	0	39	0.0	-64.37	301.77	2.56	-61.81
CC[C@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL250004614721	0	39	0.0	-65.50	303.09	2.51	-62.99
CC(C[NH+](C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614778	0	39	0.0	-71.07	311.82	2.73	-68.34
C[NH+](C)CC=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004614779	0	37	0.0	-72.17	310.37	2.71	-69.46
C[C@@H](O)C[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004614953	1	42	0.0	-72.77	324.74	1.66	-71.11
C[C@@H](O)C[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004614953	1	42	0.0	-72.81	324.80	1.67	-71.14
O=C(CCCC1=N[N-]N=N1)N1CC[NH+]2CCC1CC2	REAL250004614954	0	39	0.0	-78.69	289.66	4.52	-74.17
O=C(CCCC1=NN=N[N-]1)N1CC[NH+]2CCC1CC2	REAL250004614954	1	39	0.0	-78.77	289.72	4.53	-74.24
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+]2CCC1CC2	REAL250004614955	0	39	0.0	-63.31	294.45	5.13	-58.18
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+]2CCC1CC2	REAL250004614955	1	39	0.0	-63.31	294.39	5.12	-58.19
CCN(CCC[NH+](C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004614956	0	43	0.0	-66.45	336.69	5.57	-60.88
CCN(CCC[NH+](C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004614956	1	43	0.0	-66.46	336.75	5.58	-60.88
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CCO	REAL250004614964	0	45	0.0	-68.62	331.97	1.87	-66.75
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CCO	REAL250004614964	1	45	0.0	-68.86	330.51	2.23	-66.63
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CCO	REAL250004614964	1	45	0.0	-68.58	332.03	1.89	-66.69
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CCO	REAL250004614964	1	45	0.0	-68.88	330.57	2.24	-66.64
CCN(CCC[NH+](CC)CC)C(=O)CCCC1=N[N-]N=N1	REAL250004615000	0	49	0.0	-64.75	372.39	6.93	-57.82
CCN(CCC[NH+](CC)CC)C(=O)CCCC1=NN=N[N-]1	REAL250004615000	1	49	0.0	-64.77	372.44	6.95	-57.82
CCN(CCC[NH+]1CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004615001	0	47	0.0	-65.06	362.65	6.75	-58.31
CCN(CCC[NH+]1CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004615001	1	47	0.0	-65.10	362.71	6.76	-58.34
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004615006	0	41	0.0	-66.56	309.54	3.60	-62.96
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004615006	1	41	0.0	-66.54	309.60	3.61	-62.93
CN(CC[N@H+](C)C1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004615025	0	41	0.0	-62.90	324.49	5.29	-57.61
CN(CC[N@@H+](C)C1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004615025	1	41	0.0	-62.62	324.21	5.29	-57.33
CN(CC[N@H+](C)C1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004615025	1	41	0.0	-62.94	324.54	5.31	-57.63
CN(CC[N@@H+](C)C1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004615025	1	41	0.0	-62.64	324.27	5.30	-57.34
CCCN(CCC[NH+](C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004615042	0	46	0.0	-66.32	358.19	6.32	-60.00
CCCN(CCC[NH+](C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004615042	1	46	0.0	-66.37	358.24	6.34	-60.03
CC(C)[NH+]1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004615048	1	38	0.0	-67.03	305.30	2.81	-64.22
CC(C)[NH+]1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004615048	1	38	0.0	-67.02	305.36	2.82	-64.20
CN(CC1([NH+](C)C)CCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004615076	0	44	0.0	-66.63	321.02	5.43	-61.20
CN(CC1([NH+](C)C)CCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004615076	1	44	0.0	-66.63	321.08	5.45	-61.18
O=C(CCCC1=N[N-]N=N1)NCC[N@@H+]1CCCOCC1	REAL250004615091	0	42	0.0	-71.24	323.64	1.97	-69.27
O=C(CCCC1=N[N-]N=N1)NCC[N@H+]1CCCOCC1	REAL250004615091	1	42	0.0	-73.00	320.91	1.78	-71.22
O=C(CCCC1=NN=N[N-]1)NCC[N@@H+]1CCCOCC1	REAL250004615091	1	42	0.0	-71.25	323.69	1.98	-69.27
O=C(CCCC1=NN=N[N-]1)NCC[N@H+]1CCCOCC1	REAL250004615091	1	42	0.0	-73.02	320.96	1.79	-71.23
CC[NH+](CC)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615249	0	39	0.0	-56.48	294.82	3.81	-52.67
CC(C)[N@H+](C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615253	0	39	0.0	-55.10	298.27	3.81	-51.29
CC(C)[N@@H+](C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615253	1	39	0.0	-55.30	298.22	3.80	-51.50
C[NH+](C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615278	1	33	0.0	-58.97	263.80	2.61	-56.36
C[NH+](C)CCCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615283	0	42	0.0	-70.94	329.09	4.82	-66.12
C[NH+](C)CCCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615283	1	42	0.0	-70.92	329.16	4.81	-66.11
CCC[N@H+](C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615288	0	39	0.0	-57.85	303.03	4.03	-53.82
CCC[N@@H+](C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615288	1	39	0.0	-57.75	303.08	4.03	-53.72
C[N@@H+]1CCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615310	1	37	0.0	-56.53	288.61	3.51	-53.02
C[N@H+]1CCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615310	1	37	0.0	-56.07	283.03	3.36	-52.71
C[NH+]1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615324	0	40	0.0	-72.78	306.89	4.16	-68.62
C[NH+]1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615324	1	40	0.0	-72.83	306.96	4.17	-68.66
C[N@@H+]1CCCC[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615344	1	40	0.0	-53.42	302.16	4.24	-49.18
C[N@H+]1CCCC[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615344	1	40	0.0	-55.89	291.19	3.61	-52.28
O=C(C[NH+]1CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL250004615403	1	37	0.0	-57.45	288.55	3.68	-53.77
CC[N@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CC1	REAL250004615409	0	40	0.0	-54.33	312.65	4.74	-49.59
CC[N@@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CC1	REAL250004615409	1	40	0.0	-53.91	308.15	4.54	-49.37
CCC(C(=O)N1CCSCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004615417	0	39	0.0	-53.44	290.89	3.66	-49.78
C=C(C[NH+](C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615469	0	37	0.0	-78.81	281.63	3.47	-75.34
C=C(C[NH+](C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615469	1	37	0.0	-78.86	281.69	3.47	-75.39
CC1=[NH+]C=CN1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615558	1	35	0.0	-54.62	292.13	4.19	-50.43
CC1=[NH+]C=CN1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615558	1	35	0.0	-54.66	292.20	4.19	-50.47
C[N@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CCC1	REAL250004615625	0	40	0.0	-55.43	310.00	4.60	-50.83
C[N@@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CCC1	REAL250004615625	1	40	0.0	-55.65	309.91	4.59	-51.06
C[C@@H]1[C@H](C(=O)N2CCSCC2C2=NN=N[N-]2)CC[N@@H+]1C	REAL250004615660	0	40	0.0	-66.85	295.18	4.15	-62.70
C[C@@H]1[C@H](C(=O)N2CCSCC2C2=NN=N[N-]2)CC[N@H+]1C	REAL250004615660	1	40	0.0	-65.93	303.16	4.44	-61.49
C[C@@H]1[C@H](C(=O)N2CCSCC2C2=N[N-]N=N2)CC[N@@H+]1C	REAL250004615660	1	40	0.0	-66.85	295.12	4.13	-62.72
C[C@@H]1[C@H](C(=O)N2CCSCC2C2=N[N-]N=N2)CC[N@H+]1C	REAL250004615660	1	40	0.0	-65.89	303.10	4.43	-61.46
C[NH+](C)CC1(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615690	0	40	0.0	-60.55	310.85	4.40	-56.15
C[NH+](C)CC1(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615690	1	40	0.0	-60.54	310.91	4.41	-56.13
C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615699	1	37	0.0	-56.48	288.35	3.54	-52.94
C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615699	1	37	0.0	-56.90	281.96	3.33	-53.57
C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615700	1	37	0.0	-58.96	282.04	3.36	-55.60
C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615700	1	37	0.0	-55.31	285.47	3.47	-51.84
C[C@H](C(=O)N1CCSCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004615701	0	36	0.0	-56.72	276.52	3.13	-53.59
CC1=C[NH+]=CN1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615708	1	35	0.0	-58.78	292.50	4.93	-53.85
CC1=C[NH+]=CN1CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615708	1	35	0.0	-58.77	292.43	4.93	-53.84
C[C@@H](C(=O)N1CCSCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004615718	0	36	0.0	-56.94	279.14	3.16	-53.78
C=C(CC[NH+](C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615724	0	40	0.0	-85.02	306.41	4.09	-80.93
C=C(CC[NH+](C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615724	1	40	0.0	-85.01	306.47	4.11	-80.90
C[NH+]1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL250004615734	0	40	0.0	-72.78	306.89	4.16	-68.62
C[NH+]1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL250004615734	1	40	0.0	-72.83	306.96	4.17	-68.66
CC[C@@H](C(=O)N1CCSCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004615737	0	39	0.0	-53.60	291.25	3.74	-49.86
CC[C@H](C(=O)N1CCSCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004615738	0	39	0.0	-57.53	290.46	3.83	-53.70
CC(CC[NH+](C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615775	0	42	0.0	-67.74	320.94	4.56	-63.18
CC(CC[NH+](C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615775	1	42	0.0	-67.74	321.00	4.57	-63.17
CC(C)(C)[NH2+]CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615800	0	42	0.0	-67.57	324.23	2.96	-64.61
CC(C)(C)[NH2+]CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615800	1	42	0.0	-67.58	324.30	2.98	-64.60
CC(C[NH+](C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615807	0	39	0.0	-51.88	298.91	3.82	-48.06
CC(C[NH+](C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615807	1	39	0.0	-51.90	298.97	3.84	-48.06
C[NH+](C)CC=CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615808	0	37	0.0	-71.85	299.90	3.88	-67.97
C[NH+](C)CC=CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615808	1	37	0.0	-71.90	299.97	3.88	-68.02
C=CCC(C(=O)N1CCSCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004615826	0	40	0.0	-51.94	305.23	4.16	-47.78
C[N@@H+]1CCCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615828	0	40	0.0	-49.58	295.49	4.13	-45.45
C[N@H+]1CCCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615828	1	40	0.0	-65.78	307.43	4.26	-61.52
C[N@@H+]1CCCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615828	1	40	0.0	-49.62	295.42	4.13	-45.49
C[N@H+]1CCCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615828	1	40	0.0	-65.74	307.36	4.24	-61.50
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL250004615979	0	40	0.0	-65.65	312.94	4.39	-61.26
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL250004615979	1	40	0.0	-65.70	313.01	4.40	-61.30
C[C@H](O)C[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004616025	1	42	0.0	-72.73	324.64	1.63	-71.10
C[C@H](O)C[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004616025	1	42	0.0	-72.72	324.69	1.64	-71.08
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004616037	0	41	0.0	-69.60	317.80	4.35	-65.25
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004616037	1	41	0.0	-69.65	317.85	4.36	-65.29
CC(O)C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004616098	0	45	0.0	-73.11	339.40	2.21	-70.90
CC(O)C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004616098	1	45	0.0	-70.48	339.39	2.28	-68.20
CC(O)C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004616098	1	45	0.0	-73.12	339.45	2.22	-70.90
CC(O)C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004616098	1	45	0.0	-70.46	339.45	2.30	-68.16
CC[N@H+](CCO)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004616112	0	41	0.0	-68.50	318.71	-0.41	-68.91
CC[N@@H+](CCO)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004616112	1	41	0.0	-68.96	322.69	-0.12	-69.08
CC[N@H+](CCO)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004616112	1	41	0.0	-68.50	318.76	-0.40	-68.90
CC[N@@H+](CCO)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004616112	1	41	0.0	-68.96	322.74	-0.11	-69.07
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004616121	0	41	0.0	-71.73	303.92	4.51	-67.22
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004616121	1	41	0.0	-71.75	303.87	4.49	-67.26
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004616121	1	41	0.0	-71.79	303.97	4.53	-67.26
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004616121	1	41	0.0	-71.79	303.92	4.51	-67.28
CC1=[NH+]C=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004616164	1	39	0.0	-66.32	325.73	4.07	-62.25
CC1=[NH+]C=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004616164	1	39	0.0	-66.31	325.79	4.09	-62.22
CC[NH+](CC)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616341	0	42	0.0	-58.15	310.04	1.09	-57.06
CC(C)[N@H+](C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616346	0	42	0.0	-57.43	312.88	1.22	-56.21
CC(C)[N@@H+](C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616346	1	42	0.0	-56.94	312.88	1.21	-55.73
CC(C)(C)[NH2+]CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616355	0	42	0.0	-58.42	317.34	-0.26	-58.68
CC(C)(C)[NH2+]CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616355	1	42	0.0	-58.50	317.40	-0.26	-58.76
C[NH+](C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616379	1	36	0.0	-60.77	278.45	0.02	-60.75
C[NH+](C)CCCCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616384	0	45	0.0	-64.96	343.75	2.19	-62.77
C[NH+](C)CCCCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616384	1	45	0.0	-64.94	343.81	2.20	-62.74
CC(C)C(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)[NH+](C)C	REAL250004616386	0	45	0.0	-56.01	321.58	1.58	-54.43
CC(C)C(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004616386	1	45	0.0	-56.02	321.64	1.58	-54.44
CCC[N@H+](C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616391	0	42	0.0	-59.81	317.70	1.43	-58.38
CCC[N@@H+](C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616391	1	42	0.0	-59.99	317.71	1.42	-58.57
C[N@@H+]1CCCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616407	0	43	0.0	-56.98	318.21	1.56	-55.42
C[N@H+]1CCCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616407	1	43	0.0	-54.52	319.03	1.61	-52.91
C[N@@H+]1CCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616420	0	40	0.0	-55.75	300.32	0.78	-54.97
C[N@H+]1CCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616420	1	40	0.0	-57.16	298.09	0.71	-56.45
C[NH+]1CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616437	0	43	0.0	-66.72	322.31	1.59	-65.13
C[NH+]1CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616437	1	43	0.0	-66.74	322.37	1.59	-65.15
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616458	0	43	0.0	-54.82	318.86	1.59	-53.23
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616458	1	43	0.0	-60.54	311.10	1.24	-59.30
C[NH+](C)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCC1	REAL250004616493	0	43	0.0	-56.19	302.81	0.89	-55.30
CC(C)[C@@H](C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)[NH+](C)C	REAL250004616504	0	45	0.0	-55.25	319.82	1.43	-53.82
CC(C)[C@@H](C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004616504	1	45	0.0	-55.23	319.89	1.44	-53.79
O=C(C[NH+]1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616543	0	40	0.0	-58.97	302.63	1.12	-57.85
CC[N@H+](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004616550	0	43	0.0	-55.62	327.04	2.05	-53.57
CC[N@@H+](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CC1	REAL250004616550	1	43	0.0	-56.74	324.84	1.98	-54.76
CCC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004616559	0	42	0.0	-56.57	308.40	1.04	-55.53
CCCC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004616562	0	45	0.0	-57.38	330.58	1.83	-55.55
C=C(C[NH+](C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616632	0	40	0.0	-65.72	307.34	1.20	-64.52
C=C(C[NH+](C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616632	1	40	0.0	-65.73	307.40	1.20	-64.53
CC1=[NH+]C=CN1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616750	1	38	0.0	-56.14	306.81	1.58	-54.56
CC1=[NH+]C=CN1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616750	1	38	0.0	-56.18	306.87	1.59	-54.59
C[NH+](C)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616752	0	40	0.0	-55.44	297.44	0.46	-54.98
C[N@H+](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004616838	0	43	0.0	-57.41	324.63	1.99	-55.42
C[N@@H+](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004616838	1	43	0.0	-57.88	324.72	2.00	-55.88
C[C@@H]1[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC[N@@H+]1C	REAL250004616881	0	43	0.0	-66.41	314.25	1.07	-65.34
C[C@@H]1[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC[N@H+]1C	REAL250004616881	1	43	0.0	-65.19	320.76	1.41	-63.78
C[C@@H]1[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC[N@@H+]1C	REAL250004616881	1	43	0.0	-66.40	314.31	1.07	-65.33
C[C@@H]1[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC[N@H+]1C	REAL250004616881	1	43	0.0	-65.24	320.83	1.42	-63.82
C[NH+](C)CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616918	0	43	0.0	-65.66	315.45	1.50	-64.16
C[NH+](C)CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616918	1	43	0.0	-65.68	315.51	1.50	-64.18
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616928	0	40	0.0	-57.28	300.30	0.85	-56.43
C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616928	1	40	0.0	-55.51	296.89	0.54	-54.97
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616929	0	40	0.0	-59.65	297.42	0.53	-59.12
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616929	1	40	0.0	-54.18	304.04	0.93	-53.25
C[C@H](C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004616930	0	39	0.0	-59.09	294.83	0.38	-58.71
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CC[NH+](CC1)C2	REAL250004616932	0	41	0.0	-64.44	302.51	0.27	-64.17
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CC[NH+](CC1)C2	REAL250004616932	1	41	0.0	-64.42	302.57	0.27	-64.15
CC1=C[NH+]=CN1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616939	1	38	0.0	-58.52	308.22	2.36	-56.16
CC1=C[NH+]=CN1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616939	1	38	0.0	-58.49	308.15	2.36	-56.13
C[C@@H](C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004616952	0	39	0.0	-57.41	294.86	0.41	-57.00
C=C(CC[NH+](C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616958	0	43	0.0	-59.71	337.27	1.75	-57.96
C=C(CC[NH+](C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616958	1	43	0.0	-59.73	337.33	1.76	-57.97
C[NH+]1CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL250004616969	0	43	0.0	-66.72	322.31	1.59	-65.13
C[NH+]1CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL250004616969	1	43	0.0	-66.74	322.37	1.59	-65.15
CC[C@@H](C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004616972	0	42	0.0	-57.55	308.09	0.99	-56.56
CC[C@H](C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004616973	0	42	0.0	-59.31	307.89	1.05	-58.26
C[N@@H+]1CCCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616998	0	43	0.0	-56.98	318.21	1.56	-55.42
C[N@H+]1CCCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616998	1	43	0.0	-54.52	319.03	1.61	-52.91
CC[N@@H+]1CCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617019	1	40	0.0	-58.34	300.03	0.58	-57.76
CC[N@H+]1CCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617019	1	40	0.0	-58.95	309.59	0.98	-57.97
CC(CC[NH+](C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617021	0	45	0.0	-65.23	337.60	1.76	-63.47
CC(CC[NH+](C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617021	1	45	0.0	-65.23	337.66	1.76	-63.47
CC(C)(C)[NH2+]CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617053	0	45	0.0	-64.81	338.89	0.36	-64.45
CC(C)(C)[NH2+]CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617053	1	45	0.0	-64.79	338.96	0.36	-64.43
C[NH+](C)CC(O)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617062	0	43	0.0	-67.16	330.98	-0.92	-68.08
C[NH+](C)CC(O)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617062	1	43	0.0	-67.17	331.05	-0.92	-68.09
CC(C[NH+](C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617063	0	42	0.0	-63.71	317.62	1.21	-62.50
CC(C[NH+](C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617063	1	42	0.0	-63.76	317.68	1.22	-62.54
C[NH+](C)CC=CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617064	0	40	0.0	-66.40	314.55	1.27	-65.13
C[NH+](C)CC=CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617064	1	40	0.0	-66.45	314.61	1.28	-65.17
C=CCC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004617085	0	43	0.0	-55.87	319.82	1.41	-54.46
C[N@@H+]1CCCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617088	0	43	0.0	-63.59	322.90	1.57	-62.02
C[N@H+]1CCCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617088	1	43	0.0	-53.75	313.25	1.66	-52.09
C[N@@H+]1CCCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617088	1	43	0.0	-63.55	322.96	1.58	-61.97
C[N@H+]1CCCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617088	1	43	0.0	-53.74	313.31	1.67	-52.07
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL250004617280	0	43	0.0	-60.63	327.41	1.73	-58.90
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL250004617280	1	43	0.0	-60.66	327.47	1.74	-58.92
C[NH+]1CCN(C(=O)NNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004617328	1	41	0.0	-74.19	328.57	1.86	-72.33
CC1=[NH+]C=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004617345	1	39	0.0	-66.32	325.73	4.07	-62.25
CC1=[NH+]C=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004617345	1	39	0.0	-66.31	325.79	4.09	-62.22
CN(CCC[NH+]1CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004617355	0	44	0.0	-65.22	342.68	5.84	-59.38
CN(CCC[NH+]1CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004617355	1	44	0.0	-65.26	342.74	5.85	-59.41
CC1(C)CCC[N@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004617383	0	47	0.0	-68.76	353.06	4.73	-64.03
CC1(C)CCC[N@@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004617383	1	47	0.0	-68.75	353.05	4.73	-64.02
CC1(C)CCC[N@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004617383	1	47	0.0	-68.74	353.12	4.74	-64.00
CC1(C)CCC[N@@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004617383	1	47	0.0	-68.74	353.11	4.74	-64.00
C[NH+](C)CC1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004617386	0	41	0.0	-62.60	314.13	3.62	-58.98
C[NH+](C)CC1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004617386	1	41	0.0	-62.61	314.18	3.63	-58.98
O=C(CCCC1=N[N-]N=N1)NCC12CCC[NH+]1CCC2	REAL250004617479	0	42	0.0	-65.78	320.68	4.00	-61.78
O=C(CCCC1=NN=N[N-]1)NCC12CCC[NH+]1CCC2	REAL250004617479	1	42	0.0	-65.80	320.74	4.02	-61.78
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=[NH+]C=CN2)CC1	REAL250004617482	1	39	0.0	-67.81	311.38	3.88	-63.93
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=[NH+]C=CN2)CC1	REAL250004617482	1	39	0.0	-67.89	311.44	3.89	-64.00
C[NH+]1CCN(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL250004617484	0	44	0.0	-74.74	343.96	2.76	-71.98
C[NH+]1CCN(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL250004617484	1	44	0.0	-74.76	344.02	2.77	-71.99
C[NH+]1CC2(C1)CCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004617485	0	39	0.0	-73.25	308.78	4.04	-69.21
C[NH+]1CC2(C1)CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004617485	1	39	0.0	-73.25	308.84	4.05	-69.20
C[NH+]1CC2(C1)CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL250004617486	0	39	0.0	-64.24	316.35	4.32	-59.92
C[NH+]1CC2(C1)CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL250004617486	1	39	0.0	-64.27	316.28	4.31	-59.96
CCC1C[N@H+](C)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004617492	0	44	0.0	-68.66	321.77	5.88	-62.78
CCC1C[N@@H+](C)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004617492	1	44	0.0	-66.88	319.92	5.45	-61.43
CCC1C[N@H+](C)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004617492	1	44	0.0	-68.66	321.82	5.90	-62.76
CCC1C[N@@H+](C)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004617492	1	44	0.0	-66.89	319.98	5.46	-61.43
C[N@H+]1C[C@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]2C1	REAL250004617498	0	39	0.0	-74.62	302.70	4.18	-70.44
C[N@@H+]1C[C@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]2C1	REAL250004617498	1	39	0.0	-72.53	302.37	4.16	-68.37
C[N@H+]1C[C@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]2C1	REAL250004617498	1	39	0.0	-74.65	302.76	4.19	-70.46
C[N@@H+]1C[C@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]2C1	REAL250004617498	1	39	0.0	-72.54	302.43	4.18	-68.36
C[N@H+]1C[C@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]2C1	REAL250004617499	0	39	0.0	-62.66	310.12	4.40	-58.26
C[N@@H+]1C[C@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]2C1	REAL250004617499	1	39	0.0	-61.44	309.67	4.39	-57.05
C[N@H+]1C[C@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]2C1	REAL250004617499	1	39	0.0	-62.62	310.19	4.41	-58.21
C[N@@H+]1C[C@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]2C1	REAL250004617499	1	39	0.0	-61.41	309.74	4.39	-57.02
O=C(CCCC1=N[N-]N=N1)NCC1CC[NH+](C2CC2)CC1	REAL250004617502	0	45	0.0	-70.35	344.97	4.91	-65.44
O=C(CCCC1=NN=N[N-]1)NCC1CC[NH+](C2CC2)CC1	REAL250004617502	1	45	0.0	-70.35	345.03	4.93	-65.42
CC1=CC[N@H+](CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004617525	0	42	0.0	-70.61	331.63	4.16	-66.45
CC1=CC[N@@H+](CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004617525	1	42	0.0	-70.69	331.58	4.16	-66.53
CC1=CC[N@H+](CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004617525	1	42	0.0	-70.66	331.68	4.17	-66.49
CC1=CC[N@@H+](CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004617525	1	42	0.0	-70.70	331.64	4.17	-66.53
O=C(CCCC1=N[N-]N=N1)NCC[N@H+]1CC=CCC1	REAL250004617526	0	39	0.0	-70.16	310.81	3.52	-66.64
O=C(CCCC1=N[N-]N=N1)NCC[N@@H+]1CC=CCC1	REAL250004617526	1	39	0.0	-70.13	310.82	3.52	-66.61
O=C(CCCC1=NN=N[N-]1)NCC[N@H+]1CC=CCC1	REAL250004617526	1	39	0.0	-70.17	310.87	3.53	-66.64
O=C(CCCC1=NN=N[N-]1)NCC[N@@H+]1CC=CCC1	REAL250004617526	1	39	0.0	-70.16	310.88	3.53	-66.63
O=C(NCC[N@H+]1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617527	1	39	0.0	-59.41	321.48	3.32	-56.09
O=C(NCC[N@@H+]1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617527	1	39	0.0	-59.39	321.48	3.33	-56.06
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C[NH+]1CCCC1	REAL250004617551	0	47	0.0	-69.23	346.28	4.95	-64.28
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C[NH+]1CCCC1	REAL250004617551	1	47	0.0	-69.26	346.34	4.97	-64.29
O=C(CCCC1=NN=N[N-]1)N1CCC([NH+]2CCC2)C(F)C1	REAL250004617573	1	42	0.0	-75.98	327.35	5.22	-70.76
C=CC[N@@H+](C)CCN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004617576	0	44	0.0	-64.86	346.16	6.01	-58.85
C=CC[N@H+](C)CCN(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004617576	1	44	0.0	-64.57	347.42	6.07	-58.50
C=CC[N@@H+](C)CCN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004617576	1	44	0.0	-64.88	346.22	6.03	-58.85
C=CC[N@H+](C)CCN(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004617576	1	44	0.0	-64.54	347.48	6.08	-58.46
CC[NH+](CC)[C@H](C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004617608	0	43	0.0	-65.99	318.59	4.30	-61.69
CC[NH+](CC)[C@H](C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004617608	1	43	0.0	-66.03	318.65	4.32	-61.71
O=C(CCCC1=N[N-]N=N1)NCC[N@H+]1CC=CCC1	REAL250004617644	0	39	0.0	-70.16	310.81	3.52	-66.64
O=C(CCCC1=N[N-]N=N1)NCC[N@@H+]1CC=CCC1	REAL250004617644	1	39	0.0	-70.13	310.82	3.52	-66.61
O=C(CCCC1=NN=N[N-]1)NCC[N@H+]1CC=CCC1	REAL250004617644	1	39	0.0	-70.17	310.87	3.53	-66.64
O=C(CCCC1=NN=N[N-]1)NCC[N@@H+]1CC=CCC1	REAL250004617644	1	39	0.0	-70.16	310.88	3.53	-66.63
O=C(NCC[N@H+]1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617645	1	39	0.0	-59.41	321.48	3.32	-56.09
O=C(NCC[N@@H+]1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004617645	1	39	0.0	-59.39	321.48	3.33	-56.06
C[N@@H+]1CCCC(C)(C)C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004617648	0	47	0.0	-71.11	337.51	4.84	-66.27
C[N@H+]1CCCC(C)(C)C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004617648	1	47	0.0	-68.59	337.40	5.71	-62.88
C[N@@H+]1CCCC(C)(C)C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004617648	1	47	0.0	-71.12	337.57	4.86	-66.26
C[N@H+]1CCCC(C)(C)C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004617648	1	47	0.0	-68.58	337.46	5.73	-62.85
CC[NH+](CC)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004617946	0	43	0.0	-49.25	312.23	4.23	-45.02
CCC(CC)(NC(=O)C[N@H+](C)C(C)C)C1=NN=N[N-]1	REAL250004617952	0	43	0.0	-48.29	309.77	4.17	-44.12
CCC(CC)(NC(=O)C[N@@H+](C)C(C)C)C1=NN=N[N-]1	REAL250004617952	1	43	0.0	-48.71	310.55	4.07	-44.64
CCC(CC)(NC(=O)C[NH2+]C(C)(C)C)C1=N[N-]N=N1	REAL250004617962	0	43	0.0	-49.99	315.02	2.59	-47.40
CCC(CC)(NC(=O)C[NH2+]C(C)(C)C)C1=NN=N[N-]1	REAL250004617962	1	43	0.0	-49.97	315.09	2.60	-47.37
CCC(CC)(NC(=O)CC[NH+]1CCOCC1)C1=NN=N[N-]1	REAL250004617966	1	45	0.0	-56.13	331.41	2.87	-53.26
CCC(CC)(NC(=O)CCCC[NH+](C)C)C1=N[N-]N=N1	REAL250004618003	0	46	0.0	-57.52	341.43	5.00	-52.52
CCC(CC)(NC(=O)CCCC[NH+](C)C)C1=NN=N[N-]1	REAL250004618003	1	46	0.0	-57.51	341.50	5.01	-52.50
CCC[N@H+](C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618010	0	43	0.0	-51.08	315.36	4.28	-46.80
CCC[N@@H+](C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618010	1	43	0.0	-51.07	315.36	4.27	-46.80
CC[N@@H+]1CCOC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL250004618040	1	45	0.0	-54.68	331.29	3.82	-50.86
CC[N@H+]1CCOC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL250004618040	1	45	0.0	-54.67	331.33	3.81	-50.86
CCC(CC)(NC(=O)C1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004618055	1	41	0.0	-48.03	301.83	3.82	-44.21
CCC(CC)(NC(=O)C1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004618055	1	41	0.0	-49.24	291.90	3.41	-45.83
CCC(CC)(NC(=O)C[NH+]1C(C)CCC1C)C1=NN=N[N-]1	REAL250004618070	0	47	0.0	-47.21	333.27	4.89	-42.32
CCC(CC)(NC(=O)C1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004618079	0	44	0.0	-56.58	319.87	4.63	-51.95
CCC(CC)(NC(=O)C1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004618079	1	44	0.0	-56.58	319.93	4.63	-51.95
CCC(C(=O)NC(CC)(CC)C1=N[N-]N=N1)[NH+](CC)CC	REAL250004618084	0	49	0.0	-45.44	342.33	5.22	-40.22
CCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)[NH+](CC)CC	REAL250004618084	1	49	0.0	-45.42	342.40	5.24	-40.18
CCC(CC)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004618118	1	44	0.0	-50.10	304.72	4.12	-45.98
CCC(CC)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1=NN=N[N-]1	REAL250004618118	1	44	0.0	-47.46	317.29	4.58	-42.88
CCC(CC)(NC(=O)C[NH+]1CCC(C)CC1)C1=NN=N[N-]1	REAL250004618157	0	47	0.0	-50.61	339.10	5.36	-45.25
CCC(CC)(NC(=O)C[NH+]1CCCC1)C1=NN=N[N-]1	REAL250004618211	1	41	0.0	-49.88	300.89	3.94	-45.94
CC[N@H+](CC(=O)NC(CC)(CC)C1=NN=N[N-]1)C1CC1	REAL250004618224	0	44	0.0	-48.53	322.49	4.85	-43.68
CC[N@@H+](CC(=O)NC(CC)(CC)C1=NN=N[N-]1)C1CC1	REAL250004618224	1	44	0.0	-48.54	322.50	4.85	-43.69
CCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)[NH+](C)C	REAL250004618237	0	43	0.0	-50.18	308.74	4.03	-46.15
CCC(CC)(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=NN=N[N-]1	REAL250004618243	1	39	0.0	-58.53	306.56	6.38	-52.15
CCC(C)(C)[NH2+]C(C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618253	0	49	0.0	-49.86	336.24	3.13	-46.73
CCC(C)(C)[NH2+]C(C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618253	1	49	0.0	-49.88	336.30	3.14	-46.74
C=C(C[NH+](C)C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618346	0	41	0.0	-50.55	308.19	3.91	-46.64
C=C(C[NH+](C)C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618346	1	41	0.0	-50.57	308.25	3.92	-46.65
CCC(CC)(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=NN=N[N-]1	REAL250004618495	1	39	0.0	-55.90	306.28	6.38	-49.52
CCC(CC)(NC(=O)CN1C=C[NH+]=C1C)C1=N[N-]N=N1	REAL250004618498	1	39	0.0	-48.23	305.47	4.47	-43.76
CCC(CC)(NC(=O)CN1C=C[NH+]=C1C)C1=NN=N[N-]1	REAL250004618498	1	39	0.0	-48.24	305.54	4.48	-43.76
CCC(CC)(NC(=O)C[N@H+](C)C1CCC1)C1=NN=N[N-]1	REAL250004618626	0	44	0.0	-48.99	322.37	4.86	-44.13
CCC(CC)(NC(=O)C[N@@H+](C)C1CCC1)C1=NN=N[N-]1	REAL250004618626	1	44	0.0	-48.87	322.23	4.85	-44.02
CC[C@@H]1[C@@H](C(=O)NC(CC)(CC)C2=NN=N[N-]2)CC[N@@H+]1C	REAL250004618685	0	47	0.0	-54.78	333.59	4.54	-50.24
CC[C@@H]1[C@@H](C(=O)NC(CC)(CC)C2=NN=N[N-]2)CC[N@H+]1C	REAL250004618685	1	47	0.0	-53.93	338.78	4.95	-48.98
CC[C@@H]1[C@@H](C(=O)NC(CC)(CC)C2=N[N-]N=N2)CC[N@@H+]1C	REAL250004618685	1	47	0.0	-54.79	333.53	4.52	-50.27
CC[C@@H]1[C@@H](C(=O)NC(CC)(CC)C2=N[N-]N=N2)CC[N@H+]1C	REAL250004618685	1	47	0.0	-53.88	338.71	4.94	-48.94
CCC(CC)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1=NN=N[N-]1	REAL250004618692	0	44	0.0	-55.67	307.75	3.71	-51.96
CCC(CC)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1=NN=N[N-]1	REAL250004618692	1	44	0.0	-54.60	313.92	4.03	-50.57
CCC(CC)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1=N[N-]N=N1	REAL250004618692	1	44	0.0	-55.69	307.68	3.72	-51.97
CCC(CC)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1=N[N-]N=N1	REAL250004618692	1	44	0.0	-54.60	313.86	4.03	-50.57
CCC(CC)(NC(=O)C1CC[N@@H+]1C(C)(C)C)C1=NN=N[N-]1	REAL250004618708	1	47	0.0	-47.08	337.69	4.62	-42.46
CCC(CC)(NC(=O)C1CC[N@H+]1C(C)(C)C)C1=NN=N[N-]1	REAL250004618708	1	47	0.0	-48.11	310.33	4.23	-43.88
CCC(CC)(NC(=O)C12CC[N@H+](C1)CCC2)C1=NN=N[N-]1	REAL250004618719	0	45	0.0	-54.48	317.11	4.17	-50.31
CCC(CC)(NC(=O)C12CC[N@@H+](C1)CCC2)C1=NN=N[N-]1	REAL250004618719	1	45	0.0	-55.69	318.01	4.09	-51.60
CCC(CC)(NC(=O)C12CC[N@H+](C1)CCC2)C1=N[N-]N=N1	REAL250004618719	1	45	0.0	-54.45	317.05	4.16	-50.29
CCC(CC)(NC(=O)C12CC[N@@H+](C1)CCC2)C1=N[N-]N=N1	REAL250004618719	1	45	0.0	-55.70	317.94	4.08	-51.62
CCC(CC)(NC(=O)C1(C[NH+](C)C)CC1)C1=N[N-]N=N1	REAL250004618751	0	44	0.0	-50.13	324.77	4.71	-45.42
CCC(CC)(NC(=O)C1(C[NH+](C)C)CC1)C1=NN=N[N-]1	REAL250004618751	1	44	0.0	-50.19	324.82	4.72	-45.47
CCC(CC)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004618767	1	41	0.0	-49.59	294.05	3.34	-46.25
CCC(CC)(NC(=O)[C@@H]1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004618767	1	41	0.0	-48.75	300.99	3.93	-44.82
CCC(CC)(NC(=O)[C@H]1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004618768	1	41	0.0	-48.55	302.21	3.90	-44.65
CCC(CC)(NC(=O)[C@H]1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004618768	1	41	0.0	-49.56	292.61	3.31	-46.25
CCC(CC)(NC(=O)[C@@H](C)[NH+](C)C)C1=NN=N[N-]1	REAL250004618769	0	40	0.0	-49.63	293.46	3.40	-46.23
CCC(CC)(NC(=O)C12CC[NH+](CC1)C2)C1=NN=N[N-]1	REAL250004618771	0	42	0.0	-55.35	307.64	3.41	-51.94
CCC(CC)(NC(=O)C12CC[NH+](CC1)C2)C1=N[N-]N=N1	REAL250004618771	1	42	0.0	-55.31	307.57	3.39	-51.92
CCC(CC)(NC(=O)CN1C=[NH+]C=C1C)C1=NN=N[N-]1	REAL250004618783	1	39	0.0	-50.98	304.85	5.17	-45.81
CCC(CC)(NC(=O)CN1C=[NH+]C=C1C)C1=N[N-]N=N1	REAL250004618783	1	39	0.0	-50.95	304.78	5.15	-45.80
CCC(CC)(NC(=O)[C@H](C)[NH+](C)C)C1=NN=N[N-]1	REAL250004618800	0	40	0.0	-49.97	294.03	3.29	-46.68
CCC(CC)(NC(=O)C1C[N@H+](C)CC(C)O1)C1=NN=N[N-]1	REAL250004618803	1	45	0.0	-50.53	325.77	3.78	-46.75
CCC(CC)(NC(=O)C1C[N@@H+](C)CC(C)O1)C1=NN=N[N-]1	REAL250004618803	1	45	0.0	-57.38	326.71	3.58	-53.80
CCC(CC)(NC(=O)CCC1CCC[N@@H+]1C)C1=N[N-]N=N1	REAL250004618804	0	47	0.0	-54.29	337.23	4.99	-49.30
CCC(CC)(NC(=O)CCC1CCC[N@H+]1C)C1=N[N-]N=N1	REAL250004618804	1	47	0.0	-54.56	337.96	4.88	-49.68
CCC(CC)(NC(=O)CCC1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004618804	1	47	0.0	-54.22	337.29	5.00	-49.22
CCC(CC)(NC(=O)CCC1CCC[N@H+]1C)C1=NN=N[N-]1	REAL250004618804	1	47	0.0	-54.56	338.03	4.89	-49.67
CCC(CC)(NC(=O)C[N@H+](C)CC(C)(C)C)C1=N[N-]N=N1	REAL250004618810	0	49	0.0	-50.12	345.85	5.41	-44.71
CCC(CC)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1=N[N-]N=N1	REAL250004618810	1	49	0.0	-50.01	345.70	5.35	-44.66
CCC(CC)(NC(=O)C[N@H+](C)CC(C)(C)C)C1=NN=N[N-]1	REAL250004618810	1	49	0.0	-50.13	345.91	5.42	-44.71
CCC(CC)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1=NN=N[N-]1	REAL250004618810	1	49	0.0	-50.05	345.76	5.37	-44.68
C=C(CC[NH+](C)C)C(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL250004618813	0	44	0.0	-51.45	330.00	4.71	-46.74
C=C(CC[NH+](C)C)C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618813	1	44	0.0	-51.43	330.07	4.73	-46.70
CCC(CC)(NC(=O)C1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004618835	0	44	0.0	-56.58	319.87	4.63	-51.95
CCC(CC)(NC(=O)C1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004618835	1	44	0.0	-56.58	319.93	4.63	-51.95
CC[C@@H](C(=O)NC(CC)(CC)C1=NN=N[N-]1)[NH+](C)C	REAL250004618840	0	43	0.0	-49.04	306.55	3.91	-45.13
CC[C@H](C(=O)NC(CC)(CC)C1=NN=N[N-]1)[NH+](C)C	REAL250004618841	0	43	0.0	-49.05	306.53	3.86	-45.19
CCC(CC)(NC(=O)C1CCCC[N@@H+]1C)C1=NN=N[N-]1	REAL250004618880	1	44	0.0	-47.92	318.10	4.47	-43.45
CCC(CC)(NC(=O)C1CCCC[N@H+]1C)C1=NN=N[N-]1	REAL250004618880	1	44	0.0	-47.80	318.09	4.47	-43.33
CC[N@@H+]1CCC1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618920	1	41	0.0	-49.83	307.79	3.89	-45.94
CC[N@H+]1CCC1C(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL250004618920	1	41	0.0	-48.80	300.70	3.52	-45.28
CCC(CC)(NC(=O)CC[N@@H+]1CCC(F)C1)C1=NN=N[N-]1	REAL250004618924	0	44	0.0	-56.84	330.33	4.68	-52.16
CCC(CC)(NC(=O)CC[N@H+]1CCC(F)C1)C1=NN=N[N-]1	REAL250004618924	1	44	0.0	-56.49	329.56	4.79	-51.70
CCC(CC)(NC(=O)C(C)CC[NH+](C)C)C1=N[N-]N=N1	REAL250004618927	0	46	0.0	-56.93	336.11	4.74	-52.19
CCC(CC)(NC(=O)C(C)CC[NH+](C)C)C1=NN=N[N-]1	REAL250004618927	1	46	0.0	-56.98	336.18	4.76	-52.22
CCC(CC)(NC(=O)C1CCC[N@@H+]1C(C)C)C1=NN=N[N-]1	REAL250004618977	0	47	0.0	-46.13	337.79	5.07	-41.06
CCC(CC)(NC(=O)C1CCC[N@H+]1C(C)C)C1=NN=N[N-]1	REAL250004618977	1	47	0.0	-48.43	306.93	4.00	-44.43
CCC(CC)(NC(=O)CC[NH2+]C(C)(C)C)C1=N[N-]N=N1	REAL250004618982	0	46	0.0	-55.83	336.57	3.15	-52.68
CCC(CC)(NC(=O)CC[NH2+]C(C)(C)C)C1=NN=N[N-]1	REAL250004618982	1	46	0.0	-55.83	336.64	3.17	-52.66
CCC(CC)(NC(=O)CC(O)C[NH+](C)C)C1=N[N-]N=N1	REAL250004619000	0	44	0.0	-59.03	328.77	1.75	-57.28
CCC(CC)(NC(=O)CC(O)C[NH+](C)C)C1=NN=N[N-]1	REAL250004619000	1	44	0.0	-59.08	328.84	1.77	-57.31
CCC(CC)(NC(=O)C(C)C[NH+](C)C)C1=N[N-]N=N1	REAL250004619001	0	43	0.0	-50.24	314.26	4.21	-46.03
CCC(CC)(NC(=O)C(C)C[NH+](C)C)C1=NN=N[N-]1	REAL250004619001	1	43	0.0	-50.28	314.33	4.22	-46.06
CCC(CC)(NC(=O)C=CC[NH+](C)C)C1=N[N-]N=N1	REAL250004619002	0	41	0.0	-58.29	312.02	4.07	-54.22
CCC(CC)(NC(=O)C=CC[NH+](C)C)C1=NN=N[N-]1	REAL250004619002	1	41	0.0	-58.30	312.08	4.09	-54.21
C=CCC(C(=O)NC(CC)(CC)C1=NN=N[N-]1)[NH+](C)C	REAL250004619044	0	44	0.0	-49.66	322.72	4.54	-45.12
CCC(CC)(NC(=O)C1CCC[N@H+](C)C1)C1=NN=N[N-]1	REAL250004619050	0	44	0.0	-49.46	310.28	4.69	-44.77
CCC(CC)(NC(=O)C1CCC[N@@H+](C)C1)C1=NN=N[N-]1	REAL250004619050	1	44	0.0	-54.77	320.72	4.48	-50.29
CCC(CC)(NC(=O)C1CCC[N@H+](C)C1)C1=N[N-]N=N1	REAL250004619050	1	44	0.0	-49.43	310.22	4.68	-44.75
CCC(CC)(NC(=O)C1CCC[N@@H+](C)C1)C1=N[N-]N=N1	REAL250004619050	1	44	0.0	-54.78	320.66	4.46	-50.32
CCC(CC)(NC(=O)CC1=CC[N@H+](C)CC1)C1=N[N-]N=N1	REAL250004619068	0	45	0.0	-55.95	335.20	5.18	-50.77
CCC(CC)(NC(=O)CC1=CC[N@@H+](C)CC1)C1=N[N-]N=N1	REAL250004619068	1	45	0.0	-54.59	335.20	5.18	-49.41
CCC(CC)(NC(=O)CC1=CC[N@H+](C)CC1)C1=NN=N[N-]1	REAL250004619068	1	45	0.0	-55.94	335.27	5.20	-50.74
CCC(CC)(NC(=O)CC1=CC[N@@H+](C)CC1)C1=NN=N[N-]1	REAL250004619068	1	45	0.0	-54.61	335.26	5.20	-49.41
CCC(CC)(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1=N[N-]N=N1	REAL250004619353	0	44	0.0	-54.75	324.81	4.70	-50.05
CCC(CC)(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C1=NN=N[N-]1	REAL250004619353	1	44	0.0	-54.77	324.88	4.70	-50.07
CC[N@@H+]1CCCC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL250004619370	0	47	0.0	-49.11	327.52	5.19	-43.92
CC[N@H+]1CCCC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL250004619370	1	47	0.0	-49.09	328.75	5.23	-43.86
CC[N@@H+]1CCCC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C1	REAL250004619370	1	47	0.0	-49.10	327.45	5.17	-43.93
CC[N@H+]1CCCC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C1	REAL250004619370	1	47	0.0	-49.13	328.69	5.22	-43.91
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@@H+]1C1CC1	REAL250004619376	0	45	0.0	-64.86	346.78	4.93	-59.93
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@H+]1C1CC1	REAL250004619376	1	45	0.0	-65.70	339.86	4.59	-61.11
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@@H+]1C1CC1	REAL250004619376	1	45	0.0	-64.86	346.83	4.94	-59.92
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@H+]1C1CC1	REAL250004619376	1	45	0.0	-65.68	339.92	4.60	-61.08
O=C(CCCC1=N[N-]N=N1)N1CCC([N@@H+]2CCC(O)C2)C1	REAL250004619380	0	43	0.0	-72.66	337.83	1.84	-70.82
O=C(CCCC1=N[N-]N=N1)N1CCC([N@H+]2CCC(O)C2)C1	REAL250004619380	1	43	0.0	-72.41	337.88	1.85	-70.56
O=C(CCCC1=NN=N[N-]1)N1CCC([N@@H+]2CCC(O)C2)C1	REAL250004619380	1	43	0.0	-72.68	337.89	1.86	-70.82
O=C(CCCC1=NN=N[N-]1)N1CCC([N@H+]2CCC(O)C2)C1	REAL250004619380	1	43	0.0	-72.39	337.94	1.86	-70.53
C[NH+](C)CC(CO)NC(=O)CCCC1=N[N-]N=N1	REAL250004619382	0	38	0.0	-67.85	305.70	-0.27	-68.12
C[NH+](C)CC(CO)NC(=O)CCCC1=NN=N[N-]1	REAL250004619382	1	38	0.0	-67.84	305.75	-0.26	-68.10
C[NH+](C)CC(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619383	0	38	0.0	-56.50	316.29	-0.48	-56.98
C[NH+](C)CC(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619383	1	38	0.0	-56.42	316.36	-0.46	-56.88
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004619390	0	43	0.0	-67.48	330.26	4.15	-63.33
CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004619390	1	43	0.0	-67.60	326.42	4.68	-62.92
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004619390	1	43	0.0	-67.50	330.32	4.16	-63.34
CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004619390	1	43	0.0	-67.61	326.48	4.70	-62.91
CO[C@H]1C[C@@H](CN(C)C(=O)CCCC2=N[N-]N=N2)[N@H+](C)C1	REAL250004619393	0	45	0.0	-65.88	349.39	4.05	-61.83
CO[C@H]1C[C@@H](CN(C)C(=O)CCCC2=N[N-]N=N2)[N@@H+](C)C1	REAL250004619393	1	45	0.0	-72.70	342.65	3.52	-69.18
CO[C@H]1C[C@@H](CN(C)C(=O)CCCC2=NN=N[N-]2)[N@H+](C)C1	REAL250004619393	1	45	0.0	-65.91	349.45	4.06	-61.85
CO[C@H]1C[C@@H](CN(C)C(=O)CCCC2=NN=N[N-]2)[N@@H+](C)C1	REAL250004619393	1	45	0.0	-72.71	342.70	3.53	-69.18
CC1C([NH+]2CCCC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619398	0	45	0.0	-70.74	340.63	5.70	-65.04
CC1C([NH+]2CCCC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619398	1	45	0.0	-70.73	340.69	5.71	-65.02
C[C@@H](C[NH+](C)C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004619400	0	40	0.0	-75.43	320.16	5.89	-69.54
C[C@@H](C[NH+](C)C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004619400	1	40	0.0	-76.78	320.66	5.87	-70.91
C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619401	0	37	0.0	-57.32	306.54	2.79	-54.53
C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619401	1	37	0.0	-57.31	306.60	2.79	-54.52
CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004619411	0	44	0.0	-67.03	337.50	4.45	-62.58
CCC[N@H+]1CCC[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004619411	1	44	0.0	-67.43	336.80	3.91	-63.52
CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004619411	1	44	0.0	-66.99	337.56	4.46	-62.53
CCC[N@H+]1CCC[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004619411	1	44	0.0	-67.43	336.85	3.93	-63.50
CCCN(CC[NH+]1CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004619488	0	47	0.0	-62.69	358.62	6.60	-56.09
CCCN(CC[NH+]1CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004619488	1	47	0.0	-62.70	358.67	6.61	-56.09
CC1CC([NH+]2CCCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004619507	0	45	0.0	-75.07	342.72	5.85	-69.22
CC1CC([NH+]2CCCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004619507	1	45	0.0	-75.10	342.78	5.87	-69.23
CC[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004619537	0	41	0.0	-71.90	309.89	4.88	-67.02
CC[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004619537	1	41	0.0	-71.64	307.89	4.70	-66.94
CC[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004619537	1	41	0.0	-71.93	309.94	4.90	-67.03
CC[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004619537	1	41	0.0	-71.64	307.95	4.72	-66.92
O=C(CCCC1=N[N-]N=N1)NC(CO)C[NH+]1CCCCC1	REAL250004619539	0	45	0.0	-66.75	346.68	1.57	-65.18
O=C(CCCC1=NN=N[N-]1)NC(CO)C[NH+]1CCCCC1	REAL250004619539	1	45	0.0	-66.76	346.74	1.58	-65.18
CN(C(=O)CCCC1=N[N-]N=N1)C1CC2CCC(C1)[NH+]2C	REAL250004619540	0	45	0.0	-62.07	305.96	4.70	-57.37
CN(C(=O)CCCC1=NN=N[N-]1)C1CC2CCC(C1)[NH+]2C	REAL250004619540	1	45	0.0	-62.14	306.02	4.72	-57.42
C[NH+](C)C1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004619562	0	38	0.0	-71.89	305.04	3.09	-68.80
C[NH+](C)C1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004619562	1	38	0.0	-71.91	305.10	3.10	-68.81
C[NH+](C)C1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004619563	0	38	0.0	-60.04	315.49	2.94	-57.10
C[NH+](C)C1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004619563	1	38	0.0	-60.06	315.56	2.95	-57.11
C[NH+]1CCC(ONC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004619571	0	39	0.0	-76.00	313.95	4.07	-71.93
C[NH+]1CCC(ONC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004619571	1	39	0.0	-76.05	314.01	4.08	-71.97
CCC1C[N@H+](CC)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619591	0	44	0.0	-73.19	329.82	5.90	-67.29
CCC1C[N@@H+](CC)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619591	1	44	0.0	-73.13	329.97	5.86	-67.27
CCC1C[N@H+](CC)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619591	1	44	0.0	-73.22	329.87	5.91	-67.31
CCC1C[N@@H+](CC)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619591	1	44	0.0	-73.14	330.02	5.87	-67.27
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]21	REAL250004619604	0	39	0.0	-75.12	311.90	4.75	-70.37
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]21	REAL250004619604	1	39	0.0	-75.14	311.95	4.76	-70.38
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]21	REAL250004619605	0	39	0.0	-61.54	318.72	5.00	-56.54
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]21	REAL250004619605	1	39	0.0	-61.55	318.79	5.01	-56.54
CCC(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004619637	0	44	0.0	-70.25	328.33	5.27	-64.98
CCC(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004619637	1	44	0.0	-70.28	328.38	5.28	-65.00
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)[N@H+]1CCO	REAL250004619661	0	45	0.0	-68.86	329.34	1.90	-66.96
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)[N@@H+]1CCO	REAL250004619661	1	45	0.0	-69.18	330.69	1.42	-67.76
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)[N@H+]1CCO	REAL250004619661	1	45	0.0	-68.87	329.40	1.92	-66.95
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)[N@@H+]1CCO	REAL250004619661	1	45	0.0	-69.18	330.74	1.43	-67.75
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CCC(O)CC1	REAL250004619664	0	42	0.0	-73.63	329.85	0.28	-73.35
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CCC(O)CC1	REAL250004619664	1	42	0.0	-73.64	329.90	0.29	-73.35
C[NH+]1C2CCC1CC(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004619675	0	42	0.0	-72.35	306.14	5.00	-67.35
C[NH+]1C2CCC1CC(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004619675	1	42	0.0	-72.43	306.20	5.02	-67.41
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@@H+](CCCO)C1	REAL250004619705	0	45	0.0	-75.62	346.78	1.58	-74.04
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@H+](CCCO)C1	REAL250004619705	1	45	0.0	-73.99	350.82	1.04	-72.95
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@@H+](CCCO)C1	REAL250004619705	1	45	0.0	-75.66	346.84	1.60	-74.06
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@H+](CCCO)C1	REAL250004619705	1	45	0.0	-74.01	350.87	1.05	-72.96
C[NH+](C)CC1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004619709	0	38	0.0	-78.77	305.46	3.98	-74.79
C[NH+](C)CC1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004619709	1	38	0.0	-78.79	305.51	3.99	-74.80
C[NH+](C)CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004619710	0	38	0.0	-64.14	313.43	3.92	-60.22
C[NH+](C)CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004619710	1	38	0.0	-64.11	313.50	3.93	-60.18
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+]2CCC1C2	REAL250004619712	0	36	0.0	-73.88	274.88	3.48	-70.40
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+]2CCC1C2	REAL250004619712	1	36	0.0	-73.83	274.81	3.49	-70.34
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+]2CCC1C2	REAL250004619712	1	36	0.0	-73.90	274.93	3.50	-70.40
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+]2CCC1C2	REAL250004619712	1	36	0.0	-73.85	274.86	3.50	-70.35
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[N@@H+]2CCC1C2	REAL250004619713	1	39	0.0	-76.83	298.60	6.02	-70.81
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[N@H+]2CCC1C2	REAL250004619713	1	39	0.0	-74.35	297.38	6.09	-68.26
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@@H+]2CCC1C2	REAL250004619714	1	36	0.0	-58.87	281.71	3.74	-55.13
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@H+]2CCC1C2	REAL250004619714	1	36	0.0	-58.86	281.72	3.72	-55.14
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@@H+]2CCC1C2	REAL250004619714	1	36	0.0	-58.82	281.78	3.74	-55.08
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@H+]2CCC1C2	REAL250004619714	1	36	0.0	-58.78	281.78	3.73	-55.05
C[N@@H+]1CCC2(C1)CCCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004619716	0	45	0.0	-67.39	334.87	5.55	-61.84
C[N@H+]1CCC2(C1)CCCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004619716	1	45	0.0	-67.27	336.22	5.81	-61.46
C[N@@H+]1CCC2(C1)CCCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004619716	1	45	0.0	-67.38	334.92	5.57	-61.81
C[N@H+]1CCC2(C1)CCCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004619716	1	45	0.0	-67.25	336.28	5.82	-61.43
C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004619767	0	39	0.0	-70.99	297.61	3.96	-67.03
C[N@H+]1CC[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004619767	1	39	0.0	-70.97	302.24	4.30	-66.67
C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004619767	1	39	0.0	-71.00	297.66	3.97	-67.03
C[N@H+]1CC[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004619767	1	39	0.0	-70.98	302.30	4.31	-66.67
C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL250004619768	0	39	0.0	-62.34	305.28	4.10	-58.24
C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL250004619768	1	39	0.0	-61.04	310.33	4.53	-56.51
C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL250004619768	1	39	0.0	-62.32	305.21	4.09	-58.23
C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL250004619768	1	39	0.0	-61.08	310.26	4.51	-56.57
C[NH+](C)CCCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004619769	0	46	0.0	-73.69	346.67	4.36	-69.33
C[NH+](C)CCCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004619769	1	46	0.0	-73.74	346.73	4.37	-69.37
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](C)CC1	REAL250004619790	0	44	0.0	-61.42	331.28	5.76	-55.66
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](C)CC1	REAL250004619790	1	44	0.0	-61.39	331.33	5.78	-55.61
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+]1CCCO	REAL250004619851	0	45	0.0	-69.14	348.22	0.58	-68.56
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@@H+]1CCCO	REAL250004619851	1	45	0.0	-69.17	348.23	0.56	-68.61
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+]1CCCO	REAL250004619851	1	45	0.0	-69.15	348.28	0.60	-68.55
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@@H+]1CCCO	REAL250004619851	1	45	0.0	-69.20	348.29	0.58	-68.62
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1	REAL250004619852	1	39	0.0	-72.46	305.30	4.54	-67.92
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1	REAL250004619852	1	39	0.0	-78.49	303.56	4.21	-74.28
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1	REAL250004619852	1	39	0.0	-72.48	305.36	4.56	-67.92
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1	REAL250004619852	1	39	0.0	-78.52	303.61	4.23	-74.29
C[N@@H+]1CCC2CN(C(=O)CCCC3=N[N-]N=N3)CC2C1	REAL250004619868	0	42	0.0	-76.36	315.68	4.57	-71.79
C[N@H+]1CCC2CN(C(=O)CCCC3=N[N-]N=N3)CC2C1	REAL250004619868	1	42	0.0	-75.85	323.11	4.99	-70.86
C[N@@H+]1CCC2CN(C(=O)CCCC3=NN=N[N-]3)CC2C1	REAL250004619868	1	42	0.0	-76.38	315.74	4.58	-71.80
C[N@H+]1CCC2CN(C(=O)CCCC3=NN=N[N-]3)CC2C1	REAL250004619868	1	42	0.0	-75.89	323.17	5.00	-70.89
CCC1C[N@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619895	0	41	0.0	-74.72	301.59	4.14	-70.58
CCC1C[N@@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004619895	1	41	0.0	-74.42	308.32	4.60	-69.82
CCC1C[N@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619895	1	41	0.0	-74.73	301.65	4.16	-70.57
CCC1C[N@@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004619895	1	41	0.0	-74.44	308.38	4.62	-69.82
O=C(CCCC1=N[N-]N=N1)NCCCCC[NH+]1CCCC1	REAL250004619916	0	47	0.0	-70.76	367.58	5.27	-65.49
O=C(CCCC1=NN=N[N-]1)NCCCCC[NH+]1CCCC1	REAL250004619916	1	47	0.0	-70.81	367.64	5.29	-65.52
C[NH+](C)CC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004619983	0	41	0.0	-74.29	321.53	6.00	-68.29
C[NH+](C)CC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004619983	1	41	0.0	-74.35	321.59	6.02	-68.33
C[N@@H+]1CCCC2(CCN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004619995	0	45	0.0	-64.04	337.84	5.62	-58.42
C[N@H+]1CCCC2(CCN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004619995	1	45	0.0	-70.50	337.57	5.55	-64.95
C[N@@H+]1CCCC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004619995	1	45	0.0	-64.05	337.90	5.63	-58.42
C[N@H+]1CCCC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004619995	1	45	0.0	-70.52	337.63	5.56	-64.96
CC1C([NH+](C)C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004620025	0	41	0.0	-72.96	313.42	4.52	-68.44
CC1C([NH+](C)C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004620025	1	41	0.0	-72.97	313.47	4.53	-68.44
C[N@@H+]1CCC2(CCN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004620062	0	42	0.0	-72.97	323.27	4.81	-68.16
C[N@H+]1CCC2(CCN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004620062	1	42	0.0	-75.04	325.14	4.83	-70.21
C[N@@H+]1CCC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004620062	1	42	0.0	-72.96	323.33	4.82	-68.14
C[N@H+]1CCC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004620062	1	42	0.0	-74.99	325.20	4.84	-70.15
CC(CNC(=O)CCCC1=N[N-]N=N1)C[NH+](C)C	REAL250004620077	0	40	0.0	-67.79	314.09	3.28	-64.51
CC(CNC(=O)CCCC1=NN=N[N-]1)C[NH+](C)C	REAL250004620077	1	40	0.0	-67.84	314.15	3.30	-64.54
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C[NH+](C)C	REAL250004620078	0	40	0.0	-59.49	324.67	3.08	-56.41
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C[NH+](C)C	REAL250004620078	1	40	0.0	-59.48	324.74	3.09	-56.39
C[NH+](C)CCN1N=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004620091	0	41	0.0	-78.52	333.18	4.20	-74.32
C[NH+](C)CCN1N=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004620091	1	41	0.0	-78.46	333.12	4.19	-74.27
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+](C2CC2)C1	REAL250004620099	0	45	0.0	-70.45	337.63	6.21	-64.24
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+](C2CC2)C1	REAL250004620099	1	45	0.0	-70.92	336.91	6.38	-64.54
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+](C2CC2)C1	REAL250004620099	1	45	0.0	-70.48	337.69	6.23	-64.25
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+](C2CC2)C1	REAL250004620099	1	45	0.0	-70.92	336.96	6.40	-64.52
C#CC[N@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004620132	0	39	0.0	-72.87	323.89	3.77	-69.10
C#CC[N@@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004620132	1	39	0.0	-72.83	323.89	3.78	-69.05
C#CC[N@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620133	0	39	0.0	-62.28	334.50	3.57	-58.71
C#CC[N@@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620133	1	39	0.0	-62.26	334.49	3.57	-58.69
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)[N@H+]1C	REAL250004620134	0	41	0.0	-68.83	309.24	4.41	-64.42
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)[N@@H+]1C	REAL250004620134	1	41	0.0	-69.12	302.87	4.00	-65.12
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)[N@H+]1C	REAL250004620134	1	41	0.0	-68.81	309.29	4.42	-64.39
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)[N@@H+]1C	REAL250004620134	1	41	0.0	-69.18	302.93	4.02	-65.16
CCC[N@H+](CC)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620164	0	46	0.0	-67.64	342.84	5.40	-62.24
CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620164	1	46	0.0	-68.82	348.39	4.77	-64.05
CCC[N@H+](CC)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620164	1	46	0.0	-67.65	342.90	5.42	-62.23
CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620164	1	46	0.0	-68.88	348.45	4.79	-64.09
CCCC[N@H+](C)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620189	0	46	0.0	-71.47	356.66	5.16	-66.31
CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620189	1	46	0.0	-70.86	356.56	5.15	-65.71
CCCC[N@H+](C)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620189	1	46	0.0	-71.50	356.72	5.18	-66.32
CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620189	1	46	0.0	-70.85	356.62	5.16	-65.69
O=C(CCCC1=N[N-]N=N1)NC(CO)C[NH+]1CCCC1	REAL250004620193	0	42	0.0	-66.74	329.06	0.41	-66.33
O=C(CCCC1=NN=N[N-]1)NC(CO)C[NH+]1CCCC1	REAL250004620193	1	42	0.0	-66.76	329.12	0.43	-66.33
CCCC[N@H+](C)C[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620228	0	46	0.0	-70.85	356.57	5.14	-65.71
CCCC[N@@H+](C)C[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620228	1	46	0.0	-71.61	356.56	5.16	-66.45
CCCC[N@H+](C)C[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620228	1	46	0.0	-70.89	356.62	5.15	-65.74
CCCC[N@@H+](C)C[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620228	1	46	0.0	-71.65	356.62	5.18	-66.47
CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620245	0	43	0.0	-68.04	326.38	4.69	-63.35
CC(C)[N@H+](C)C[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620245	1	43	0.0	-67.49	330.26	4.15	-63.34
CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620245	1	43	0.0	-68.09	326.44	4.71	-63.38
CC(C)[N@H+](C)C[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620245	1	43	0.0	-67.53	330.32	4.16	-63.37
CCC[N@H+](CC)C[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620294	0	46	0.0	-68.79	348.65	4.79	-64.00
CCC[N@@H+](CC)C[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620294	1	46	0.0	-68.79	352.72	5.05	-63.74
CCC[N@H+](CC)C[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620294	1	46	0.0	-68.84	348.71	4.80	-64.04
CCC[N@@H+](CC)C[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620294	1	46	0.0	-68.83	352.78	5.07	-63.76
CN(C)CC[N@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004620299	0	48	0.0	-72.98	371.80	1.98	-71.00
CN(C)CC[N@@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004620299	1	48	0.0	-73.00	371.80	1.98	-71.02
CN(C)CC[N@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004620299	1	48	0.0	-73.03	371.86	2.00	-71.03
CN(C)CC[N@@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004620299	1	48	0.0	-73.07	371.86	2.00	-71.07
CN(CCCNC(=O)CCCC1=N[N-]N=N1)CC[NH+](C)C	REAL250004620299	1	48	0.0	-71.34	372.04	2.14	-69.20
CN(CCCNC(=O)CCCC1=NN=N[N-]1)CC[NH+](C)C	REAL250004620299	1	48	0.0	-71.36	372.10	2.16	-69.20
CCCC[N@H+](C)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620308	0	46	0.0	-71.45	356.66	5.16	-66.29
CCCC[N@@H+](C)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620308	1	46	0.0	-71.62	356.57	5.16	-66.46
CCCC[N@H+](C)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620308	1	46	0.0	-71.52	356.72	5.18	-66.34
CCCC[N@@H+](C)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620308	1	46	0.0	-71.62	356.62	5.18	-66.44
C[NH+](C)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004620319	0	40	0.0	-72.63	301.45	4.01	-68.62
C[NH+](C)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004620319	1	40	0.0	-72.63	301.51	4.03	-68.60
C[NH+](C)CC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620320	0	40	0.0	-59.10	312.03	3.80	-55.30
C[NH+](C)CC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620320	1	40	0.0	-59.07	312.10	3.81	-55.26
CC[N@@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004620339	0	44	0.0	-67.42	326.48	6.00	-61.42
CC[N@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004620339	1	44	0.0	-66.19	321.05	5.40	-60.79
CC[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004620339	1	44	0.0	-67.38	326.54	6.02	-61.36
CC[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004620339	1	44	0.0	-66.24	321.11	5.42	-60.82
C[N@H+](CCCCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004620363	0	44	0.0	-69.46	349.39	4.72	-64.74
C[N@@H+](CCCCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004620363	1	44	0.0	-69.44	349.39	4.71	-64.73
C[N@H+](CCCCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004620363	1	44	0.0	-69.45	349.44	4.74	-64.71
C[N@@H+](CCCCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004620363	1	44	0.0	-69.47	349.44	4.73	-64.74
C[N@@H+]1CCCC(CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004620404	0	44	0.0	-73.21	332.73	3.80	-69.41
C[N@H+]1CCCC(CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004620404	1	44	0.0	-73.24	332.72	3.79	-69.45
C[N@@H+]1CCCC(CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004620404	1	44	0.0	-73.25	332.79	3.82	-69.43
C[N@H+]1CCCC(CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004620404	1	44	0.0	-73.27	332.78	3.81	-69.46
CC[NH+](CC)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620558	1	38	0.0	-59.23	303.46	4.47	-54.76
CC(C)[N@H+](C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620560	1	38	0.0	-59.09	306.84	4.63	-54.46
CC(C)[N@@H+](C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620560	1	38	0.0	-59.09	306.83	4.63	-54.46
CC(C)(C)[NH2+]CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620566	0	38	0.0	-59.82	311.37	3.14	-56.68
C[NH+](C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620581	1	32	0.0	-62.30	272.42	3.42	-58.88
CCC[N@H+](C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620589	1	38	0.0	-61.77	311.65	4.84	-56.93
CCC[N@@H+](C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620589	1	38	0.0	-61.77	311.64	4.83	-56.94
CCC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[NH+](C)C	REAL250004620674	1	38	0.0	-57.25	300.58	4.46	-52.79
C=C(C[NH+](C)C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620709	0	36	0.0	-70.22	304.54	4.48	-65.74
C=C(C[NH+](C)C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620709	1	36	0.0	-70.19	304.60	4.47	-65.72
C[NH+](C)C1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL250004620773	1	36	0.0	-67.26	295.39	4.55	-62.71
C[C@H](C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[NH+](C)C	REAL250004620860	1	35	0.0	-59.64	289.62	3.89	-55.75
C[C@@H](C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[NH+](C)C	REAL250004620871	1	35	0.0	-60.46	289.79	3.83	-56.63
CC[C@@H](C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[NH+](C)C	REAL250004620880	1	38	0.0	-57.85	301.82	4.46	-53.39
CC[C@H](C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[NH+](C)C	REAL250004620881	1	38	0.0	-57.07	299.52	4.57	-52.50
CC(C[NH+](C)C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620923	0	38	0.0	-53.66	309.34	4.79	-48.87
CC(C[NH+](C)C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620923	1	38	0.0	-53.64	309.40	4.79	-48.85
C[NH+](C)CC=CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL250004620924	0	36	0.0	-68.12	308.73	4.68	-63.44
C[NH+](C)CC=CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL250004620924	1	36	0.0	-68.05	308.80	4.67	-63.38
C[N@@H+]1CC2CCC1C(CNC(=O)CCCC1=N[N-]N=N1)C2	REAL250004621034	0	45	0.0	-72.42	334.19	4.18	-68.24
C[N@H+]1CC2CCC1C(CNC(=O)CCCC1=N[N-]N=N1)C2	REAL250004621034	1	45	0.0	-72.33	334.39	4.19	-68.14
C[N@@H+]1CC2CCC1C(CNC(=O)CCCC1=NN=N[N-]1)C2	REAL250004621034	1	45	0.0	-72.45	334.25	4.19	-68.26
C[N@H+]1CC2CCC1C(CNC(=O)CCCC1=NN=N[N-]1)C2	REAL250004621034	1	45	0.0	-72.35	334.44	4.20	-68.15
CC1(C)CCC[N@@H+]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004621058	0	44	0.0	-65.51	335.82	3.71	-61.80
CC1(C)CCC[N@H+]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004621058	1	44	0.0	-65.51	335.85	3.72	-61.79
CC1(C)CCC[N@@H+]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004621058	1	44	0.0	-65.53	335.88	3.72	-61.81
CC1(C)CCC[N@H+]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004621058	1	44	0.0	-65.50	335.91	3.73	-61.77
CC(C)[N@@H+]1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621070	0	44	0.0	-68.03	333.30	5.25	-62.78
CC(C)[N@H+]1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004621070	1	44	0.0	-68.00	332.97	5.26	-62.74
CC(C)[N@@H+]1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621070	1	44	0.0	-68.01	333.36	5.26	-62.75
CC(C)[N@H+]1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004621070	1	44	0.0	-68.05	333.03	5.28	-62.77
C[NH+](C)CCONC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621095	0	35	0.0	-57.76	300.02	2.75	-55.01
C[NH+](C)CCONC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621095	1	35	0.0	-57.72	300.09	2.76	-54.96
CC(C)(C[NH+]1CCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004621168	0	44	0.0	-70.55	326.48	4.96	-65.59
CC(C)(C[NH+]1CCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004621168	1	44	0.0	-70.60	326.53	4.97	-65.63
C[NH+](C)C1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621197	0	44	0.0	-74.19	330.23	4.56	-69.63
C[NH+](C)C1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621197	1	44	0.0	-74.19	330.29	4.58	-69.61
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621217	0	38	0.0	-68.86	303.37	3.27	-65.59
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621217	1	38	0.0	-68.86	303.43	3.28	-65.58
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004621218	0	38	0.0	-56.18	314.19	3.12	-53.06
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004621218	1	38	0.0	-56.19	314.25	3.12	-53.07
CN(CC1CCC[N@@H+]1C)C(=O)CCCC1=N[N-]N=N1	REAL250004621246	0	41	0.0	-54.59	309.35	5.70	-48.89
CN(CC1CCC[N@H+]1C)C(=O)CCCC1=N[N-]N=N1	REAL250004621246	1	41	0.0	-64.86	315.65	5.18	-59.68
CN(CC1CCC[N@@H+]1C)C(=O)CCCC1=NN=N[N-]1	REAL250004621246	1	41	0.0	-54.60	309.40	5.72	-48.88
CN(CC1CCC[N@H+]1C)C(=O)CCCC1=NN=N[N-]1	REAL250004621246	1	41	0.0	-64.94	315.71	5.19	-59.75
CN(C(=O)CCCC1=N[N-]N=N1)C(C)(C)C[NH+]1CCCC1	REAL250004621250	0	47	0.0	-71.22	335.69	5.87	-65.35
CN(C(=O)CCCC1=NN=N[N-]1)C(C)(C)C[NH+]1CCCC1	REAL250004621250	1	47	0.0	-71.21	335.75	5.88	-65.33
C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC3=N[N-]N=N3)[C@@H]2C1	REAL250004621271	0	42	0.0	-68.01	313.71	4.90	-63.11
C[N@H+]1C[C@@H]2CCCN(C(=O)CCCC3=N[N-]N=N3)[C@@H]2C1	REAL250004621271	1	42	0.0	-64.20	310.53	4.67	-59.53
C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC3=NN=N[N-]3)[C@@H]2C1	REAL250004621271	1	42	0.0	-68.06	313.77	4.92	-63.14
C[N@H+]1C[C@@H]2CCCN(C(=O)CCCC3=NN=N[N-]3)[C@@H]2C1	REAL250004621271	1	42	0.0	-64.21	310.59	4.68	-59.53
COCC[N@@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621278	0	45	0.0	-71.40	346.47	3.35	-68.05
COCC[N@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621278	1	45	0.0	-71.65	346.48	3.33	-68.32
COCC[N@@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621278	1	45	0.0	-71.44	346.53	3.37	-68.07
COCC[N@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621278	1	45	0.0	-71.68	346.54	3.35	-68.33
O=C(CCCC1=N[N-]N=N1)NC[C@@H](O)C[NH+]1CCCCC1	REAL250004621281	0	45	0.0	-69.79	350.07	1.22	-68.57
O=C(CCCC1=NN=N[N-]1)NC[C@@H](O)C[NH+]1CCCCC1	REAL250004621281	1	45	0.0	-69.80	350.13	1.24	-68.56
O=C(CCCC1=NN=N[N-]1)NC1CC([NH+]2CCOCC2)C1	REAL250004621329	1	43	0.0	-72.56	337.94	2.60	-69.96
C[NH+](C)C1CC(NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004621335	0	44	0.0	-71.11	334.44	4.53	-66.58
C[NH+](C)C1CC(NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004621335	1	44	0.0	-71.13	334.51	4.55	-66.58
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL250004621337	0	42	0.0	-69.78	330.37	4.24	-65.54
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL250004621337	1	42	0.0	-69.78	330.43	4.26	-65.52
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CCCF)CC1	REAL250004621338	1	41	0.0	-77.76	321.00	4.96	-72.80
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CCCF)CC1	REAL250004621338	1	41	0.0	-77.77	321.06	4.97	-72.80
CCCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](C)C1	REAL250004621353	0	44	0.0	-70.86	327.60	5.63	-65.23
CCCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](C)C1	REAL250004621353	1	44	0.0	-59.32	333.63	5.67	-53.65
CCCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](C)C1	REAL250004621353	1	44	0.0	-70.84	327.66	5.64	-65.20
CCCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](C)C1	REAL250004621353	1	44	0.0	-59.34	333.67	5.69	-53.65
C[C@@H](CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[NH+](C)C	REAL250004621360	0	40	0.0	-76.16	311.77	5.32	-70.84
C[C@@H](CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[NH+](C)C	REAL250004621360	1	40	0.0	-75.89	311.86	5.33	-70.56
C[C@@H](CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+](C)C	REAL250004621361	0	37	0.0	-56.20	297.91	2.16	-54.04
C[C@@H](CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+](C)C	REAL250004621361	1	37	0.0	-56.18	297.98	2.16	-54.02
O=C(CCCC1=N[N-]N=N1)NC1C2CC3CC1C[NH+](C3)C2	REAL250004621421	0	43	0.0	-70.97	316.41	4.38	-66.59
O=C(CCCC1=NN=N[N-]1)NC1C2CC3CC1C[NH+](C3)C2	REAL250004621421	1	43	0.0	-70.93	316.47	4.40	-66.53
C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621472	0	41	0.0	-70.53	326.37	3.73	-66.80
C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621472	1	41	0.0	-70.54	326.42	3.74	-66.80
C[NH+]1CCC(N(CCO)C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621476	0	45	0.0	-60.37	340.88	2.51	-57.86
C[NH+]1CCC(N(CCO)C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621476	1	45	0.0	-60.42	340.94	2.52	-57.90
CC[N@H+]1[C@H](C)CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL250004621500	0	44	0.0	-67.97	323.39	4.76	-63.21
CC[N@@H+]1[C@H](C)CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL250004621500	1	44	0.0	-71.76	319.04	4.56	-67.20
CC[N@H+]1[C@H](C)CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C	REAL250004621500	1	44	0.0	-67.97	323.39	4.76	-63.21
CC[N@@H+]1[C@H](C)CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C	REAL250004621500	1	44	0.0	-71.76	319.04	4.56	-67.20
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C(C)(C)C	REAL250004621509	0	47	0.0	-72.24	329.68	5.02	-67.22
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C(C)(C)C	REAL250004621509	1	47	0.0	-72.24	329.61	5.04	-67.20
O=C(CCCC1=N[N-]N=N1)NCC12CC[N@H+](C1)CCC2	REAL250004621511	0	42	0.0	-71.01	316.65	3.41	-67.60
O=C(CCCC1=N[N-]N=N1)NCC12CC[N@@H+](C1)CCC2	REAL250004621511	1	42	0.0	-71.10	316.43	3.42	-67.68
O=C(CCCC1=NN=N[N-]1)NCC12CC[N@H+](C1)CCC2	REAL250004621511	1	42	0.0	-71.01	316.65	3.41	-67.60
O=C(CCCC1=NN=N[N-]1)NCC12CC[N@@H+](C1)CCC2	REAL250004621511	1	42	0.0	-71.10	316.43	3.42	-67.68
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@@H+]2CCCCC12	REAL250004621534	0	45	0.0	-68.77	340.03	4.97	-63.80
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@H+]2CCCCC12	REAL250004621534	1	45	0.0	-68.75	340.05	4.98	-63.77
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@@H+]2CCCCC12	REAL250004621534	1	45	0.0	-68.77	340.03	4.97	-63.80
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@H+]2CCCCC12	REAL250004621534	1	45	0.0	-68.75	340.05	4.98	-63.77
CCC(C)(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004621538	0	47	0.0	-68.97	336.92	5.29	-63.68
CCC(C)(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004621538	1	47	0.0	-68.95	336.98	5.30	-63.65
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL250004621545	0	40	0.0	-72.56	310.12	1.12	-71.44
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	REAL250004621545	1	40	0.0	-73.83	307.10	0.71	-73.12
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL250004621545	1	40	0.0	-72.56	310.12	1.12	-71.44
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	REAL250004621545	1	40	0.0	-73.83	307.10	0.71	-73.12
CN(CC[NH+]1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004621554	0	44	0.0	-63.63	336.13	5.70	-57.93
CN(CC[NH+]1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004621554	1	44	0.0	-63.66	336.19	5.72	-57.94
C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]2C1	REAL250004621575	0	42	0.0	-72.50	318.67	5.13	-67.37
C[N@H+]1CC[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]2C1	REAL250004621575	1	42	0.0	-71.05	317.41	5.32	-65.73
C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]2C1	REAL250004621575	1	42	0.0	-72.50	318.67	5.13	-67.37
C[N@H+]1CC[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]2C1	REAL250004621575	1	42	0.0	-71.05	317.41	5.32	-65.73
CC(C)C(C[NH+](C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004621579	0	43	0.0	-71.74	326.66	4.06	-67.68
CC(C)C(C[NH+](C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004621579	1	43	0.0	-71.76	326.72	4.08	-67.68
CC1C[N@H+](C)C(C)C(C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004621581	0	44	0.0	-71.63	315.28	5.35	-66.28
CC1C[N@@H+](C)C(C)C(C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004621581	1	44	0.0	-70.70	320.13	5.15	-65.55
CC1C[N@H+](C)C(C)C(C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004621581	1	44	0.0	-71.63	315.28	5.35	-66.28
CC1C[N@@H+](C)C(C)C(C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004621581	1	44	0.0	-70.70	320.13	5.15	-65.55
CC(C)C[N@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621641	0	46	0.0	-71.49	355.34	4.67	-66.82
CC(C)C[N@@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004621641	1	46	0.0	-71.49	355.34	4.68	-66.81
CC(C)C[N@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621641	1	46	0.0	-71.49	355.34	4.67	-66.82
CC(C)C[N@@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004621641	1	46	0.0	-71.49	355.34	4.68	-66.81
O=C(CCCC1=N[N-]N=N1)N1CC(N2CC[C@@H](O)C2)C1	REAL250004621665	0	40	0.0	-76.40	321.38	1.07	-75.33
O=C(CCCC1=NN=N[N-]1)N1CC(N2CC[C@@H](O)C2)C1	REAL250004621665	1	40	0.0	-75.47	322.37	1.19	-74.28
O=C(CCCC1=NN=N[N-]1)N1CC([N@@H+]2CC[C@@H](O)C2)C1	REAL250004621665	1	40	0.0	-76.40	321.38	1.07	-75.33
O=C(CCCC1=NN=N[N-]1)N1CC([N@H+]2CC[C@@H](O)C2)C1	REAL250004621665	1	40	0.0	-75.47	322.37	1.19	-74.28
CN(CC1C[NH+](C)C1)C(=O)CCCC1=N[N-]N=N1	REAL250004621731	0	38	0.0	-61.77	302.81	4.10	-57.67
CN(CC1C[NH+](C)C1)C(=O)CCCC1=NN=N[N-]1	REAL250004621731	1	38	0.0	-61.80	302.86	4.12	-57.68
O=C(CCCC1=N[N-]N=N1)N1CC([NH+]2CCCC2)C1	REAL250004621820	0	39	0.0	-73.61	311.44	4.42	-69.19
O=C(CCCC1=NN=N[N-]1)N1CC([NH+]2CCCC2)C1	REAL250004621820	1	39	0.0	-73.61	311.50	4.44	-69.17
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC([NH+]2CCCC2)C1	REAL250004621821	1	39	0.0	-60.03	319.49	4.36	-55.67
CC1(NC(=O)CCCC2=N[N-]N=N2)C[NH+]2CCC1CC2	REAL250004621827	0	42	0.0	-63.52	308.78	3.55	-59.97
CC1(NC(=O)CCCC2=NN=N[N-]2)C[NH+]2CCC1CC2	REAL250004621827	1	42	0.0	-63.54	308.83	3.56	-59.98
CC(CCNC(=O)CCCC1=N[N-]N=N1)[NH+](C)C	REAL250004621829	0	40	0.0	-71.45	312.24	2.92	-68.53
CC(CCNC(=O)CCCC1=NN=N[N-]1)[NH+](C)C	REAL250004621829	1	40	0.0	-71.45	312.30	2.93	-68.52
CC(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+](C)C	REAL250004621830	0	40	0.0	-59.77	322.83	2.72	-57.05
CC(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+](C)C	REAL250004621830	1	40	0.0	-59.71	322.90	2.72	-56.99
CN(CCC[NH+](C)C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004621831	0	48	0.0	-72.72	372.04	2.15	-70.57
CN(CCC[NH+](C)C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004621831	1	48	0.0	-72.72	372.10	2.16	-70.56
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](CC)C1	REAL250004621834	0	44	0.0	-59.97	331.48	5.62	-54.35
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](CC)C1	REAL250004621834	1	44	0.0	-55.04	331.60	5.85	-49.19
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](CC)C1	REAL250004621834	1	44	0.0	-59.97	331.48	5.62	-54.35
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](CC)C1	REAL250004621834	1	44	0.0	-55.04	331.60	5.85	-49.19
CC(C)(C)[N@@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621874	0	44	0.0	-67.23	331.44	3.77	-63.46
CC(C)(C)[N@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621874	1	44	0.0	-66.21	331.52	3.79	-62.42
CC(C)(C)[N@@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621874	1	44	0.0	-67.23	331.44	3.77	-63.46
CC(C)(C)[N@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621874	1	44	0.0	-66.21	331.52	3.79	-62.42
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](C)C1	REAL250004621876	0	41	0.0	-61.37	312.71	4.95	-56.42
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](C)C1	REAL250004621876	1	41	0.0	-60.95	312.84	4.95	-56.00
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](C)C1	REAL250004621876	1	41	0.0	-61.37	312.71	4.95	-56.42
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](C)C1	REAL250004621876	1	41	0.0	-60.95	312.84	4.95	-56.00
CC(C)(C)[N@@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621892	0	47	0.0	-68.19	352.91	4.32	-63.87
CC(C)(C)[N@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621892	1	47	0.0	-67.77	352.75	4.32	-63.45
CC(C)(C)[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621892	1	47	0.0	-68.19	352.91	4.32	-63.87
CC(C)(C)[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621892	1	47	0.0	-67.77	352.75	4.32	-63.45
CC(C)(C)[N@@H+]1CCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004621893	0	44	0.0	-66.45	324.60	3.05	-63.40
CC(C)(C)[N@H+]1CCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004621893	1	44	0.0	-65.72	329.57	4.47	-61.25
CC(C)(C)[N@@H+]1CCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004621893	1	44	0.0	-66.45	324.60	3.05	-63.40
CC(C)(C)[N@H+]1CCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004621893	1	44	0.0	-65.72	329.57	4.47	-61.25
CC(C[NH+]1CCC(C)CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004621911	0	47	0.0	-70.24	358.37	5.47	-64.77
CC(C[NH+]1CCC(C)CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004621911	1	47	0.0	-70.27	358.43	5.49	-64.78
C[N@@H+]1CCCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621952	0	44	0.0	-71.03	330.24	4.35	-66.68
C[N@H+]1CCCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004621952	1	44	0.0	-70.31	330.57	4.47	-65.84
C[N@@H+]1CCCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621952	1	44	0.0	-71.03	330.24	4.35	-66.68
C[N@H+]1CCCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004621952	1	44	0.0	-70.31	330.57	4.47	-65.84
C[N@@H+]1CCC[C@@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004622009	0	38	0.0	-67.78	295.88	2.48	-65.30
C[N@H+]1CCC[C@@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004622009	1	38	0.0	-68.72	297.68	3.04	-65.68
C[N@@H+]1CCC[C@@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004622009	1	38	0.0	-67.80	295.94	2.50	-65.30
C[N@H+]1CCC[C@@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004622009	1	38	0.0	-68.76	297.74	3.06	-65.70
C[N@@H+]1CCC[C@@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622010	0	38	0.0	-58.73	306.80	2.30	-56.43
C[N@H+]1CCC[C@@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622010	1	38	0.0	-55.01	308.34	2.84	-52.17
C[N@@H+]1CCC[C@@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622010	1	38	0.0	-58.73	306.73	2.29	-56.44
C[N@H+]1CCC[C@@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622010	1	38	0.0	-55.01	308.28	2.83	-52.18
C[N@@H+]1CCCC1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004622028	0	41	0.0	-65.43	322.15	3.68	-61.75
C[N@H+]1CCCC1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004622028	1	41	0.0	-71.67	316.82	3.19	-68.48
C[N@@H+]1CCCC1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004622028	1	41	0.0	-65.47	322.20	3.69	-61.78
C[N@H+]1CCCC1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004622028	1	41	0.0	-71.63	316.88	3.21	-68.42
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+]1C1CC1	REAL250004622067	0	39	0.0	-67.81	311.84	3.74	-64.07
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+]1C1CC1	REAL250004622067	1	39	0.0	-67.80	315.39	3.31	-64.49
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+]1C1CC1	REAL250004622067	1	39	0.0	-67.83	311.90	3.75	-64.08
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+]1C1CC1	REAL250004622067	1	39	0.0	-67.83	315.45	3.33	-64.50
O=C(NCC1CC[N@@H+]1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622068	1	39	0.0	-56.74	320.68	3.58	-53.16
O=C(NCC1CC[N@H+]1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622068	1	39	0.0	-56.55	317.95	2.78	-53.77
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CC[NH2+]1	REAL250004622082	0	41	0.0	-76.60	311.67	3.21	-73.39
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CC[NH2+]1	REAL250004622082	1	41	0.0	-76.65	311.73	3.22	-73.43
O=C(CCCC1=N[N-]N=N1)N1CCC([NH+]2CCC2)CC1	REAL250004622096	0	42	0.0	-72.70	322.14	5.14	-67.56
O=C(CCCC1=NN=N[N-]1)N1CCC([NH+]2CCC2)CC1	REAL250004622096	1	42	0.0	-72.71	322.20	5.16	-67.55
O=C(CCCC1=N[N-]N=N1)N1CCC([NH+]2CCC2)C1	REAL250004622099	0	39	0.0	-70.90	310.44	4.50	-66.40
O=C(CCCC1=NN=N[N-]1)N1CCC([NH+]2CCC2)C1	REAL250004622099	1	39	0.0	-70.92	310.50	4.51	-66.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH+]2CCC2)C1	REAL250004622100	0	39	0.0	-61.05	317.09	4.63	-56.42
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=CC=[NH+]1	REAL250004622120	0	34	0.0	-65.41	289.61	2.26	-63.15
CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=CC=[NH+]1	REAL250004622120	1	34	0.0	-65.43	289.67	2.27	-63.16
CC1=CC(NNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=[NH+]1	REAL250004622121	0	34	0.0	-52.71	300.20	2.05	-50.66
CC1=CC(NNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=[NH+]1	REAL250004622121	1	34	0.0	-52.73	300.27	2.05	-50.68
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](C)C1	REAL250004622167	0	38	0.0	-71.32	295.39	4.02	-67.30
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](C)C1	REAL250004622167	1	38	0.0	-71.12	295.54	4.03	-67.09
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](C)C1	REAL250004622167	1	38	0.0	-71.36	295.45	4.04	-67.32
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](C)C1	REAL250004622167	1	38	0.0	-71.16	295.60	4.04	-67.12
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@H+](C)C1	REAL250004622168	0	38	0.0	-60.58	303.28	4.47	-56.11
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@@H+](C)C1	REAL250004622168	1	38	0.0	-60.57	303.74	4.41	-56.16
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@H+](C)C1	REAL250004622168	1	38	0.0	-60.58	303.21	4.46	-56.12
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@@H+](C)C1	REAL250004622168	1	38	0.0	-60.57	303.67	4.40	-56.17
CCC[N@H+](C)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004622180	0	46	0.0	-72.23	340.54	5.34	-66.89
CCC[N@@H+](C)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004622180	1	46	0.0	-72.06	340.57	5.43	-66.63
CCC[N@H+](C)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004622180	1	46	0.0	-72.23	340.60	5.36	-66.87
CCC[N@@H+](C)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004622180	1	46	0.0	-72.07	340.62	5.45	-66.62
CCC[N@@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004622216	0	41	0.0	-69.91	323.70	3.78	-66.13
CCC[N@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004622216	1	41	0.0	-69.93	322.24	3.66	-66.27
CCC[N@@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004622216	1	41	0.0	-69.89	323.75	3.79	-66.10
CCC[N@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004622216	1	41	0.0	-69.91	322.29	3.67	-66.24
CC[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)[NH2+]1	REAL250004622248	0	41	0.0	-71.88	315.51	3.38	-68.50
CC[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)[NH2+]1	REAL250004622248	1	41	0.0	-71.89	315.56	3.40	-68.49
C[NH+](C)C1CC(NC(=O)CCCC2=N[N-]N=N2)C12CCC2	REAL250004622297	0	45	0.0	-71.51	342.19	4.88	-66.63
C[NH+](C)C1CC(NC(=O)CCCC2=NN=N[N-]2)C12CCC2	REAL250004622297	1	45	0.0	-71.55	342.25	4.89	-66.66
CN(CC[N@H+](C)CCO)C(=O)CCCC1=N[N-]N=N1	REAL250004622298	0	41	0.0	-66.14	323.03	1.31	-64.83
CN(CC[N@@H+](C)CCO)C(=O)CCCC1=N[N-]N=N1	REAL250004622298	1	41	0.0	-62.92	323.28	1.32	-61.60
CN(CC[N@H+](C)CCO)C(=O)CCCC1=NN=N[N-]1	REAL250004622298	1	41	0.0	-66.15	323.09	1.33	-64.82
CN(CC[N@@H+](C)CCO)C(=O)CCCC1=NN=N[N-]1	REAL250004622298	1	41	0.0	-62.92	323.34	1.33	-61.59
CN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623355	1	39	0.0	-59.17	306.53	8.20	-50.97
CN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623355	1	39	0.0	-54.04	301.69	7.81	-46.23
CN(C(=O)CCCC[NH+]1CCCC1)C1=N[N-]N=N1	REAL250004623378	0	38	0.0	-68.26	296.76	7.02	-61.24
CN(C(=O)CCCC[NH+]1CCCC1)C1=NN=N[N-]1	REAL250004623378	1	38	0.0	-68.34	296.63	7.05	-61.29
CN(C(=O)C[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623405	1	35	0.0	-63.12	281.96	7.28	-55.84
CN(C(=O)C[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004623405	1	35	0.0	-63.13	281.95	7.28	-55.85
CCC[N@@H+]1CCCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004623417	0	38	0.0	-58.38	277.25	6.37	-52.01
CCC[N@H+]1CCCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004623417	1	38	0.0	-54.64	284.21	6.62	-48.02
CC(C)C(C(=O)N(C)C1=NN=N[N-]1)[NH+]1CCCCC1	REAL250004623418	0	41	0.0	-57.21	290.68	7.26	-49.95
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004623495	0	38	0.0	-70.46	301.66	6.98	-63.48
CN(C(=O)C(C1=CC=CC=C1)[NH+](C)C)C1=NN=N[N-]1	REAL250004623512	1	35	0.0	-54.31	272.87	6.89	-47.42
CC(C(=O)N(C)C1=NN=N[N-]1)[NH+]1C(C)CCC1C	REAL250004623563	0	38	0.0	-53.55	275.06	6.01	-47.54
CC[NH+](CC)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623592	0	41	0.0	-54.59	299.75	7.69	-46.90
CCC[NH+](CCC)CCCC(=O)N(C)C1=N[N-]N=N1	REAL250004623610	0	43	0.0	-66.85	323.53	7.63	-59.22
CCC[NH+](CCC)CCCC(=O)N(C)C1=NN=N[N-]1	REAL250004623610	1	43	0.0	-66.97	323.39	7.66	-59.31
CC[N@H+](C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623611	1	38	0.0	-55.73	290.77	7.62	-48.11
CC[N@@H+](C)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004623611	1	38	0.0	-52.70	293.65	7.62	-45.08
CN(C(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=N[N-]N=N1	REAL250004623654	0	39	0.0	-67.00	310.83	5.08	-61.92
CN(C(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=NN=N[N-]1	REAL250004623654	1	39	0.0	-67.09	310.71	5.10	-61.99
CCCCCC[N@H+](C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004623659	0	40	0.0	-60.47	309.02	7.44	-53.03
CCCCCC[N@@H+](C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004623659	1	40	0.0	-60.47	309.03	7.45	-53.02
CN(C(=O)C(C1=CC=CC(Cl)=C1)[NH+](C)C)C1=NN=N[N-]1	REAL250004623669	1	35	0.0	-55.28	289.61	7.41	-47.87
CC(C(=O)N(C)C1=N[N-]N=N1)N1CC[NH+](C)CC1	REAL250004623685	1	37	0.0	-48.11	270.84	3.21	-44.90
CC(C(=O)N(C)C1=NN=N[N-]1)N1CC[NH+](C)CC1	REAL250004623685	1	37	0.0	-48.17	270.70	3.23	-44.94
CC(C(=O)N(C)C1=NN=N[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL250004623693	1	39	0.0	-57.78	301.69	8.02	-49.76
CC(C(=O)N(C)C1=NN=N[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL250004623693	1	39	0.0	-57.47	301.61	7.98	-49.49
CC(C(=O)N(C)C1=NN=N[N-]1)[NH+]1CCCCCC1	REAL250004623730	0	38	0.0	-53.99	271.16	6.04	-47.95
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)C1=NN=N[N-]1	REAL250004623746	1	36	0.0	-57.88	290.74	6.89	-50.99
CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=NN=N[N-]1	REAL250004623763	0	35	0.0	-74.43	291.06	5.93	-68.50
CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=N[N-]N=N1	REAL250004623763	1	35	0.0	-74.30	291.21	5.94	-68.36
CC(C(=O)N(C)C1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL250004623826	1	38	0.0	-59.38	298.16	7.65	-51.73
CC(C(=O)N(C)C1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL250004623826	1	38	0.0	-58.90	296.66	7.62	-51.28
CN(C(=O)C1=CC(C[NH+](C)C)=CC=C1)C1=NN=N[N-]1	REAL250004623864	0	35	0.0	-70.75	280.44	6.81	-63.94
CN(C(=O)C1=CC(C[NH+](C)C)=CC=C1)C1=N[N-]N=N1	REAL250004623864	1	35	0.0	-70.66	280.57	6.82	-63.84
CC[NH+]1CCN(CCC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004623865	0	40	0.0	-69.06	302.88	4.22	-64.84
CC[NH+]1CCN(CCC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004623865	1	40	0.0	-69.18	302.75	4.25	-64.93
CC[NH+](CC)CCSCC(=O)N(C)C1=N[N-]N=N1	REAL250004623880	0	38	0.0	-70.22	303.58	6.76	-63.46
CC[NH+](CC)CCSCC(=O)N(C)C1=NN=N[N-]1	REAL250004623880	1	38	0.0	-70.35	303.45	6.78	-63.57
CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C1=NN=N[N-]1	REAL250004623886	0	43	0.0	-65.69	302.04	5.58	-60.11
CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C1=N[N-]N=N1	REAL250004623886	1	43	0.0	-65.59	302.17	5.55	-60.04
CN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL250004623976	0	42	0.0	-64.48	309.61	7.55	-56.93
CN(C(=O)C1CC[N@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL250004623976	1	42	0.0	-64.27	307.60	7.48	-56.79
CN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL250004623976	1	42	0.0	-64.38	309.79	7.53	-56.85
CN(C(=O)C1CC[N@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL250004623976	1	42	0.0	-64.16	307.73	7.47	-56.69
CN(C(=O)C1=C(C[NH+](C)C)C=CS1)C1=NN=N[N-]1	REAL250004624078	1	32	0.0	-49.03	266.33	5.81	-43.22
CC(C[NH+]1CCOCC1)C(=O)N(C)C1=NN=N[N-]1	REAL250004624220	1	36	0.0	-64.98	271.63	4.20	-60.78
CN(C(=O)C[N@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL250004624242	1	33	0.0	-61.93	264.57	5.94	-55.99
CN(C(=O)C[N@@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL250004624242	1	33	0.0	-63.31	264.79	5.92	-57.39
CN(C(=O)C1CCC[N@@H+]1C1CCCC1)C1=NN=N[N-]1	REAL250004624274	0	39	0.0	-59.55	280.69	6.53	-53.02
CN(C(=O)C1CCC[N@H+]1C1CCCC1)C1=NN=N[N-]1	REAL250004624274	1	39	0.0	-60.33	279.63	6.86	-53.47
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL250004624351	1	30	0.0	-67.18	257.62	7.35	-59.83
CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1=N[N-]N=N1	REAL250004624498	0	41	0.0	-64.14	283.09	6.50	-57.64
CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1=NN=N[N-]1	REAL250004624498	1	41	0.0	-64.27	282.96	6.51	-57.76
CN(C(=O)CC[N@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL250004624504	0	41	0.0	-65.33	303.85	7.29	-58.04
CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL250004624504	1	41	0.0	-65.33	303.85	7.29	-58.04
CN(C(=O)CC[N@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL250004624504	1	41	0.0	-65.42	303.72	7.33	-58.09
CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL250004624504	1	41	0.0	-65.44	303.71	7.33	-58.11
CN(C(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=N[N-]N=N1	REAL250004624587	0	38	0.0	-70.38	295.02	7.70	-62.68
CN(C(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=NN=N[N-]1	REAL250004624587	1	38	0.0	-70.54	294.89	7.74	-62.80
CN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C1=NN=N[N-]1	REAL250004624595	0	42	0.0	-56.99	299.45	7.77	-49.22
CN(C(=O)C1CCCC[N@H+]1C1CCCC1)C1=NN=N[N-]1	REAL250004624595	1	42	0.0	-56.13	295.20	7.30	-48.83
CN(C(=O)CCCC[NH+]1CCOCC1)C1=NN=N[N-]1	REAL250004624646	1	39	0.0	-71.50	303.57	5.33	-66.17
CN(C(=O)C1CC[NH+](C2CC2)CC1)C1=NN=N[N-]1	REAL250004624780	0	36	0.0	-39.57	269.78	6.69	-32.88
CN(C(=O)C1CC[NH+](C2CC2)CC1)C1=N[N-]N=N1	REAL250004624780	1	36	0.0	-39.49	269.95	6.67	-32.82
CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=N[N-]N=N1	REAL250004624913	0	39	0.0	-77.32	306.28	7.99	-69.33
CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=NN=N[N-]1	REAL250004624913	1	39	0.0	-77.35	306.14	7.97	-69.38
CC(C)[N@@H+]1CCOC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004624915	1	36	0.0	-69.18	272.07	5.06	-64.12
CC(C)[N@H+]1CCOC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004624915	1	36	0.0	-58.13	265.12	4.88	-53.25
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL250004624926	0	41	0.0	-75.81	316.02	8.18	-67.63
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL250004624926	1	41	0.0	-75.92	315.87	8.17	-67.75
CN(C(=O)C1=CC=CC=C1C[NH+](C)C)C1=NN=N[N-]1	REAL250004624941	0	35	0.0	-49.50	279.59	6.93	-42.57
CN(C(=O)C1=CC=CC=C1C[NH+](C)C)C1=N[N-]N=N1	REAL250004624941	1	35	0.0	-49.43	279.73	6.91	-42.52
CC1=[NH+]C=C2CCC(C(=O)N(C)C3=NN=N[N-]3)CN21	REAL250004624989	1	34	0.0	-37.50	268.51	6.34	-31.16
CN(C(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL250004625019	1	34	0.0	-72.47	276.94	5.27	-67.20
CN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL250004625132	0	38	0.0	-79.93	302.93	7.65	-72.28
CN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL250004625132	1	38	0.0	-79.89	303.07	7.66	-72.23
CN(C(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=NN=N[N-]1	REAL250004625158	1	35	0.0	-72.00	285.86	6.12	-65.88
CN(C(=O)C1CC[NH+](C2CCSC2)CC1)C1=NN=N[N-]1	REAL250004625249	0	40	0.0	-75.42	304.13	7.34	-68.08
CN(C(=O)C1CC[NH+](C2CCSC2)CC1)C1=N[N-]N=N1	REAL250004625249	1	40	0.0	-75.37	304.27	7.30	-68.07
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004625253	0	39	0.0	-64.85	304.28	7.93	-56.92
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004625253	1	39	0.0	-64.26	307.25	8.07	-56.19
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004625253	1	39	0.0	-64.75	304.41	7.91	-56.84
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004625253	1	39	0.0	-64.14	307.39	8.05	-56.09
CC(C)[NH+]1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004625267	0	38	0.0	-38.77	279.25	6.67	-32.10
CC(C)[NH+]1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004625267	1	38	0.0	-38.78	279.42	6.66	-32.12
CN(C(=O)C1C[NH+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL250004625313	0	39	0.0	-64.75	296.78	6.97	-57.78
CN(C(=O)C1C[NH+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL250004625313	1	39	0.0	-64.68	296.92	6.95	-57.73
CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625316	0	39	0.0	-66.03	306.55	7.85	-58.18
CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625316	1	39	0.0	-74.44	306.81	7.84	-66.60
CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625316	1	39	0.0	-65.94	306.68	7.82	-58.12
CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625316	1	39	0.0	-74.30	306.96	7.83	-66.47
CC(C)[NH+]1CCN(CCC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004625317	0	43	0.0	-67.65	315.68	4.50	-63.15
CC(C)[NH+]1CCN(CCC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004625317	1	43	0.0	-67.73	315.54	4.53	-63.20
CC(C)[NH+]1CCN(CCCC(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004625319	0	46	0.0	-65.79	342.28	5.68	-60.11
CC(C)[NH+]1CCN(CCCC(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004625319	1	46	0.0	-65.85	342.15	5.72	-60.13
CN(C(=O)C1=CN(CC[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL250004625334	0	35	0.0	-74.75	283.90	4.86	-69.89
CN(C(=O)C1=CN(CC[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL250004625334	1	35	0.0	-74.66	284.04	4.84	-69.82
CN(C(=O)C1=NN(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL250004625412	0	35	0.0	-80.71	287.11	5.55	-75.16
CN(C(=O)C1=NN(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL250004625412	1	35	0.0	-80.64	287.25	5.54	-75.10
CN(C(=O)C1=CC=NN1CC[NH+](C)C)C1=NN=N[N-]1	REAL250004625413	0	35	0.0	-51.77	279.06	4.90	-46.87
CN(C(=O)C1=CC=NN1CC[NH+](C)C)C1=N[N-]N=N1	REAL250004625413	1	35	0.0	-51.69	279.16	4.87	-46.82
CN(C(=O)[C@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625459	0	39	0.0	-69.05	296.87	7.76	-61.29
CN(C(=O)[C@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625459	1	39	0.0	-72.99	282.31	7.02	-65.97
CN(C(=O)[C@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625459	1	39	0.0	-68.88	297.01	7.76	-61.12
CN(C(=O)[C@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004625459	1	39	0.0	-72.87	282.45	6.99	-65.88
CN(C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=NN=N[N-]1	REAL250004625460	0	35	0.0	-72.31	283.19	4.39	-67.92
CN(C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=N[N-]N=N1	REAL250004625460	1	35	0.0	-72.25	283.32	4.37	-67.88
CN(C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1)C1=NN=N[N-]1	REAL250004625500	1	36	0.0	-71.38	284.18	4.57	-66.81
CN(C(=O)C1=NNC(C2CCC[N@H+]2C)=C1)C1=NN=N[N-]1	REAL250004625500	1	36	0.0	-74.62	288.19	5.10	-69.52
CN(C(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C1=NN=N[N-]1	REAL250004625503	1	35	0.0	-57.01	289.61	7.41	-49.60
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)C1=NN=N[N-]1	REAL250004625547	1	36	0.0	-58.67	291.25	6.93	-51.74
CN(C(=O)C1CC[N@@H+]1C1CCCC1)C1=NN=N[N-]1	REAL250004625595	1	36	0.0	-59.21	269.96	6.17	-53.04
CN(C(=O)C1CC[N@H+]1C1CCCC1)C1=NN=N[N-]1	REAL250004625595	1	36	0.0	-61.79	275.46	6.44	-55.35
CN(C(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=NN=N[N-]1	REAL250004625637	0	36	0.0	-69.50	291.49	5.48	-64.02
CN(C(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=N[N-]N=N1	REAL250004625637	1	36	0.0	-69.43	291.64	5.48	-63.95
CN(C(=O)C1C[NH+](C2CCOC2)C1)C1=NN=N[N-]1	REAL250004625673	1	34	0.0	-66.38	271.29	4.05	-62.33
CN(C(=O)C12CCC[NH+](CCC1)C2)C1=NN=N[N-]1	REAL250004625676	0	36	0.0	-66.48	252.80	5.42	-61.06
CN(C(=O)C12CCC[NH+](CCC1)C2)C1=N[N-]N=N1	REAL250004625676	1	36	0.0	-66.36	252.94	5.40	-60.96
CN(C(=O)C1C[NH+](C2CCOCC2)C1)C1=NN=N[N-]1	REAL250004625681	0	37	0.0	-66.88	287.13	4.59	-62.29
CN(C(=O)C1C[NH+](C2CCOCC2)C1)C1=N[N-]N=N1	REAL250004625681	1	37	0.0	-66.77	287.26	4.56	-62.21
CN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625685	1	38	0.0	-62.13	304.44	8.13	-54.00
CN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004625685	1	38	0.0	-62.20	304.43	8.13	-54.07
COCCOCC[N@H+](C)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004625686	0	42	0.0	-64.93	333.57	4.35	-60.58
COCCOCC[N@@H+](C)CCC(=O)N(C)C1=N[N-]N=N1	REAL250004625686	1	42	0.0	-66.33	333.61	4.34	-61.99
COCCOCC[N@H+](C)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004625686	1	42	0.0	-65.07	333.43	4.37	-60.70
COCCOCC[N@@H+](C)CCC(=O)N(C)C1=NN=N[N-]1	REAL250004625686	1	42	0.0	-66.48	333.48	4.37	-62.11
CN(C(=O)C1CCC2CCCC[N@@H+]21)C1=NN=N[N-]1	REAL250004625699	0	36	0.0	-54.24	269.27	6.50	-47.74
CN(C(=O)C1CCC2CCCC[N@H+]21)C1=NN=N[N-]1	REAL250004625699	1	36	0.0	-56.38	265.17	6.14	-50.24
CN(C(=O)C1CCCC2CCC[N@@H+]21)C1=NN=N[N-]1	REAL250004625781	0	36	0.0	-58.05	257.99	5.84	-52.21
CN(C(=O)C1CCCC2CCC[N@H+]21)C1=NN=N[N-]1	REAL250004625781	1	36	0.0	-51.50	264.86	6.25	-45.25
CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1=NN=N[N-]1	REAL250004625837	0	38	0.0	-54.77	267.24	5.92	-48.85
CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C1=N[N-]N=N1	REAL250004625849	0	43	0.0	-46.15	311.65	5.89	-40.26
CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NN=N[N-]1	REAL250004625849	1	43	0.0	-46.16	311.52	5.90	-40.26
CN(C(=O)C(C)(C)C[NH+]1CCOCC1)C1=NN=N[N-]1	REAL250004625855	0	39	0.0	-37.63	272.84	3.99	-33.64
CN(C(=O)C1CN(C)CC[N@H+](C)C1)C1=NN=N[N-]1	REAL250004625856	0	37	0.0	-61.30	272.47	3.63	-57.67
CN(C(=O)C1CN(C)CC[N@@H+](C)C1)C1=NN=N[N-]1	REAL250004625856	1	37	0.0	-65.10	275.81	3.61	-61.49
CN(C(=O)C1CN(C)CC[N@H+](C)C1)C1=N[N-]N=N1	REAL250004625856	1	37	0.0	-61.22	272.60	3.61	-57.61
CN(C(=O)C1CN(C)CC[N@@H+](C)C1)C1=N[N-]N=N1	REAL250004625856	1	37	0.0	-65.00	275.94	3.57	-61.43
CN(C(=O)CC1(O)CCC[N@H+](C)C1)C1=NN=N[N-]1	REAL250004625918	0	36	0.0	-65.90	263.02	3.96	-61.94
CN(C(=O)CC1(O)CCC[N@@H+](C)C1)C1=NN=N[N-]1	REAL250004625918	1	36	0.0	-59.06	265.64	3.83	-55.23
CN(C(=O)CC1(O)CCC[N@H+](C)C1)C1=N[N-]N=N1	REAL250004625918	1	36	0.0	-65.75	263.15	3.93	-61.82
CN(C(=O)CC1(O)CCC[N@@H+](C)C1)C1=N[N-]N=N1	REAL250004625918	1	36	0.0	-58.99	265.78	3.82	-55.17
CN(C(=O)C1=CC(CC[NH+](C)C)=CC=C1)C1=NN=N[N-]1	REAL250004626165	0	38	0.0	-72.94	302.07	7.63	-65.31
CN(C(=O)C1=CC(CC[NH+](C)C)=CC=C1)C1=N[N-]N=N1	REAL250004626165	1	38	0.0	-72.90	302.21	7.63	-65.27
CN(C(=O)C1=CC=C(C[NH+](C)C)O1)C1=NN=N[N-]1	REAL250004626174	1	32	0.0	-74.04	267.00	5.64	-68.40
CC(C)[N@@H+]1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004626175	0	38	0.0	-37.91	278.53	6.47	-31.44
CC(C)[N@H+]1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004626175	1	38	0.0	-61.81	279.24	6.24	-55.57
CC(C)[N@@H+]1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004626175	1	38	0.0	-37.79	278.58	6.44	-31.35
CC(C)[N@H+]1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004626175	1	38	0.0	-61.71	279.37	6.21	-55.50
CN(C(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1=NN=N[N-]1	REAL250004626176	1	36	0.0	-72.38	292.37	6.75	-65.63
CCC[N@@H+]1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004626178	0	38	0.0	-39.23	283.17	6.73	-32.50
CCC[N@H+]1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004626178	1	38	0.0	-36.98	276.99	6.83	-30.15
CCC[N@@H+]1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004626178	1	38	0.0	-39.20	283.31	6.70	-32.50
CCC[N@H+]1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004626178	1	38	0.0	-36.92	277.13	6.81	-30.11
CN(C(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL250004626179	0	32	0.0	-77.22	256.65	5.71	-71.51
CN(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL250004626179	1	32	0.0	-71.83	254.51	5.01	-66.82
CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL250004626243	0	36	0.0	-55.58	275.94	3.07	-52.51
CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL250004626243	1	36	0.0	-53.29	275.40	2.96	-50.33
CC(C)C[N@@H+]1CCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004626265	0	38	0.0	-56.44	286.39	6.70	-49.74
CC(C)C[N@H+]1CCCC1C(=O)N(C)C1=NN=N[N-]1	REAL250004626265	1	38	0.0	-56.69	288.86	6.66	-50.03
CN(C(=O)C[NH+]1CCC(CO)CC1)C1=NN=N[N-]1	REAL250004626266	1	36	0.0	-59.89	279.19	2.86	-57.03
CC1CN2CC[N@@H+]1CC2C(=O)N(C)C1=NN=N[N-]1	REAL250004626269	0	35	0.0	-69.76	253.07	2.22	-67.54
CC1CN2CC[N@H+]1CC2C(=O)N(C)C1=NN=N[N-]1	REAL250004626269	1	35	0.0	-68.66	253.17	2.20	-66.46
CC1CN2CC[N@@H+]1CC2C(=O)N(C)C1=N[N-]N=N1	REAL250004626269	1	35	0.0	-69.69	253.21	2.22	-67.47
CC1CN2CC[N@H+]1CC2C(=O)N(C)C1=N[N-]N=N1	REAL250004626269	1	35	0.0	-68.52	253.30	2.19	-66.33
CC(C)C[NH+]1CCC(C(=O)N(C)C2=NN=N[N-]2)CC1	REAL250004626290	0	41	0.0	-69.87	301.48	7.22	-62.65
CC(C)C[NH+]1CCC(C(=O)N(C)C2=N[N-]N=N2)CC1	REAL250004626290	1	41	0.0	-69.80	301.61	7.19	-62.61
CC1CC2CCC(C(=O)N(C)C3=NN=N[N-]3)C[N@@H+]2C1	REAL250004626310	0	39	0.0	-36.45	287.97	7.05	-29.40
CC1CC2CCC(C(=O)N(C)C3=NN=N[N-]3)C[N@H+]2C1	REAL250004626310	1	39	0.0	-34.12	281.88	7.09	-27.03
CC1CC2CCC(C(=O)N(C)C3=N[N-]N=N3)C[N@@H+]2C1	REAL250004626310	1	39	0.0	-36.38	287.82	7.01	-29.37
CC1CC2CCC(C(=O)N(C)C3=N[N-]N=N3)C[N@H+]2C1	REAL250004626310	1	39	0.0	-34.00	282.01	7.09	-26.91
CN(C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL250004626312	0	39	0.0	-66.46	270.74	6.20	-60.26
CN(C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL250004626312	1	39	0.0	-55.54	275.11	6.89	-48.65
CN(C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL250004626312	1	39	0.0	-66.36	270.88	6.18	-60.18
CN(C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL250004626312	1	39	0.0	-55.41	275.24	6.86	-48.55
CN(C(=O)COC1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL250004626379	0	36	0.0	-74.03	285.39	5.79	-68.24
CN(C(=O)COC1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL250004626379	1	36	0.0	-74.09	285.25	5.82	-68.27
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=NN=N[N-]1	REAL250004626385	1	39	0.0	-72.38	307.51	7.41	-64.97
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004626582	0	39	0.0	-64.85	304.28	7.93	-56.92
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL250004626582	1	39	0.0	-64.26	307.25	8.07	-56.19
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004626582	1	39	0.0	-64.75	304.41	7.91	-56.84
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL250004626582	1	39	0.0	-64.14	307.39	8.05	-56.09
CN(C(=O)C1CC[N@@H+]2CCOCC12)C1=NN=N[N-]1	REAL250004626730	0	34	0.0	-58.78	257.18	3.92	-54.86
CN(C(=O)C1CC[N@H+]2CCOCC12)C1=NN=N[N-]1	REAL250004626730	1	34	0.0	-68.81	260.71	3.85	-64.96
CN(C(=O)C1CC[N@@H+]2CCOCC12)C1=N[N-]N=N1	REAL250004626730	1	34	0.0	-58.65	257.30	3.89	-54.76
CN(C(=O)C1CC[N@H+]2CCOCC12)C1=N[N-]N=N1	REAL250004626730	1	34	0.0	-68.73	260.85	3.82	-64.91
CN(C(=O)C(C)(C)C1CCC[N@H+](C)C1)C1=NN=N[N-]1	REAL250004626822	0	41	0.0	-48.50	284.44	6.09	-42.41
CN(C(=O)C(C)(C)C1CCC[N@@H+](C)C1)C1=NN=N[N-]1	REAL250004626822	1	41	0.0	-48.40	284.46	5.98	-42.42
CN(C(=O)C(C)(C)C1CCC[N@H+](C)C1)C1=N[N-]N=N1	REAL250004626822	1	41	0.0	-48.43	284.56	6.06	-42.37
CN(C(=O)C(C)(C)C1CCC[N@@H+](C)C1)C1=N[N-]N=N1	REAL250004626822	1	41	0.0	-48.26	284.71	5.95	-42.31
CN(C(=O)C1=C[NH+]=CC(Br)=C1N)C1=NN=N[N-]1	REAL250004627054	1	25	0.0	-59.68	233.13	2.33	-57.35
CN(C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=NN=N[N-]1	REAL250004627055	0	33	0.0	-81.59	272.96	3.11	-78.48
CC1=[NH+]C=C2C=CC(C(=O)N(C)C3=NN=N[N-]3)=CN21	REAL250004627057	0	30	0.0	-62.37	253.73	6.59	-55.78
CC[N@@H+]1CCOCC1CC(=O)N(C)C1=NN=N[N-]1	REAL250004627064	1	36	0.0	-67.69	273.21	4.20	-63.49
CC[N@H+]1CCOCC1CC(=O)N(C)C1=NN=N[N-]1	REAL250004627064	1	36	0.0	-67.71	273.56	4.19	-63.52
CN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL250004627408	0	39	0.0	-76.60	309.92	6.59	-70.01
CN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL250004627408	1	39	0.0	-76.69	309.78	6.60	-70.09
COC(=O)CC(C(=O)N(C)C1=NN=N[N-]1)[NH+]1CCCCC1	REAL250004627433	1	41	0.0	-26.24	303.90	6.52	-19.72
CN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=N[N-]N=N1	REAL250004627564	0	38	0.0	-45.28	271.87	6.05	-39.23
CN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=NN=N[N-]1	REAL250004627564	1	38	0.0	-45.33	271.74	6.06	-39.27
CC(C)C[N@@H+]1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004627612	0	41	0.0	-56.09	295.49	7.28	-48.81
CC(C)C[N@H+]1CCCC(C(=O)N(C)C2=NN=N[N-]2)C1	REAL250004627612	1	41	0.0	-38.63	301.78	7.53	-31.10
CC(C)C[N@@H+]1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004627612	1	41	0.0	-56.09	295.49	7.28	-48.81
CC(C)C[N@H+]1CCCC(C(=O)N(C)C2=N[N-]N=N2)C1	REAL250004627612	1	41	0.0	-38.63	301.78	7.53	-31.10
CC[NH+](CC)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627786	0	41	0.0	-51.39	325.28	4.73	-46.66
CC(C)[N@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627790	0	41	0.0	-50.36	323.63	4.57	-45.79
CC(C)[N@@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627790	1	41	0.0	-50.32	323.65	4.57	-45.75
CC(C)(C)[NH2+]CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627796	0	41	0.0	-51.52	328.14	3.09	-48.43
CC(C)(C)[NH2+]CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627796	1	41	0.0	-51.45	328.08	3.08	-48.37
C[NH+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627814	1	35	0.0	-54.60	289.19	3.37	-51.23
CCC[N@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627822	0	41	0.0	-53.06	328.46	4.78	-48.28
CCC[N@@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627822	1	41	0.0	-53.03	328.44	4.78	-48.25
CN1CCCC1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627843	0	39	0.0	-56.02	309.24	3.93	-52.09
C[N@H+]1CCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627843	1	39	0.0	-56.02	309.24	3.93	-52.09
O=C(C[NH+]1CCCC1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627940	1	39	0.0	-52.95	314.71	4.51	-48.44
CCC(C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)[NH+](C)C	REAL250004627950	0	41	0.0	-52.25	319.42	4.38	-47.87
C=C(C[NH+](C)C)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004627998	0	39	0.0	-61.24	321.32	4.42	-56.82
C=C(C[NH+](C)C)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004627998	1	39	0.0	-61.22	321.26	4.42	-56.80
CC1=[NH+]C=CN1CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628083	1	37	0.0	-52.44	318.64	4.99	-47.45
CC1=[NH+]C=CN1CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004628083	1	37	0.0	-52.41	318.58	4.97	-47.44
C[NH+](C)C1(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL250004628085	0	39	0.0	-53.28	314.96	4.07	-49.21
C[N@@H+]1CCC[C@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628224	1	39	0.0	-51.10	315.16	4.38	-46.72
C[N@H+]1CCC[C@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628224	1	39	0.0	-49.80	309.27	3.92	-45.88
C[N@@H+]1CCC[C@@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628225	1	39	0.0	-49.88	309.18	3.93	-45.95
C[N@H+]1CCC[C@@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628225	1	39	0.0	-51.97	315.13	4.42	-47.55
C[C@H](C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)[NH+](C)C	REAL250004628226	0	38	0.0	-51.25	307.31	3.79	-47.46
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C12CC[NH+](CC1)C2	REAL250004628227	0	40	0.0	-62.57	320.85	3.89	-58.68
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C12CC[NH+](CC1)C2	REAL250004628227	1	40	0.0	-62.61	320.79	3.87	-58.74
CC1=C[NH+]=CN1CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628231	1	37	0.0	-52.65	317.94	5.67	-46.98
CC1=C[NH+]=CN1CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004628231	1	37	0.0	-52.68	317.89	5.66	-47.02
C[C@@H](C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)[NH+](C)C	REAL250004628240	0	38	0.0	-54.31	307.08	3.78	-50.53
CC[C@@H](C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)[NH+](C)C	REAL250004628254	0	41	0.0	-52.00	319.37	4.41	-47.59
CC[C@H](C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)[NH+](C)C	REAL250004628255	0	41	0.0	-49.20	318.53	4.42	-44.78
CC[N@@H+]1CCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628288	1	39	0.0	-53.53	313.08	4.22	-49.31
CC[N@H+]1CCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628288	1	39	0.0	-52.97	313.75	4.02	-48.95
CC(C[NH+](C)C)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628320	0	41	0.0	-60.69	327.59	4.63	-56.06
CC(C[NH+](C)C)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004628320	1	41	0.0	-60.65	327.53	4.62	-56.03
C[NH+](C)CC=CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628321	0	39	0.0	-66.37	325.15	4.59	-61.78
C[NH+](C)CC=CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004628321	1	39	0.0	-66.32	325.09	4.58	-61.74
C[NH+]1CC2(C)CN(C(=O)CCCC3=N[N-]N=N3)CC2(C)C1	REAL250004628515	0	45	0.0	-68.98	339.42	5.03	-63.95
C[NH+]1CC2(C)CN(C(=O)CCCC3=NN=N[N-]3)CC2(C)C1	REAL250004628515	1	45	0.0	-69.02	339.48	5.04	-63.98
C[NH+](C)CC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004628525	0	45	0.0	-73.26	333.87	3.06	-70.20
C[NH+](C)CC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004628525	1	45	0.0	-73.33	333.92	3.07	-70.26
O=C(CCCC1=N[N-]N=N1)NCC12CCC[NH+](CCC1)C2	REAL250004628560	0	45	0.0	-71.82	330.99	4.41	-67.41
O=C(CCCC1=NN=N[N-]1)NCC12CCC[NH+](CCC1)C2	REAL250004628560	1	45	0.0	-71.80	331.05	4.42	-67.38
NC(=O)C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004628562	1	42	0.0	-76.24	333.37	-0.10	-76.34
C[NH+](C)C1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004628588	0	44	0.0	-71.90	315.67	4.59	-67.31
C[NH+](C)C1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004628588	1	44	0.0	-71.98	315.73	4.60	-67.38
O=C(CCCC1=N[N-]N=N1)NCC[N@H+]1CC[C@H](O)C1	REAL250004628602	0	39	0.0	-70.66	313.63	-0.42	-71.08
O=C(CCCC1=N[N-]N=N1)NCC[N@@H+]1CC[C@H](O)C1	REAL250004628602	1	39	0.0	-70.38	314.04	-0.44	-70.82
O=C(CCCC1=NN=N[N-]1)NCC[N@H+]1CC[C@H](O)C1	REAL250004628602	1	39	0.0	-70.68	313.68	-0.40	-71.08
O=C(CCCC1=NN=N[N-]1)NCC[N@@H+]1CC[C@H](O)C1	REAL250004628602	1	39	0.0	-70.35	314.09	-0.42	-70.77
CCC1([NH+](C)C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004628628	0	47	0.0	-72.20	323.72	5.13	-67.07
CCC1([NH+](C)C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004628628	1	47	0.0	-72.24	323.78	5.15	-67.09
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+]1C1CCCC1	REAL250004628648	0	45	0.0	-71.38	333.17	5.25	-66.13
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+]1C1CCCC1	REAL250004628648	1	45	0.0	-69.73	341.14	4.22	-65.51
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+]1C1CCCC1	REAL250004628648	1	45	0.0	-71.39	333.23	5.27	-66.12
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+]1C1CCCC1	REAL250004628648	1	45	0.0	-69.75	341.20	4.24	-65.51
CC[NH+](CC)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628929	0	39	0.0	-56.03	290.97	1.75	-54.28
CC(C)[N@H+](C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628935	0	39	0.0	-54.70	289.77	1.57	-53.13
CC(C)[N@@H+](C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628935	1	39	0.0	-54.56	289.77	1.57	-52.99
CC(C)(C)[NH2+]CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628945	0	39	0.0	-54.88	294.27	0.06	-54.82
CC(C)(C)[NH2+]CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628945	1	39	0.0	-54.90	294.35	0.10	-54.80
O=C(CC[NH+]1CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004628949	1	41	0.0	-65.30	311.00	0.41	-64.89
C[NH+](C)CCCCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004628986	0	42	0.0	-70.76	320.69	2.54	-68.22
C[NH+](C)CCCCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628986	1	42	0.0	-70.73	320.76	2.56	-68.17
CCC[N@H+](C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628993	0	39	0.0	-57.08	294.57	1.80	-55.28
CCC[N@@H+](C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004628993	1	39	0.0	-57.04	294.58	1.80	-55.24
CC[N@@H+]1CCOC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629023	1	41	0.0	-77.78	306.05	1.09	-76.69
CC[N@H+]1CCOC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004629023	1	41	0.0	-60.28	298.49	1.05	-59.23
C[N@@H+]1CCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629038	0	37	0.0	-54.59	277.69	1.16	-53.43
C[N@H+]1CCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629038	1	37	0.0	-55.09	278.02	1.16	-53.93
CC1CCC(C)[NH+]1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629053	0	43	0.0	-53.99	312.39	2.26	-51.73
C[NH+]1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629062	0	40	0.0	-72.24	298.91	1.84	-70.40
C[NH+]1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629062	1	40	0.0	-72.26	298.98	1.86	-70.40
CCC(C(=O)N1CCOCC1C1=N[N-]N=N1)[NH+](CC)CC	REAL250004629067	0	45	0.0	-49.09	316.09	2.63	-46.46
CCC(C(=O)N1CCOCC1C1=NN=N[N-]1)[NH+](CC)CC	REAL250004629067	1	45	0.0	-49.06	316.14	2.65	-46.41
C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629101	1	40	0.0	-52.67	295.88	1.93	-50.74
C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629101	1	40	0.0	-55.23	285.04	1.39	-53.84
CC1CC[NH+](CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629140	0	43	0.0	-57.80	318.36	2.83	-54.97
O=C(C[NH+]1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL250004629194	0	37	0.0	-56.43	280.54	1.42	-55.01
CC[N@H+](CC(=O)N1CCOCC1C1=NN=N[N-]1)C1CC1	REAL250004629207	0	40	0.0	-53.82	304.38	2.43	-51.39
CC[N@@H+](CC(=O)N1CCOCC1C1=NN=N[N-]1)C1CC1	REAL250004629207	1	40	0.0	-54.95	301.55	2.32	-52.63
CCC(C(=O)N1CCOCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004629220	0	39	0.0	-55.72	284.02	1.41	-54.31
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629226	1	35	0.0	-77.54	283.20	3.53	-74.01
CCC(C)(C)[NH2+]C(C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629236	0	45	0.0	-56.03	320.74	0.96	-55.07
CCC(C)(C)[NH2+]C(C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629236	1	45	0.0	-56.06	320.80	0.97	-55.09
C=C(C[NH+](C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629329	0	37	0.0	-62.82	288.22	1.44	-61.38
C=C(C[NH+](C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629329	1	37	0.0	-62.84	288.28	1.44	-61.40
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629478	1	35	0.0	-67.92	282.97	3.51	-64.41
CC1=[NH+]C=CN1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629481	1	35	0.0	-54.40	285.09	1.94	-52.46
CC1=[NH+]C=CN1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629481	1	35	0.0	-54.38	285.16	1.95	-52.43
C[N@H+](CC(=O)N1CCOCC1C1=NN=N[N-]1)C1CCC1	REAL250004629609	0	40	0.0	-54.28	301.95	2.33	-51.95
C[N@@H+](CC(=O)N1CCOCC1C1=NN=N[N-]1)C1CCC1	REAL250004629609	1	40	0.0	-54.82	301.48	2.34	-52.48
CC[C@@H]1[C@@H](C(=O)N2CCOCC2C2=NN=N[N-]2)CC[N@@H+]1C	REAL250004629668	0	43	0.0	-66.46	310.39	1.96	-64.50
CC[C@@H]1[C@@H](C(=O)N2CCOCC2C2=NN=N[N-]2)CC[N@H+]1C	REAL250004629668	1	43	0.0	-63.90	312.57	2.29	-61.61
CC[C@@H]1[C@@H](C(=O)N2CCOCC2C2=N[N-]N=N2)CC[N@@H+]1C	REAL250004629668	1	43	0.0	-66.43	310.32	1.95	-64.48
CC[C@@H]1[C@@H](C(=O)N2CCOCC2C2=N[N-]N=N2)CC[N@H+]1C	REAL250004629668	1	43	0.0	-63.93	312.50	2.28	-61.65
C[C@@H]1[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)CC[N@@H+]1C	REAL250004629675	0	40	0.0	-70.23	289.85	1.48	-68.75
C[C@@H]1[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)CC[N@H+]1C	REAL250004629675	1	40	0.0	-66.51	294.18	2.28	-64.23
C[C@@H]1[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)CC[N@@H+]1C	REAL250004629675	1	40	0.0	-70.22	289.80	1.47	-68.75
C[C@@H]1[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)CC[N@H+]1C	REAL250004629675	1	40	0.0	-66.49	294.11	2.27	-64.22
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629691	1	43	0.0	-57.42	316.42	2.20	-55.22
CC(C)(C)[N@H+]1CCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629691	1	43	0.0	-56.99	316.52	2.13	-54.86
O=C(N1CCOCC1C1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL250004629702	0	41	0.0	-67.67	289.06	1.20	-66.47
O=C(N1CCOCC1C1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL250004629702	1	41	0.0	-66.98	289.50	1.29	-65.69
O=C(N1CCOCC1C1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL250004629702	1	41	0.0	-67.64	288.98	1.19	-66.45
O=C(N1CCOCC1C1=N[N-]N=N1)C12CC[N@@H+](C1)CCC2	REAL250004629702	1	41	0.0	-66.97	289.44	1.28	-65.69
C[NH+](C)CC1(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629734	0	40	0.0	-61.74	304.33	2.02	-59.72
C[NH+](C)CC1(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629734	1	40	0.0	-61.73	304.39	2.05	-59.68
C[N@@H+]1CCC[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629750	0	37	0.0	-54.06	277.28	1.09	-52.97
C[N@H+]1CCC[C@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629750	1	37	0.0	-57.67	273.93	0.93	-56.74
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629751	0	37	0.0	-58.45	273.53	1.05	-57.40
C[N@H+]1CCC[C@@H]1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629751	1	37	0.0	-54.44	277.67	1.22	-53.22
C[C@H](C(=O)N1CCOCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004629752	0	36	0.0	-56.47	271.09	0.79	-55.68
O=C(N1CCOCC1C1=NN=N[N-]1)C12CC[NH+](CC1)C2	REAL250004629754	0	38	0.0	-69.27	279.38	0.63	-68.64
O=C(N1CCOCC1C1=N[N-]N=N1)C12CC[NH+](CC1)C2	REAL250004629754	1	38	0.0	-69.25	279.32	0.60	-68.65
CC1=C[NH+]=CN1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629766	1	35	0.0	-57.63	284.05	2.68	-54.95
CC1=C[NH+]=CN1CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629766	1	35	0.0	-57.63	283.97	2.66	-54.97
C[C@@H](C(=O)N1CCOCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004629783	0	36	0.0	-55.48	271.59	0.89	-54.59
CC1C[N@H+](C)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629786	1	41	0.0	-81.92	302.55	0.83	-81.09
CC1C[N@@H+](C)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL250004629786	1	41	0.0	-79.83	302.73	0.98	-78.85
C[N@@H+]1CCCC1CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629787	0	43	0.0	-70.48	322.77	2.91	-67.57
C[N@H+]1CCCC1CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629787	1	43	0.0	-70.03	319.03	2.75	-67.28
C[N@@H+]1CCCC1CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629787	1	43	0.0	-70.53	322.83	2.94	-67.59
C[N@H+]1CCCC1CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629787	1	43	0.0	-70.03	319.09	2.76	-67.27
C[N@H+](CC(=O)N1CCOCC1C1=N[N-]N=N1)CC(C)(C)C	REAL250004629793	0	45	0.0	-57.09	323.48	2.77	-54.32
C[N@@H+](CC(=O)N1CCOCC1C1=N[N-]N=N1)CC(C)(C)C	REAL250004629793	1	45	0.0	-56.62	325.45	3.00	-53.62
C[N@H+](CC(=O)N1CCOCC1C1=NN=N[N-]1)CC(C)(C)C	REAL250004629793	1	45	0.0	-57.05	323.55	2.77	-54.28
C[N@@H+](CC(=O)N1CCOCC1C1=NN=N[N-]1)CC(C)(C)C	REAL250004629793	1	45	0.0	-56.63	325.51	3.01	-53.62
C=C(CC[NH+](C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629796	0	40	0.0	-83.52	300.73	1.77	-81.75
C=C(CC[NH+](C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629796	1	40	0.0	-83.53	300.79	1.79	-81.74
C[NH+]1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004629818	0	40	0.0	-72.24	298.91	1.84	-70.40
C[NH+]1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004629818	1	40	0.0	-72.26	298.98	1.86	-70.40
CC[C@@H](C(=O)N1CCOCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004629823	0	39	0.0	-56.48	286.98	1.41	-55.07
CC[C@H](C(=O)N1CCOCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004629824	0	39	0.0	-53.64	283.25	1.29	-52.35
C[N@@H+]1CCCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629863	1	40	0.0	-55.28	284.52	1.52	-53.76
C[N@H+]1CCCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629863	1	40	0.0	-54.62	295.41	2.07	-52.55
CC[N@@H+]1CCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629903	1	37	0.0	-59.05	286.78	1.31	-57.74
CC[N@H+]1CCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629903	1	37	0.0	-55.98	278.32	0.98	-55.00
O=C(CC[N@H+]1CCC(F)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629907	0	40	0.0	-69.10	309.58	2.23	-66.87
O=C(CC[N@@H+]1CCC(F)C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629907	1	40	0.0	-67.36	309.45	2.18	-65.18
CC(CC[NH+](C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629910	0	42	0.0	-68.24	315.31	2.10	-66.14
CC(CC[NH+](C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629910	1	42	0.0	-68.26	315.39	2.10	-66.16
CC(C)[N@@H+]1CCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629960	0	43	0.0	-54.53	312.89	2.27	-52.26
CC(C)[N@H+]1CCCC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629960	1	43	0.0	-57.48	303.40	2.69	-54.79
CC(C)(C)[NH2+]CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629965	0	42	0.0	-66.83	315.83	0.69	-66.14
CC(C)(C)[NH2+]CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629965	1	42	0.0	-66.83	315.90	0.71	-66.12
C[NH+](C)CC(O)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629983	0	40	0.0	-71.12	308.34	-0.68	-71.80
C[NH+](C)CC(O)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629983	1	40	0.0	-71.11	308.40	-0.67	-71.78
CC(C[NH+](C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629984	0	39	0.0	-55.77	293.15	1.65	-54.12
CC(C[NH+](C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629984	1	39	0.0	-55.79	293.21	1.65	-54.14
C[NH+](C)CC=CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629985	0	37	0.0	-70.58	289.83	1.73	-68.85
C[NH+](C)CC=CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629985	1	37	0.0	-70.59	289.88	1.75	-68.84
C=CCC(C(=O)N1CCOCC1C1=NN=N[N-]1)[NH+](C)C	REAL250004630027	0	40	0.0	-52.44	296.80	1.97	-50.47
C[N@@H+]1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630033	0	40	0.0	-48.64	290.09	1.95	-46.69
C[N@H+]1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630033	1	40	0.0	-65.10	296.40	1.94	-63.16
C[N@@H+]1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630033	1	40	0.0	-48.66	290.02	1.94	-46.72
C[N@H+]1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630033	1	40	0.0	-65.07	296.33	1.93	-63.14
C[N@H+]1CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004630051	0	41	0.0	-60.98	314.80	2.71	-58.27
C[N@@H+]1CC=C(CC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL250004630051	1	41	0.0	-57.02	314.45	2.73	-54.29
C[N@H+]1CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004630051	1	41	0.0	-61.00	314.87	2.73	-58.27
C[N@@H+]1CC=C(CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL250004630051	1	41	0.0	-57.02	314.51	2.75	-54.27
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630336	0	40	0.0	-67.10	304.63	2.05	-65.05
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630336	1	40	0.0	-67.12	304.69	2.06	-65.06
CC[N@@H+]1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630353	0	43	0.0	-49.99	307.63	2.67	-47.32
CC[N@H+]1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL250004630353	1	43	0.0	-49.27	307.19	2.82	-46.45
CC[N@@H+]1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630353	1	43	0.0	-50.02	307.56	2.64	-47.38
CC[N@H+]1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL250004630353	1	43	0.0	-49.33	307.13	2.80	-46.53
O=C(CCCC1=N[N-]N=N1)NCC[N@H+]1CC[C@@H](O)C1	REAL250004630366	0	39	0.0	-70.61	312.89	-0.51	-71.12
O=C(CCCC1=N[N-]N=N1)NCC[N@@H+]1CC[C@@H](O)C1	REAL250004630366	1	39	0.0	-70.19	313.84	-0.44	-70.63
O=C(CCCC1=NN=N[N-]1)NCC[N@H+]1CC[C@@H](O)C1	REAL250004630366	1	39	0.0	-70.58	312.95	-0.49	-71.07
O=C(CCCC1=NN=N[N-]1)NCC[N@@H+]1CC[C@@H](O)C1	REAL250004630366	1	39	0.0	-70.17	313.90	-0.42	-70.59
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004630379	0	45	0.0	-71.10	347.28	1.45	-69.65
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004630379	1	45	0.0	-71.02	345.74	1.50	-69.52
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004630379	1	45	0.0	-71.11	347.34	1.47	-69.64
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004630379	1	45	0.0	-71.03	345.80	1.52	-69.51
C[NH+](C)CC#CCNC(=O)CCCC1=NN=N[N-]1	REAL250004630403	0	36	0.0	-72.83	306.45	3.31	-69.52
C[NH+](C)CC#CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630404	0	39	0.0	-81.11	331.14	6.17	-74.94
C[NH+](C)CC#CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630405	0	36	0.0	-60.10	317.05	3.09	-57.01
C[NH+]1CC2CCC(C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004630408	0	39	0.0	-74.22	298.19	4.83	-69.39
C[NH+]1CC2CCC(C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004630408	1	39	0.0	-74.24	298.25	4.84	-69.40
C[NH+]1CC2CCC(C1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630409	1	39	0.0	-60.12	305.40	5.06	-55.06
C[NH+]1CC2CCC(C1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630409	1	39	0.0	-60.15	305.32	5.04	-55.11
O=C(CCCC1=N[N-]N=N1)NC12CC[NH+](CC1)C2	REAL250004630422	0	36	0.0	-70.49	283.34	1.80	-68.69
O=C(CCCC1=NN=N[N-]1)NC12CC[NH+](CC1)C2	REAL250004630422	1	36	0.0	-70.49	283.40	1.82	-68.67
O=C(NC12CC[NH+](CC1)C2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004630423	0	39	0.0	-75.81	307.68	4.72	-71.09
O=C(NC12CC[NH+](CC1)C2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004630423	1	39	0.0	-75.77	308.15	4.71	-71.06
O=C(NC12CC[NH+](CC1)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630424	0	36	0.0	-61.02	293.73	1.59	-59.43
O=C(NC12CC[NH+](CC1)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630424	1	36	0.0	-61.10	293.66	1.59	-59.51
O=C(CCCC1=NN=N[N-]1)NCC1(CO)COCC[NH2+]1	REAL250004630496	1	40	0.0	-79.66	312.51	-3.29	-82.95
C[N@@H+]1CCC2CN(C(=O)CCCC3=N[N-]N=N3)CCC21	REAL250004630517	0	42	0.0	-72.91	318.91	4.90	-68.01
C[N@H+]1CCC2CN(C(=O)CCCC3=N[N-]N=N3)CCC21	REAL250004630517	1	42	0.0	-73.55	314.32	4.63	-68.92
C[N@@H+]1CCC2CN(C(=O)CCCC3=NN=N[N-]3)CCC21	REAL250004630517	1	42	0.0	-72.88	318.96	4.91	-67.97
C[N@H+]1CCC2CN(C(=O)CCCC3=NN=N[N-]3)CCC21	REAL250004630517	1	42	0.0	-73.57	314.37	4.65	-68.92
CC(C)[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1C	REAL250004630524	0	44	0.0	-72.35	324.11	5.13	-67.22
CC(C)[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1C	REAL250004630524	1	44	0.0	-72.33	321.12	4.79	-67.54
CC(C)[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1C	REAL250004630524	1	44	0.0	-72.37	324.16	5.14	-67.23
CC(C)[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1C	REAL250004630524	1	44	0.0	-72.34	321.18	4.80	-67.54
C[NH+](C)C1(C)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004630531	0	47	0.0	-72.96	335.42	4.57	-68.39
C[NH+](C)C1(C)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004630531	1	47	0.0	-72.94	335.48	4.59	-68.35
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=NC(N)=[NH+]1	REAL250004630586	0	35	0.0	-62.40	302.02	2.53	-59.87
O=C(CCCC1=N[N-]N=N1)NC12CC[N@H+](C1)CCC2	REAL250004630593	0	39	0.0	-65.30	292.29	2.51	-62.79
O=C(CCCC1=N[N-]N=N1)NC12CC[N@@H+](C1)CCC2	REAL250004630593	1	39	0.0	-65.45	292.45	2.53	-62.92
O=C(CCCC1=NN=N[N-]1)NC12CC[N@H+](C1)CCC2	REAL250004630593	1	39	0.0	-65.34	292.35	2.53	-62.81
O=C(CCCC1=NN=N[N-]1)NC12CC[N@@H+](C1)CCC2	REAL250004630593	1	39	0.0	-65.45	292.51	2.54	-62.91
O=C(NC12CC[N@H+](C1)CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630594	0	39	0.0	-62.26	303.66	2.33	-59.93
O=C(NC12CC[N@@H+](C1)CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630594	1	39	0.0	-58.40	303.11	2.34	-56.06
O=C(NC12CC[N@H+](C1)CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630594	1	39	0.0	-62.26	303.59	2.33	-59.93
O=C(NC12CC[N@@H+](C1)CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630594	1	39	0.0	-58.43	303.04	2.34	-56.09
C[NH+](C)CC1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004630598	0	42	0.0	-73.55	326.02	1.84	-71.71
C[NH+](C)CC1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004630598	1	42	0.0	-73.54	326.08	1.86	-71.68
CC[N@@H+]1CCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004630675	0	38	0.0	-69.55	299.85	3.25	-66.30
CC[N@H+]1CCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004630675	1	38	0.0	-69.11	303.64	3.02	-66.09
CC[N@@H+]1CCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004630675	1	38	0.0	-69.52	299.91	3.27	-66.25
CC[N@H+]1CCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004630675	1	38	0.0	-69.11	303.70	3.04	-66.07
CC[N@@H+]1CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630676	1	38	0.0	-56.72	310.06	3.14	-53.58
CC[N@H+]1CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630676	1	38	0.0	-56.54	310.18	2.94	-53.60
CC1([NH+]2CCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004630677	0	45	0.0	-70.89	327.31	5.11	-65.78
CC1([NH+]2CCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004630677	1	45	0.0	-70.95	327.37	5.12	-65.83
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004630750	0	41	0.0	-71.73	303.92	4.51	-67.22
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004630750	1	41	0.0	-71.75	303.87	4.49	-67.26
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004630750	1	41	0.0	-71.79	303.97	4.53	-67.26
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004630750	1	41	0.0	-71.79	303.92	4.51	-67.28
O=C(CCCC1=N[N-]N=N1)NC1C[NH+]2CCC1CC2	REAL250004630772	0	39	0.0	-66.79	298.01	3.33	-63.46
O=C(CCCC1=NN=N[N-]1)NC1C[NH+]2CCC1CC2	REAL250004630772	1	39	0.0	-66.82	298.07	3.35	-63.47
O=C(NC1C[NH+]2CCC1CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004630773	0	39	0.0	-57.80	308.68	3.14	-54.66
O=C(NC1C[NH+]2CCC1CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004630773	1	39	0.0	-57.82	308.60	3.13	-54.69
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO	REAL250004630778	0	43	0.0	-74.94	327.43	1.98	-72.96
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO	REAL250004630778	1	43	0.0	-69.52	321.57	1.33	-68.19
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO	REAL250004630778	1	43	0.0	-74.98	327.49	1.99	-72.99
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO	REAL250004630778	1	43	0.0	-69.56	321.63	1.34	-68.22
CC[NH+](CC)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631068	0	43	0.0	-50.58	318.94	5.24	-45.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@H+](C)C(C)C	REAL250004631074	0	43	0.0	-50.26	320.61	5.20	-45.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@@H+](C)C(C)C	REAL250004631074	1	43	0.0	-51.24	320.56	5.21	-46.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[NH2+]C(C)(C)C	REAL250004631084	0	43	0.0	-51.54	325.08	3.71	-47.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[NH2+]C(C)(C)C	REAL250004631084	1	43	0.0	-51.57	325.13	3.71	-47.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC[NH+]1CCOCC1	REAL250004631088	1	45	0.0	-61.25	341.45	4.07	-57.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC[NH+](C)C	REAL250004631137	0	46	0.0	-65.36	348.49	6.08	-59.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC[NH+](C)C	REAL250004631137	1	46	0.0	-65.38	348.55	6.09	-59.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C(C)C)[NH+](C)C	REAL250004631139	0	46	0.0	-58.81	328.68	5.45	-53.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C(C)C)[NH+](C)C	REAL250004631139	1	46	0.0	-58.84	328.74	5.47	-53.37
CCC[N@H+](C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631145	0	43	0.0	-53.14	325.41	5.43	-47.71
CCC[N@@H+](C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631145	1	43	0.0	-52.25	322.63	5.35	-46.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL250004631170	0	44	0.0	-35.50	327.14	5.73	-29.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC[N@H+]1C	REAL250004631170	1	44	0.0	-45.56	319.95	5.62	-39.94
CC[N@@H+]1CCOC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004631178	1	45	0.0	-60.36	336.78	4.90	-55.46
CC[N@H+]1CCOC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL250004631178	1	45	0.0	-60.59	325.58	4.49	-56.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@@H+]1C	REAL250004631196	0	41	0.0	-47.76	306.41	4.59	-43.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@H+]1C	REAL250004631196	1	41	0.0	-52.45	302.58	4.63	-47.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[NH+]1C(C)CCC1C	REAL250004631212	0	47	0.0	-49.10	340.36	5.93	-43.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[NH+](C)CC1	REAL250004631222	0	44	0.0	-67.90	323.36	5.71	-62.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[NH+](C)CC1	REAL250004631222	1	44	0.0	-67.92	323.41	5.72	-62.20
CCC(C(=O)N(CC1=N[N-]N=N1)CC(C)C)[NH+](CC)CC	REAL250004631227	0	49	0.0	-38.36	341.39	6.38	-31.98
CCC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)[NH+](CC)CC	REAL250004631227	1	49	0.0	-38.39	341.44	6.40	-31.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@H+](C)CCO1	REAL250004631239	1	42	0.0	-46.19	311.43	4.14	-42.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@@H+](C)CCO1	REAL250004631239	1	42	0.0	-76.11	313.84	4.16	-71.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCCC[N@@H+]1C	REAL250004631262	0	44	0.0	-48.35	318.37	5.30	-43.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCCC[N@H+]1C	REAL250004631262	1	44	0.0	-46.08	324.23	5.51	-40.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1([NH+](C)C)CCC1	REAL250004631308	0	44	0.0	-50.42	310.92	4.71	-45.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[NH+]1CCC(C)CC1	REAL250004631313	0	47	0.0	-53.26	348.96	6.49	-46.77
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H](C(C)C)[NH+](C)C	REAL250004631328	0	46	0.0	-48.99	328.54	5.25	-43.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](C(C)C)[NH+](C)C	REAL250004631328	1	46	0.0	-48.95	328.60	5.27	-43.68
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[NH+]1CCCC1	REAL250004631385	0	41	0.0	-49.28	309.03	5.02	-44.26
CC[N@H+](CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CC1	REAL250004631401	0	44	0.0	-47.18	325.22	5.61	-41.57
CC[N@@H+](CC(=O)N(CC1=NN=N[N-]1)CC(C)C)C1CC1	REAL250004631401	1	44	0.0	-50.11	329.32	5.92	-44.19
CCC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)[NH+](C)C	REAL250004631415	0	43	0.0	-51.69	311.19	4.66	-47.03
CCCC(C(=O)N(CC1=NN=N[N-]1)CC(C)C)[NH+](C)C	REAL250004631418	0	46	0.0	-51.57	333.26	5.85	-45.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL250004631422	1	39	0.0	-65.67	321.09	7.45	-58.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC[NH+](C)CC1	REAL250004631432	0	47	0.0	-63.95	324.97	5.71	-58.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC[NH+](C)CC1	REAL250004631432	1	47	0.0	-63.94	325.02	5.72	-58.22
CCC(C)(C)[NH2+]C(C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631434	0	49	0.0	-53.06	344.31	4.08	-48.98
CCC(C)(C)[NH2+]C(C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631434	1	49	0.0	-53.09	344.38	4.09	-49.00
C=C(C[NH+](C)C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631550	0	41	0.0	-51.64	307.86	4.85	-46.79
C=C(C[NH+](C)C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631550	1	41	0.0	-51.67	307.92	4.86	-46.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCC[NH+]1CCC2	REAL250004631642	0	45	0.0	-31.94	314.63	6.07	-25.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@@H+]1C1CC1	REAL250004631678	0	45	0.0	-36.98	340.26	6.46	-30.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@H+]1C1CC1	REAL250004631678	1	45	0.0	-53.31	332.31	5.87	-47.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL250004631730	1	39	0.0	-61.15	308.46	6.93	-54.22
CC1=[NH+]C=CN1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004631735	1	39	0.0	-50.10	313.15	5.49	-44.61
CC1=[NH+]C=CN1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004631735	1	39	0.0	-50.16	313.21	5.50	-44.66
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1([NH+](C)C)CC1	REAL250004631739	0	41	0.0	-51.66	298.01	4.76	-46.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@H+](C)C1CCC1	REAL250004631881	0	44	0.0	-50.48	332.42	6.01	-44.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@@H+](C)C1CCC1	REAL250004631881	1	44	0.0	-48.96	330.37	5.92	-43.04
CC[C@@H]1[C@@H](C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC[N@@H+]1C	REAL250004631954	0	47	0.0	-58.80	334.31	5.39	-53.41
CC[C@@H]1[C@@H](C(=O)N(CC2=NN=N[N-]2)CC(C)C)CC[N@H+]1C	REAL250004631954	1	47	0.0	-57.97	351.73	6.30	-51.67
CC[C@@H]1[C@@H](C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC[N@@H+]1C	REAL250004631954	1	47	0.0	-58.73	334.25	5.37	-53.36
CC[C@@H]1[C@@H](C(=O)N(CC2=N[N-]N=N2)CC(C)C)CC[N@H+]1C	REAL250004631954	1	47	0.0	-57.97	351.67	6.28	-51.69
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL250004631962	0	44	0.0	-59.11	322.45	5.00	-54.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL250004631962	1	44	0.0	-55.57	328.81	5.53	-50.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL250004631962	1	44	0.0	-59.09	322.40	4.98	-54.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL250004631962	1	44	0.0	-55.55	328.74	5.52	-50.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL250004631980	1	47	0.0	-54.67	322.23	4.78	-49.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL250004631980	1	47	0.0	-48.20	325.78	5.08	-43.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CC[N@H+](C1)CCC2	REAL250004631992	0	45	0.0	-62.28	313.82	4.58	-57.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CC[N@@H+](C1)CCC2	REAL250004631992	1	45	0.0	-53.20	309.95	4.82	-48.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CC[N@H+](C1)CCC2	REAL250004631992	1	45	0.0	-62.24	313.76	4.56	-57.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CC[N@@H+](C1)CCC2	REAL250004631992	1	45	0.0	-53.18	309.90	4.82	-48.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C[NH+](C)C)CC1	REAL250004632033	0	44	0.0	-62.33	330.38	5.71	-56.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C[NH+](C)C)CC1	REAL250004632033	1	44	0.0	-62.32	330.43	5.73	-56.59
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL250004632051	0	41	0.0	-47.48	307.37	4.66	-42.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCC[N@H+]1C	REAL250004632051	1	41	0.0	-39.92	311.46	5.04	-34.88
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CCC[N@@H+]1C	REAL250004632052	0	41	0.0	-52.43	311.43	4.99	-47.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CCC[N@H+]1C	REAL250004632052	1	41	0.0	-56.35	305.95	4.54	-51.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H](C)[NH+](C)C	REAL250004632053	0	40	0.0	-54.84	300.33	4.32	-50.52
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CC[NH+](CC1)C2	REAL250004632056	0	42	0.0	-63.53	302.16	4.28	-59.25
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CC[NH+](CC1)C2	REAL250004632056	1	42	0.0	-63.52	302.10	4.27	-59.25
CC1=C[NH+]=CN1CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632070	1	39	0.0	-49.74	313.07	6.23	-43.51
CC1=C[NH+]=CN1CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632070	1	39	0.0	-49.75	313.01	6.22	-43.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H](C)[NH+](C)C	REAL250004632089	0	40	0.0	-49.26	301.22	4.39	-44.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@H+](C)CC(C)O1	REAL250004632092	1	45	0.0	-70.94	330.69	4.78	-66.16
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@@H+](C)CC(C)O1	REAL250004632092	1	45	0.0	-56.10	341.26	5.21	-50.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CCC[N@@H+]1C	REAL250004632093	0	47	0.0	-62.67	340.47	5.87	-56.80
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1CCC[N@H+]1C	REAL250004632093	1	47	0.0	-59.45	347.94	6.33	-53.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCC[N@@H+]1C	REAL250004632093	1	47	0.0	-62.67	340.53	5.87	-56.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1CCC[N@H+]1C	REAL250004632093	1	47	0.0	-59.38	348.00	6.34	-53.04
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[N@H+](C)CC(C)(C)C	REAL250004632099	0	49	0.0	-51.13	353.51	6.50	-44.63
CC(C)CN(CC1=N[N-]N=N1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL250004632099	1	49	0.0	-52.83	356.26	6.57	-46.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@H+](C)CC(C)(C)C	REAL250004632099	1	49	0.0	-51.15	353.57	6.51	-44.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL250004632099	1	49	0.0	-52.86	356.32	6.59	-46.27
C=C(CC[NH+](C)C)C(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL250004632102	0	44	0.0	-62.67	325.19	5.20	-57.47
C=C(CC[NH+](C)C)C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632102	1	44	0.0	-62.68	325.23	5.20	-57.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[NH+](C)CC1	REAL250004632125	0	44	0.0	-67.90	323.36	5.71	-62.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[NH+](C)CC1	REAL250004632125	1	44	0.0	-67.92	323.41	5.72	-62.20
CC[C@@H](C(=O)N(CC1=NN=N[N-]1)CC(C)C)[NH+](C)C	REAL250004632130	0	43	0.0	-46.17	312.00	5.31	-40.86
CC[C@H](C(=O)N(CC1=NN=N[N-]1)CC(C)C)[NH+](C)C	REAL250004632131	0	43	0.0	-54.72	311.80	4.91	-49.81
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC[N@@H+]1C	REAL250004632186	0	44	0.0	-35.50	327.14	5.73	-29.77
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC[N@H+]1C	REAL250004632186	1	44	0.0	-45.56	319.95	5.62	-39.94
CC[N@@H+]1CCC1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632232	1	41	0.0	-41.58	314.80	5.23	-36.35
CC[N@H+]1CCC1C(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL250004632232	1	41	0.0	-54.64	316.24	4.89	-49.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC[N@@H+]1CCC(F)C1	REAL250004632236	0	44	0.0	-61.55	339.22	5.81	-55.74
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC[N@H+]1CCC(F)C1	REAL250004632236	1	44	0.0	-62.54	338.58	5.81	-56.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)CC[NH+](C)C	REAL250004632239	0	46	0.0	-56.53	341.94	6.00	-50.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)CC[NH+](C)C	REAL250004632239	1	46	0.0	-56.49	341.93	6.00	-50.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1([NH+](C)C)CCCC1	REAL250004632288	0	47	0.0	-49.54	322.68	5.53	-44.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1([NH+](C)C)CCCC1	REAL250004632288	1	47	0.0	-49.49	322.74	5.56	-43.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@@H+]1C(C)C	REAL250004632301	0	47	0.0	-52.84	328.58	5.79	-47.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@H+]1C(C)C	REAL250004632301	1	47	0.0	-41.63	335.37	6.13	-35.50
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC[NH2+]C(C)(C)C	REAL250004632306	0	46	0.0	-61.14	346.63	4.34	-56.80
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C[N@@H+]1CCCC(O)(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL250004634573	0	43	0.0	-57.49	312.52	1.96	-55.53
C[N@H+]1CCCC(O)(CC(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL250004634573	1	43	0.0	-62.20	309.77	2.07	-60.13
C[N@@H+]1CCCC(O)(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL250004634573	1	43	0.0	-57.56	312.59	1.96	-55.60
C[N@H+]1CCCC(O)(CC(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL250004634573	1	43	0.0	-62.20	309.84	2.07	-60.13
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CCC[N@@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL250004634701	0	45	0.0	-52.15	329.69	5.13	-47.02
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CCC[N@@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL250004634701	1	45	0.0	-52.15	329.62	5.14	-47.01
CCC[N@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL250004634701	1	45	0.0	-59.65	335.63	4.96	-54.69
CC(CC[NH+](C)C)C(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004634702	0	41	0.0	-65.27	312.21	3.82	-61.45
CC(CC[NH+](C)C)C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634702	1	41	0.0	-65.27	312.27	3.81	-61.46
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CC1CN2CC[N@@H+]1CC2C(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004634750	0	42	0.0	-62.11	304.74	0.92	-61.19
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C[NH+](C)CCSCC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL250004635162	0	39	0.0	-71.24	319.05	3.85	-67.39
C[NH+](C)CCSCC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635162	1	39	0.0	-71.31	319.11	3.84	-67.47
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CC1=[NH+]C=C2C=CC(C(=O)NC3(C4=NN=N[N-]4)CCC3)=CN21	REAL250004635178	0	37	0.0	-61.58	303.78	5.21	-56.37
CC[N@@H+]1CCOCC1CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635186	1	43	0.0	-64.61	315.85	2.25	-62.36
CC[N@H+]1CCOCC1CC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL250004635186	1	43	0.0	-64.61	320.16	2.42	-62.19
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CC[N@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL250004635468	1	42	0.0	-61.00	314.60	4.18	-56.82
CC[N@@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL250004635468	1	42	0.0	-51.99	307.91	4.42	-47.57
CC[N@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL250004635468	1	42	0.0	-61.04	314.54	4.18	-56.86
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CC[NH+](CC)CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635643	0	44	0.0	-63.40	325.19	5.28	-58.12
CC(C)[N@H+](C)CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635648	0	44	0.0	-53.71	323.62	5.13	-48.58
CC(C)[N@@H+](C)CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635648	1	44	0.0	-62.60	323.63	5.11	-57.49
CC(C)(C)[NH2+]CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635657	0	44	0.0	-63.86	328.17	3.65	-60.21
C[NH+](C)CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635681	1	38	0.0	-66.09	289.21	3.93	-62.16
C[NH+](C)CCCCC(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004635687	0	47	0.0	-70.21	354.51	6.10	-64.11
C[NH+](C)CCCCC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635687	1	47	0.0	-70.20	354.58	6.12	-64.08
CC(C)C(C(=O)N1CCC(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004635689	0	47	0.0	-54.84	328.60	5.42	-49.42
CCC[N@H+](C)CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635694	0	44	0.0	-65.41	328.44	5.33	-60.08
CCC[N@@H+](C)CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635694	1	44	0.0	-56.07	328.44	5.34	-50.73
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C[N@H+]1CCCCC1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635709	1	45	0.0	-54.70	321.62	5.14	-49.56
C[N@@H+]1CCCC1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635722	0	42	0.0	-63.20	307.73	4.47	-58.73
C[N@H+]1CCCC1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635722	1	42	0.0	-53.44	311.10	4.77	-48.67
C[NH+]1CCC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL250004635739	0	45	0.0	-60.75	333.50	5.49	-55.26
C[NH+]1CCC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL250004635739	1	45	0.0	-60.74	333.56	5.50	-55.24
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635760	0	45	0.0	-52.67	329.58	5.51	-47.16
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635760	1	45	0.0	-55.03	321.86	5.15	-49.88
C[NH+](C)C1(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)CCC1	REAL250004635794	0	45	0.0	-53.21	313.53	4.81	-48.40
CC(C)[C@@H](C(=O)N1CCC(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004635807	0	47	0.0	-54.90	329.35	5.38	-49.52
O=C(C[NH+]1CCCC1)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635846	0	42	0.0	-54.98	313.37	5.04	-49.94
CC[N@H+](CC(=O)N1CCC(CC2=NN=N[N-]2)CC1)C1CC1	REAL250004635853	0	45	0.0	-61.17	337.80	5.96	-55.21
CC[N@@H+](CC(=O)N1CCC(CC2=NN=N[N-]2)CC1)C1CC1	REAL250004635853	1	45	0.0	-53.23	335.52	5.93	-47.30
CCC(C(=O)N1CCC(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004635862	0	44	0.0	-53.63	316.74	4.82	-48.81
CCCC(C(=O)N1CCC(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004635865	0	47	0.0	-54.69	340.43	5.72	-48.97
C=C(C[NH+](C)C)C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004635938	0	42	0.0	-58.78	318.47	5.13	-53.65
C=C(C[NH+](C)C)C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004635938	1	42	0.0	-58.81	318.53	5.15	-53.66
CC1=[NH+]C=CN1CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636056	1	40	0.0	-53.58	317.61	5.50	-48.08
C[NH+](C)C1(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL250004636058	0	42	0.0	-54.25	308.23	4.39	-49.86
C[N@H+](CC(=O)N1CCC(CC2=NN=N[N-]2)CC1)C1CCC1	REAL250004636145	0	45	0.0	-53.88	335.30	5.91	-47.97
C[N@@H+](CC(=O)N1CCC(CC2=NN=N[N-]2)CC1)C1CCC1	REAL250004636145	1	45	0.0	-54.11	335.42	5.92	-48.19
C[C@@H]1[C@H](C(=O)N2CCC(CC3=N[N-]N=N3)CC2)CC[N@@H+]1C	REAL250004636189	0	45	0.0	-59.10	324.38	5.41	-53.69
C[C@@H]1[C@H](C(=O)N2CCC(CC3=N[N-]N=N3)CC2)CC[N@H+]1C	REAL250004636189	1	45	0.0	-69.75	331.03	5.13	-64.62
C[C@@H]1[C@H](C(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC[N@@H+]1C	REAL250004636189	1	45	0.0	-59.13	324.44	5.43	-53.70
C[C@@H]1[C@H](C(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC[N@H+]1C	REAL250004636189	1	45	0.0	-69.80	331.09	5.15	-64.65
C[NH+](C)CC1(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL250004636228	0	45	0.0	-55.89	337.07	5.46	-50.43
C[NH+](C)CC1(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL250004636228	1	45	0.0	-55.91	337.13	5.47	-50.44
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636239	0	42	0.0	-53.40	311.36	4.77	-48.63
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636239	1	42	0.0	-53.89	307.49	4.47	-49.42
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636240	0	42	0.0	-53.89	307.60	4.47	-49.42
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636240	1	42	0.0	-53.24	310.66	4.71	-48.53
C[C@H](C(=O)N1CCC(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004636241	0	41	0.0	-54.35	305.07	4.30	-50.05
O=C(N1CCC(CC2=N[N-]N=N2)CC1)C12CC[NH+](CC1)C2	REAL250004636243	0	43	0.0	-59.42	313.34	4.18	-55.24
O=C(N1CCC(CC2=NN=N[N-]2)CC1)C12CC[NH+](CC1)C2	REAL250004636243	1	43	0.0	-59.42	313.40	4.19	-55.23
CC1=C[NH+]=CN1CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636250	1	40	0.0	-55.99	318.96	6.27	-49.72
C[C@@H](C(=O)N1CCC(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004636263	0	41	0.0	-54.52	305.90	4.33	-50.19
C=C(CC[NH+](C)C)C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636268	0	45	0.0	-58.57	347.41	5.63	-52.94
C=C(CC[NH+](C)C)C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636268	1	45	0.0	-58.60	347.47	5.65	-52.95
C[NH+]1CCC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL250004636279	0	45	0.0	-60.75	333.50	5.49	-55.26
C[NH+]1CCC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL250004636279	1	45	0.0	-60.74	333.56	5.50	-55.24
CC[C@@H](C(=O)N1CCC(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004636282	0	44	0.0	-54.70	319.71	4.99	-49.71
CC[C@H](C(=O)N1CCC(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004636283	0	44	0.0	-54.21	319.37	4.97	-49.24
C[N@@H+]1CCCCC1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636309	0	45	0.0	-54.06	318.63	5.04	-49.02
C[N@H+]1CCCCC1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636309	1	45	0.0	-54.70	321.62	5.14	-49.56
CC(CC[NH+](C)C)C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636333	0	47	0.0	-60.25	348.00	5.61	-54.64
CC(CC[NH+](C)C)C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636333	1	47	0.0	-60.27	348.06	5.63	-54.64
CC(C)(C)[NH2+]CCC(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636364	0	47	0.0	-70.73	349.66	4.26	-66.47
CC(C)(C)[NH2+]CCC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636364	1	47	0.0	-70.77	349.72	4.28	-66.49
C[NH+](C)CC(O)CC(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636373	0	45	0.0	-72.96	341.63	2.97	-69.99
C[NH+](C)CC(O)CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636373	1	45	0.0	-72.99	341.69	2.99	-70.00
CC(C[NH+](C)C)C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636374	0	44	0.0	-58.74	325.10	4.95	-53.79
CC(C[NH+](C)C)C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636374	1	44	0.0	-58.75	325.16	4.97	-53.78
C[NH+](C)CC=CC(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL250004636375	0	42	0.0	-62.31	324.03	5.14	-57.17
C[NH+](C)CC=CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL250004636375	1	42	0.0	-62.31	324.10	5.16	-57.15
C=CCC(C(=O)N1CCC(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004636397	0	45	0.0	-53.45	329.50	5.37	-48.08
C[N@@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL250004636400	0	45	0.0	-58.85	324.01	5.56	-53.29
C[N@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL250004636400	1	45	0.0	-54.75	325.35	5.60	-49.15
C[N@@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL250004636400	1	45	0.0	-58.85	324.07	5.58	-53.27
C[N@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL250004636400	1	45	0.0	-54.80	325.41	5.61	-49.19
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL250004636598	0	45	0.0	-58.53	338.06	5.65	-52.88
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL250004636598	1	45	0.0	-58.52	338.12	5.66	-52.86
C[N@@H+]1CCCC2C1CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004636624	0	42	0.0	-72.99	318.82	4.88	-68.11
C[N@H+]1CCCC2C1CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004636624	1	42	0.0	-73.03	318.82	4.88	-68.15
C[N@@H+]1CCCC2C1CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004636624	1	42	0.0	-73.01	318.88	4.89	-68.12
C[N@H+]1CCCC2C1CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004636624	1	42	0.0	-73.03	318.88	4.89	-68.14
CCOC(CNC(=O)CCCC1=N[N-]N=N1)C[NH+](C)C	REAL250004636710	0	44	0.0	-71.18	348.28	2.72	-68.46
CCOC(CNC(=O)CCCC1=NN=N[N-]1)C[NH+](C)C	REAL250004636710	1	44	0.0	-71.24	348.33	2.74	-68.50
CCC1=[NH+]C=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004636747	1	39	0.0	-65.68	321.36	3.80	-61.88
CCC1=[NH+]C=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004636747	1	39	0.0	-65.72	321.42	3.81	-61.91
C[NH+](C)CCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004636749	0	44	0.0	-75.52	342.49	5.51	-70.01
C[NH+](C)CCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004636749	1	44	0.0	-75.54	342.55	5.53	-70.01
C[NH+]1CC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL250004636756	1	44	0.0	-74.70	338.74	2.73	-71.97
C#CC[N@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004636772	1	40	0.0	-72.31	325.47	4.18	-68.13
C#CC[N@@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004636772	1	40	0.0	-73.43	321.44	4.73	-68.70
CC[NH+](CC)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636963	0	44	0.0	-61.29	320.80	4.98	-56.31
CC(C)[N@H+](C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636968	0	44	0.0	-61.00	323.60	5.09	-55.91
CC(C)[N@@H+](C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636968	1	44	0.0	-60.46	323.60	5.09	-55.37
CC(C)(C)[NH2+]CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004636977	0	44	0.0	-61.95	328.10	3.62	-58.33
CC(C)(C)[NH2+]CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004636977	1	44	0.0	-61.96	328.16	3.63	-58.33
C[NH+](C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637001	1	38	0.0	-64.14	289.21	3.91	-60.23
C[NH+](C)CCCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637007	0	47	0.0	-68.47	354.58	6.07	-62.40
C[NH+](C)CCCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637007	1	47	0.0	-68.45	354.64	6.08	-62.37
CC(C)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004637009	0	47	0.0	-61.75	330.42	5.32	-56.43
CCC[N@H+](C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637014	0	44	0.0	-63.39	328.40	5.31	-58.08
CCC[N@@H+](C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637014	1	44	0.0	-63.33	328.41	5.30	-58.03
C[N@@H+]1CCCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637029	0	45	0.0	-65.05	321.81	5.12	-59.93
C[N@H+]1CCCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637029	1	45	0.0	-65.07	321.82	5.11	-59.96
C[N@@H+]1CCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637042	0	42	0.0	-63.68	307.77	4.45	-59.23
C[N@H+]1CCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637042	1	42	0.0	-60.84	308.91	4.65	-56.19
C[NH+]1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637059	0	45	0.0	-69.45	333.49	5.47	-63.98
C[NH+]1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637059	1	45	0.0	-69.42	333.56	5.48	-63.94
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637080	0	45	0.0	-60.93	328.86	5.44	-55.49
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637080	1	45	0.0	-59.61	318.56	4.96	-54.65
C[NH+](C)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004637114	0	45	0.0	-61.61	314.12	4.76	-56.85
CC(C)[C@@H](C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004637127	0	47	0.0	-64.41	329.51	5.34	-59.07
O=C(C[NH+]1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637166	0	42	0.0	-62.40	313.37	5.02	-57.38
CC[N@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004637173	0	45	0.0	-59.21	337.87	5.94	-53.27
CC[N@@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004637173	1	45	0.0	-60.64	335.64	5.91	-54.73
CCC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004637182	0	44	0.0	-60.91	317.32	4.82	-56.09
CCCC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004637185	0	47	0.0	-61.89	338.82	5.60	-56.29
C=C(C[NH+](C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637258	0	42	0.0	-74.23	319.84	4.91	-69.32
C=C(C[NH+](C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637258	1	42	0.0	-74.21	319.90	4.91	-69.30
CC1=[NH+]C=CN1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637376	1	40	0.0	-61.68	318.05	5.46	-56.22
CC1=[NH+]C=CN1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637376	1	40	0.0	-61.71	318.11	5.47	-56.24
C[NH+](C)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637378	0	42	0.0	-66.03	311.84	4.41	-61.62
C[N@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCC1	REAL250004637465	0	45	0.0	-61.03	335.31	5.89	-55.14
C[N@@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCC1	REAL250004637465	1	45	0.0	-60.52	335.32	5.88	-54.64
C[C@@H]1[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC[N@@H+]1C	REAL250004637509	0	45	0.0	-69.79	324.92	4.86	-64.93
C[C@@H]1[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC[N@H+]1C	REAL250004637509	1	45	0.0	-65.98	330.50	5.18	-60.80
C[C@@H]1[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC[N@@H+]1C	REAL250004637509	1	45	0.0	-69.84	324.98	4.88	-64.96
C[C@@H]1[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC[N@H+]1C	REAL250004637509	1	45	0.0	-66.02	330.56	5.18	-60.84
C[NH+](C)CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637548	0	45	0.0	-59.02	337.56	5.50	-53.52
C[NH+](C)CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637548	1	45	0.0	-58.99	337.62	5.52	-53.47
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637559	0	42	0.0	-59.96	311.38	4.76	-55.20
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637559	1	42	0.0	-63.81	307.82	4.44	-59.37
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637560	0	42	0.0	-63.68	307.76	4.45	-59.23
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637560	1	42	0.0	-60.03	311.30	4.75	-55.28
C[C@H](C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004637561	0	41	0.0	-60.93	305.78	4.29	-56.64
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CC[NH+](CC1)C2	REAL250004637563	0	43	0.0	-67.17	313.33	4.15	-63.02
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CC[NH+](CC1)C2	REAL250004637563	1	43	0.0	-67.19	313.39	4.17	-63.02
CC1=C[NH+]=CN1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637570	1	40	0.0	-63.72	318.44	6.20	-57.52
CC1=C[NH+]=CN1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637570	1	40	0.0	-63.72	318.37	6.19	-57.53
C[C@@H](C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004637583	0	41	0.0	-60.94	305.61	4.29	-56.65
C=C(CC[NH+](C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637588	0	45	0.0	-67.47	347.69	5.62	-61.85
C=C(CC[NH+](C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637588	1	45	0.0	-67.50	347.75	5.63	-61.87
C[NH+]1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL250004637599	0	45	0.0	-69.45	333.49	5.47	-63.98
C[NH+]1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL250004637599	1	45	0.0	-69.42	333.56	5.48	-63.94
CC[C@@H](C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004637602	0	44	0.0	-59.88	316.85	4.90	-54.98
CC[C@H](C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004637603	0	44	0.0	-63.03	318.70	4.93	-58.10
C[N@@H+]1CCCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637629	0	45	0.0	-65.05	321.81	5.12	-59.93
C[N@H+]1CCCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637629	1	45	0.0	-65.07	321.82	5.11	-59.96
CC[N@@H+]1CCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637651	1	42	0.0	-62.92	319.99	4.81	-58.11
CC[N@H+]1CCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637651	1	42	0.0	-62.92	319.87	4.82	-58.10
CC(CC[NH+](C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637653	0	47	0.0	-65.59	348.50	5.64	-59.95
CC(CC[NH+](C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637653	1	47	0.0	-65.60	348.57	5.65	-59.95
CC(C)(C)[NH2+]CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637684	0	47	0.0	-68.39	349.65	4.26	-64.13
CC(C)(C)[NH2+]CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637684	1	47	0.0	-68.39	349.72	4.26	-64.13
C[NH+](C)CC(O)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637693	0	45	0.0	-70.95	341.69	2.96	-67.99
C[NH+](C)CC(O)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637693	1	45	0.0	-70.93	341.75	2.97	-67.96
CC(C[NH+](C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637694	0	44	0.0	-64.95	326.85	5.00	-59.95
CC(C[NH+](C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637694	1	44	0.0	-64.96	326.91	5.02	-59.94
C[NH+](C)CC=CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL250004637695	0	42	0.0	-76.04	325.84	5.18	-70.86
C[NH+](C)CC=CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL250004637695	1	42	0.0	-76.04	325.90	5.18	-70.86
C=CCC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004637717	0	45	0.0	-59.66	330.53	5.30	-54.36
C[N@@H+]1CCCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637720	0	45	0.0	-68.38	333.59	5.44	-62.94
C[N@H+]1CCCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637720	1	45	0.0	-63.86	325.39	5.60	-58.26
C[N@@H+]1CCCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637720	1	45	0.0	-68.39	333.65	5.45	-62.94
C[N@H+]1CCCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637720	1	45	0.0	-63.89	325.45	5.60	-58.29
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL250004637918	0	45	0.0	-63.94	338.14	5.62	-58.32
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL250004637918	1	45	0.0	-63.98	338.20	5.64	-58.34
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004637932	0	42	0.0	-63.34	309.71	5.69	-57.65
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004637932	1	42	0.0	-68.50	309.66	5.75	-62.75
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004637932	1	42	0.0	-63.32	309.77	5.71	-57.61
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004637932	1	42	0.0	-68.50	309.71	5.77	-62.73
C[N@@H+]1CC(O)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004637938	0	39	0.0	-72.82	307.42	-0.90	-73.72
C[N@H+]1CC(O)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004637938	1	39	0.0	-68.25	307.17	-0.92	-69.17
C[N@@H+]1CC(O)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004637938	1	39	0.0	-72.83	307.48	-0.88	-73.71
C[N@H+]1CC(O)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004637938	1	39	0.0	-68.23	307.23	-0.91	-69.14
C[N@H+](CCO)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004637939	0	38	0.0	-70.07	305.21	-0.80	-70.87
C[N@@H+](CCO)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004637939	1	38	0.0	-69.88	305.19	-0.82	-70.70
C[N@H+](CCO)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004637939	1	38	0.0	-70.05	305.27	-0.78	-70.83
C[N@@H+](CCO)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004637939	1	38	0.0	-69.90	305.25	-0.81	-70.71
C[N@H+](CCO)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004637940	0	38	0.0	-59.49	315.80	-1.00	-60.49
C[N@@H+](CCO)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004637940	1	38	0.0	-59.11	315.75	-1.01	-60.12
C[N@H+](CCO)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004637940	1	38	0.0	-59.43	315.87	-0.99	-60.42
C[N@@H+](CCO)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004637940	1	38	0.0	-59.06	315.82	-1.00	-60.06
O=C(CCCC1=N[N-]N=N1)N1CC([NH2+]C2CCOCC2)C1	REAL250004637957	0	43	0.0	-82.13	336.80	1.83	-80.30
O=C(CCCC1=NN=N[N-]1)N1CC([NH2+]C2CCOCC2)C1	REAL250004637957	1	43	0.0	-82.13	336.85	1.85	-80.28
CN(C)C1=CC=[NH+]C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004637979	0	40	0.0	-63.35	328.65	2.45	-60.90
CN(C)C1=CC=[NH+]C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004637979	1	40	0.0	-63.39	328.71	2.47	-60.92
C#CC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004638037	0	40	0.0	-71.20	325.49	4.21	-66.99
CC1C(NC(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1C	REAL250004638041	0	38	0.0	-69.87	297.38	2.55	-67.32
CC1C(NC(=O)CCCC2=N[N-]N=N2)CC[N@H+]1C	REAL250004638041	1	38	0.0	-71.15	291.55	2.93	-68.22
CC1C(NC(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1C	REAL250004638041	1	38	0.0	-69.87	297.44	2.56	-67.31
CC1C(NC(=O)CCCC2=NN=N[N-]2)CC[N@H+]1C	REAL250004638041	1	38	0.0	-71.17	291.60	2.95	-68.22
CC1C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1C	REAL250004638042	0	38	0.0	-58.95	308.43	3.12	-55.83
CC1C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1C	REAL250004638042	1	38	0.0	-59.02	308.36	2.89	-56.13
CC1C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1C	REAL250004638042	1	38	0.0	-58.99	308.36	3.11	-55.88
CC1C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1C	REAL250004638042	1	38	0.0	-59.09	308.29	2.89	-56.20
CC1=[NH+]C(C)=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N1	REAL250004638073	1	36	0.0	-53.15	315.69	1.65	-51.50
C[N@@H+]1CCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638076	1	38	0.0	-77.05	306.26	5.07	-71.98
C[N@H+]1CCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004638076	1	38	0.0	-76.47	306.71	5.10	-71.37
C[N@@H+]1CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638077	1	35	0.0	-57.49	289.40	2.21	-55.28
C[N@H+]1CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004638077	1	35	0.0	-57.56	288.92	2.29	-55.27
CC1=CC=C(NCCNC(=O)CCCC2=NN=N[N-]2)[NH+]=C1	REAL250004638131	1	40	0.0	-65.65	333.68	2.63	-63.02
CC1=CC=CC(NCCNC(=O)CCCC2=N[N-]N=N2)=[NH+]1	REAL250004638132	1	40	0.0	-64.33	333.56	2.56	-61.77
CC1=CC=CC(NCCNC(=O)CCCC2=NN=N[N-]2)=[NH+]1	REAL250004638132	1	40	0.0	-64.35	333.62	2.57	-61.78
CC[N@@H+]1CCC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004638156	0	41	0.0	-70.08	317.91	3.64	-66.44
CC[N@H+]1CCC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004638156	1	41	0.0	-71.96	313.88	4.18	-67.78
CC[N@@H+]1CCC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004638156	1	41	0.0	-70.12	317.97	3.65	-66.47
CC[N@H+]1CCC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004638156	1	41	0.0	-71.99	313.93	4.20	-67.79
C[N@@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004638159	0	41	0.0	-67.58	317.82	3.71	-63.87
C[N@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004638159	1	41	0.0	-67.55	317.83	3.71	-63.84
C[N@@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004638159	1	41	0.0	-67.61	317.87	3.73	-63.88
C[N@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004638159	1	41	0.0	-67.59	317.89	3.73	-63.86
CCC1=[NH+]C=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004638161	1	39	0.0	-65.68	321.36	3.80	-61.88
CCC1=[NH+]C=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004638161	1	39	0.0	-65.72	321.42	3.81	-61.91
C#CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](C)CC1	REAL250004638168	0	43	0.0	-70.91	338.35	6.11	-64.80
C#CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](C)CC1	REAL250004638168	1	43	0.0	-70.88	338.41	6.12	-64.76
CC(C)CC1C[N@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638170	0	47	0.0	-76.27	340.41	5.41	-70.86
CC(C)CC1C[N@@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004638170	1	47	0.0	-75.90	349.14	6.47	-69.43
CC(C)CC1C[N@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638170	1	47	0.0	-76.26	340.46	5.42	-70.84
CC(C)CC1C[N@@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004638170	1	47	0.0	-75.94	349.20	6.49	-69.45
CC[N@@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004638195	0	44	0.0	-64.90	337.43	4.26	-60.64
CC[N@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004638195	1	44	0.0	-66.84	337.44	4.45	-62.39
CC[N@@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004638195	1	44	0.0	-64.88	337.48	4.28	-60.60
CC[N@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004638195	1	44	0.0	-66.85	337.50	4.46	-62.39
O=C(CCCC1=N[N-]N=N1)N1CC([NH2+]C2CCOC2)C1	REAL250004638220	0	40	0.0	-81.94	318.90	1.08	-80.86
O=C(CCCC1=NN=N[N-]1)N1CC([NH2+]C2CCOC2)C1	REAL250004638220	1	40	0.0	-81.92	318.96	1.09	-80.83
O=C(CCCC1=NN=N[N-]1)N1CC([NH2+]C2COC2)C1	REAL250004638294	1	37	0.0	-83.75	305.74	0.50	-83.25
C[N@@H+]1C[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@]2(C)C1	REAL250004638297	0	42	0.0	-77.88	322.75	4.66	-73.22
C[N@H+]1C[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@]2(C)C1	REAL250004638297	1	42	0.0	-77.61	323.90	4.70	-72.91
C[N@@H+]1C[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@]2(C)C1	REAL250004638297	1	42	0.0	-77.89	322.81	4.68	-73.21
C[N@H+]1C[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@]2(C)C1	REAL250004638297	1	42	0.0	-77.63	323.96	4.71	-72.92
C[N@@H+]1CC2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2C1	REAL250004638400	0	45	0.0	-76.54	339.25	4.74	-71.80
C[N@H+]1CC2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2C1	REAL250004638400	1	45	0.0	-76.66	339.36	4.75	-71.91
C[N@@H+]1CC2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2C1	REAL250004638400	1	45	0.0	-76.56	339.31	4.76	-71.80
C[N@H+]1CC2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2C1	REAL250004638400	1	45	0.0	-76.68	339.42	4.76	-71.92
O=C(CCCC1=N[N-]N=N1)NCC1C[NH+]2CCC1CC2	REAL250004638425	0	42	0.0	-72.57	318.14	3.73	-68.84
O=C(CCCC1=NN=N[N-]1)NCC1C[NH+]2CCC1CC2	REAL250004638425	1	42	0.0	-72.61	318.20	3.74	-68.87
C[NH+](C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL250004638479	1	32	0.0	-47.90	278.49	4.41	-43.49
C[C@H](C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL250004638551	1	35	0.0	-48.23	295.66	4.79	-43.44
C[C@@H](C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL250004638553	1	35	0.0	-44.51	296.48	4.83	-39.68
C[N@@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004638647	0	41	0.0	-68.63	313.44	3.90	-64.73
C[N@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004638647	1	41	0.0	-67.79	313.39	3.92	-63.87
C[N@@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004638647	1	41	0.0	-68.68	313.49	3.92	-64.76
C[N@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004638647	1	41	0.0	-67.84	313.45	3.93	-63.91
CC[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004638668	0	44	0.0	-69.24	321.67	5.13	-64.11
CC[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004638668	1	44	0.0	-69.24	321.60	5.12	-64.12
CC[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004638668	1	44	0.0	-69.25	321.73	5.14	-64.11
CC[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004638668	1	44	0.0	-69.24	321.66	5.15	-64.09
CN(CC(C)(C)C[NH+](C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004638724	0	46	0.0	-67.23	333.53	5.65	-61.58
CN(CC(C)(C)C[NH+](C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004638724	1	46	0.0	-67.24	333.58	5.67	-61.57
O=C(CCCC1=N[N-]N=N1)N1CCC([NH2+]C2CCC2)CC1	REAL250004638728	0	45	0.0	-75.82	338.87	4.51	-71.31
O=C(CCCC1=NN=N[N-]1)N1CCC([NH2+]C2CCC2)CC1	REAL250004638728	1	45	0.0	-75.83	338.93	4.53	-71.30
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004638733	0	46	0.0	-65.20	353.61	4.87	-60.33
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004638733	1	46	0.0	-65.22	353.67	4.88	-60.34
CC1(C)CC[N@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004638815	0	44	0.0	-69.09	342.54	4.02	-65.07
CC1(C)CC[N@@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004638815	1	44	0.0	-69.11	343.07	4.03	-65.08
CC1(C)CC[N@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004638815	1	44	0.0	-69.08	342.60	4.04	-65.04
CC1(C)CC[N@@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004638815	1	44	0.0	-69.14	343.13	4.05	-65.09
CCC(C)[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004638875	0	47	0.0	-66.72	349.06	4.73	-61.99
CCC(C)[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004638875	1	47	0.0	-66.71	349.12	4.74	-61.97
O=C(CCCC[NH+]1CCCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639273	0	45	0.0	-69.26	346.16	5.72	-63.54
O=C(CCCC[NH+]1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639273	1	45	0.0	-69.26	346.22	5.75	-63.51
CC[NH+](CC)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639289	0	38	0.0	-56.51	291.30	3.76	-52.75
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639296	0	41	0.0	-72.46	320.29	4.98	-67.48
CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639299	0	38	0.0	-55.39	289.29	3.59	-51.80
CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639299	1	38	0.0	-56.21	289.30	3.60	-52.61
CC(C)(C)[NH2+]CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639319	0	38	0.0	-56.15	293.80	2.10	-54.05
CC(C)(C)[NH2+]CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639319	1	38	0.0	-56.14	293.85	2.12	-54.02
O=C(CC[NH+]1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639323	1	40	0.0	-65.83	310.14	2.45	-63.38
CC1=[NH+]C=CN1CCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639343	1	40	0.0	-63.82	325.83	5.31	-58.51
CC1=[NH+]C=CN1CCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639343	1	40	0.0	-63.82	325.89	5.32	-58.50
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)[NH+]1C(C)CCC1C	REAL250004639346	0	45	0.0	-55.12	323.11	4.65	-50.47
C[NH+](C)CCCCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639378	0	41	0.0	-71.12	320.18	4.54	-66.58
C[NH+](C)CCCCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639378	1	41	0.0	-71.16	320.24	4.56	-66.60
CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639380	0	47	0.0	-59.37	358.58	6.16	-53.21
CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639380	1	47	0.0	-59.10	358.58	6.15	-52.95
CCC[N@H+](C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639391	0	38	0.0	-58.32	294.08	3.82	-54.50
CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639391	1	38	0.0	-58.03	294.09	3.81	-54.22
CC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)N1CC[NH+](C)CC1	REAL250004639398	1	44	0.0	-64.71	322.12	1.94	-62.77
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)[NH+]1CCCCCC1	REAL250004639424	0	45	0.0	-55.30	322.50	4.83	-50.47
CC[N@@H+]1CCOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639439	1	40	0.0	-72.28	305.52	3.30	-68.98
CC[N@H+]1CCOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004639439	1	40	0.0	-54.39	298.57	3.11	-51.28
C[N@@H+]1CCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639466	0	36	0.0	-54.49	273.50	2.91	-51.58
C[N@H+]1CCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639466	1	36	0.0	-56.29	280.61	3.30	-52.99
CC1CCC(C)[NH+]1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639485	0	42	0.0	-55.95	311.81	4.41	-51.54
C[NH+]1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004639499	0	39	0.0	-73.37	299.32	3.92	-69.45
C[NH+]1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639499	1	39	0.0	-73.34	299.38	3.93	-69.41
CCC(C(=O)N1CCC[C@H]1C1=N[N-]N=N1)[NH+](CC)CC	REAL250004639505	0	44	0.0	-54.10	318.63	4.63	-49.47
CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)[NH+](CC)CC	REAL250004639505	1	44	0.0	-54.16	318.69	4.66	-49.50
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639547	0	39	0.0	-58.73	295.43	3.98	-54.75
C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639547	1	39	0.0	-60.78	283.70	3.48	-57.30
CC1CC[NH+](CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004639602	0	42	0.0	-59.01	317.44	4.88	-54.13
O=C(C[NH+]1CCCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639678	0	36	0.0	-58.06	279.14	3.51	-54.55
CC(C[NH+]1CCOCC1)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639680	1	43	0.0	-65.02	326.47	2.98	-62.04
C[N@H+](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCSC1	REAL250004639694	0	40	0.0	-60.33	314.36	4.64	-55.69
C[N@@H+](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCSC1	REAL250004639694	1	40	0.0	-61.74	314.13	4.65	-57.09
CC[N@H+](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC1	REAL250004639706	0	39	0.0	-54.52	304.39	4.44	-50.08
CC[N@@H+](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CC1	REAL250004639706	1	39	0.0	-56.31	301.67	4.43	-51.88
CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)[NH+](C)C	REAL250004639726	0	38	0.0	-57.48	282.55	3.27	-54.21
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639736	1	34	0.0	-72.75	290.30	5.84	-66.91
CC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)[NH+]1CCSCC1	REAL250004639737	1	40	0.0	-59.87	305.94	4.04	-55.83
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639752	0	44	0.0	-56.70	314.18	3.12	-53.58
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639752	1	44	0.0	-56.67	314.24	3.14	-53.53
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL250004639771	1	37	0.0	-74.81	306.29	5.99	-68.82
C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004639900	0	36	0.0	-71.60	285.97	3.42	-68.18
C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004639900	1	36	0.0	-71.63	286.03	3.43	-68.20
O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640000	0	43	0.0	-67.89	324.36	5.16	-62.73
O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640000	1	43	0.0	-67.93	324.41	5.19	-62.74
CC(C)[N@@H+]1CCOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640076	1	43	0.0	-70.47	322.26	3.81	-66.66
CC(C)[N@H+]1CCOC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640076	1	43	0.0	-74.19	323.09	3.87	-70.32
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640126	1	34	0.0	-44.46	274.21	4.94	-39.52
CC1=[NH+]C=CN1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640133	1	34	0.0	-55.66	284.21	3.98	-51.68
CC1=[NH+]C=CN1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640133	1	34	0.0	-55.66	284.27	4.00	-51.66
CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640288	0	45	0.0	-70.12	333.65	5.10	-65.02
CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640288	1	45	0.0	-70.15	333.70	5.12	-65.03
C[N@H+](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCC1	REAL250004640308	0	39	0.0	-55.20	301.09	4.38	-50.82
C[N@@H+](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCC1	REAL250004640308	1	39	0.0	-56.08	301.12	4.38	-51.70
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC[N@@H+]1C	REAL250004640394	0	42	0.0	-69.75	312.41	4.01	-65.74
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC[N@H+]1C	REAL250004640394	1	42	0.0	-64.45	315.71	4.44	-60.01
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC[N@@H+]1C	REAL250004640394	1	42	0.0	-69.76	312.36	4.00	-65.76
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC[N@H+]1C	REAL250004640394	1	42	0.0	-64.45	315.66	4.42	-60.03
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC[N@@H+]1C	REAL250004640401	0	39	0.0	-69.51	291.81	3.68	-65.83
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC[N@H+]1C	REAL250004640401	1	39	0.0	-70.98	297.28	3.63	-67.35
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC[N@@H+]1C	REAL250004640401	1	39	0.0	-69.54	291.75	3.66	-65.88
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC[N@H+]1C	REAL250004640401	1	39	0.0	-71.00	297.22	3.61	-67.39
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640431	0	42	0.0	-59.80	294.63	3.45	-56.35
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640431	1	42	0.0	-55.89	297.46	3.34	-52.55
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL250004640446	0	40	0.0	-76.58	287.56	3.28	-73.30
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL250004640446	1	40	0.0	-72.62	287.46	3.23	-69.39
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL250004640446	1	40	0.0	-76.60	287.50	3.26	-73.34
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C12CC[N@@H+](C1)CCC2	REAL250004640446	1	40	0.0	-72.61	287.40	3.22	-69.39
C[NH+](C)CC1(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640496	0	39	0.0	-58.10	301.62	3.87	-54.23
C[NH+](C)CC1(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640496	1	39	0.0	-58.07	301.68	3.89	-54.18
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640521	1	40	0.0	-55.85	320.54	5.13	-50.72
O=C(C1C[NH+](C2CCOC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640522	1	41	0.0	-62.87	320.06	2.72	-60.15
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640526	0	36	0.0	-58.89	276.24	3.17	-55.72
C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640526	1	36	0.0	-62.46	273.44	2.90	-59.56
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640527	0	36	0.0	-54.50	273.50	2.90	-51.60
C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640527	1	36	0.0	-54.06	280.59	3.27	-50.79
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C12CC[NH+](CC1)C2	REAL250004640529	0	37	0.0	-70.40	278.53	2.57	-67.83
O=C(N1CCC[C@H]1C1=N[N-]N=N1)C12CC[NH+](CC1)C2	REAL250004640529	1	37	0.0	-70.37	278.48	2.55	-67.82
O=C(C1CCC2CCCC[N@@H+]21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640535	0	43	0.0	-59.96	314.96	4.84	-55.12
O=C(C1CCC2CCCC[N@H+]21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640535	1	43	0.0	-56.14	320.61	5.19	-50.95
CC1=C[NH+]=CN1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640551	1	34	0.0	-61.99	284.62	4.75	-57.24
CC1=C[NH+]=CN1CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640551	1	34	0.0	-61.97	284.56	4.72	-57.25
O=C(C1CCCC2CCC[N@@H+]21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640577	0	43	0.0	-59.66	307.57	4.56	-55.10
O=C(C1CCCC2CCC[N@H+]21)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640577	1	43	0.0	-58.45	310.93	4.83	-53.62
CC1C[N@H+](C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640578	1	40	0.0	-54.07	301.90	3.21	-50.86
CC1C[N@@H+](C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640578	1	40	0.0	-73.83	302.21	3.37	-70.46
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640580	0	42	0.0	-71.04	318.63	4.74	-66.30
C[N@H+]1CCCC1CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640580	1	42	0.0	-67.88	318.37	4.76	-63.12
C[N@@H+]1CCCC1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640580	1	42	0.0	-71.04	318.68	4.76	-66.28
C[N@H+]1CCCC1CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640580	1	42	0.0	-67.91	318.43	4.79	-63.12
C[N@H+](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC(C)(C)C	REAL250004640587	0	44	0.0	-57.90	322.64	4.79	-53.11
C[N@@H+](CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)CC(C)(C)C	REAL250004640587	1	44	0.0	-58.08	324.94	4.95	-53.13
C[N@H+](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC(C)(C)C	REAL250004640587	1	44	0.0	-57.93	322.70	4.81	-53.12
C[N@@H+](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)CC(C)(C)C	REAL250004640587	1	44	0.0	-58.12	325.00	4.98	-53.14
C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640592	0	39	0.0	-71.21	291.18	3.55	-67.66
C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640592	1	39	0.0	-71.25	291.24	3.57	-67.68
C[NH+]1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640629	0	39	0.0	-73.37	299.32	3.92	-69.45
C[NH+]1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640629	1	39	0.0	-73.34	299.38	3.93	-69.41
CC[C@@H](C(=O)N1CCC[C@H]1C1=NN=N[N-]1)[NH+](C)C	REAL250004640635	0	38	0.0	-57.31	281.82	3.28	-54.03
CC[C@H](C(=O)N1CCC[C@H]1C1=NN=N[N-]1)[NH+](C)C	REAL250004640637	0	38	0.0	-55.26	284.24	3.46	-51.80
CN1CC[N@H+](C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640638	0	44	0.0	-60.30	325.61	2.30	-58.00
CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640638	1	44	0.0	-60.30	320.82	2.17	-58.13
CN1CC[N@H+](C)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640638	1	44	0.0	-60.25	325.55	2.28	-57.97
CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640638	1	44	0.0	-60.27	320.77	2.14	-58.13
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640652	1	38	0.0	-58.36	303.64	2.97	-55.39
C[N@@H+]1CCCC(O)(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640668	0	43	0.0	-54.97	315.72	2.57	-52.40
C[N@H+]1CCCC(O)(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640668	1	43	0.0	-54.44	325.44	2.77	-51.67
C[N@@H+]1CCCC(O)(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640668	1	43	0.0	-54.97	315.78	2.60	-52.37
C[N@H+]1CCCC(O)(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640668	1	43	0.0	-54.46	325.49	2.80	-51.66
C[N@@H+]1CCCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640707	0	39	0.0	-58.79	295.39	3.96	-54.83
C[N@H+]1CCCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640707	1	39	0.0	-60.77	283.64	3.50	-57.27
CC[N@@H+]1CCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640785	1	36	0.0	-58.88	275.78	3.01	-55.87
CC[N@H+]1CCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640785	1	36	0.0	-58.56	277.93	3.00	-55.56
O=C(CC[N@H+]1CCC(F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640791	0	39	0.0	-64.11	309.48	4.24	-59.87
O=C(CC[N@@H+]1CCC(F)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640791	1	39	0.0	-68.16	308.96	4.20	-63.96
C[NH+](C)CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1	REAL250004640794	1	39	0.0	-77.94	316.48	4.28	-73.66
CC(C)[N@@H+]1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640795	0	45	0.0	-52.35	323.24	5.08	-47.27
CC(C)[N@H+]1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640795	1	45	0.0	-63.48	329.41	4.91	-58.57
CC(C)[N@@H+]1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640795	1	45	0.0	-52.28	323.18	5.06	-47.22
CC(C)[N@H+]1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640795	1	45	0.0	-63.43	329.35	4.89	-58.54
CCC[N@@H+]1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640796	0	45	0.0	-52.73	328.10	5.31	-47.42
CCC[N@H+]1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004640796	1	45	0.0	-56.83	327.99	5.14	-51.69
CCC[N@@H+]1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640796	1	45	0.0	-52.74	328.04	5.29	-47.45
CCC[N@H+]1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004640796	1	45	0.0	-56.79	327.93	5.12	-51.67
CC(CC[NH+](C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640797	0	41	0.0	-68.07	311.09	4.02	-64.05
CC(CC[NH+](C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640797	1	41	0.0	-68.07	311.15	4.04	-64.03
C[N@H+](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL250004640826	0	43	0.0	-52.42	325.64	1.80	-50.62
C[N@@H+](CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL250004640826	1	43	0.0	-54.43	325.66	1.79	-52.64
O=C(C[NH+]1CCC(CO)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640840	1	43	0.0	-60.74	328.26	1.57	-59.17
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640845	0	42	0.0	-66.72	304.64	1.03	-65.69
CC1CN2CC[N@H+]1CC2C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640845	1	42	0.0	-75.51	302.10	0.93	-74.58
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640845	1	42	0.0	-66.69	304.59	1.00	-65.69
CC1CN2CC[N@H+]1CC2C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640845	1	42	0.0	-75.48	302.04	0.90	-74.58
CC(C)[N@@H+]1CCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640886	0	42	0.0	-57.01	311.08	4.35	-52.66
CC(C)[N@H+]1CCCC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640886	1	42	0.0	-56.19	309.75	4.34	-51.85
CC(C)(C)[NH2+]CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640893	0	41	0.0	-66.83	315.31	2.72	-64.11
CC(C)(C)[NH2+]CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640893	1	41	0.0	-66.83	315.37	2.74	-64.09
C[NH+]1CCC(OCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004640901	0	43	0.0	-77.08	334.76	4.54	-72.54
C[NH+]1CCC(OCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004640901	1	43	0.0	-77.11	334.81	4.56	-72.55
C[NH+](C)CC(O)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640923	0	39	0.0	-71.51	307.51	1.42	-70.09
C[NH+](C)CC(O)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640923	1	39	0.0	-71.50	307.57	1.45	-70.05
CC(C[NH+](C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640925	0	38	0.0	-63.42	294.45	3.56	-59.86
CC(C[NH+](C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640925	1	38	0.0	-63.46	294.51	3.58	-59.88
C[NH+](C)CC=CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640927	0	36	0.0	-72.66	291.13	3.62	-69.04
C[NH+](C)CC=CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640927	1	36	0.0	-72.67	291.19	3.65	-69.02
C=CCC(C(=O)N1CCC[C@H]1C1=NN=N[N-]1)[NH+](C)C	REAL250004640995	0	39	0.0	-52.13	296.82	3.84	-48.29
C[N@@H+]1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641002	0	39	0.0	-52.02	288.94	3.93	-48.09
C[N@H+]1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641002	1	39	0.0	-66.97	295.07	3.74	-63.23
C[N@@H+]1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641002	1	39	0.0	-52.00	288.89	3.90	-48.10
C[N@H+]1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641002	1	39	0.0	-66.96	295.01	3.71	-63.25
C[N@H+]1CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004641028	0	40	0.0	-64.34	313.98	4.73	-59.61
C[N@@H+]1CC=C(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004641028	1	40	0.0	-61.35	313.99	4.72	-56.63
C[N@H+]1CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004641028	1	40	0.0	-64.33	314.04	4.76	-59.57
C[N@@H+]1CC=C(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004641028	1	40	0.0	-61.34	314.05	4.75	-56.59
O=C(C1CC[N@@H+]2CCOCC12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641085	0	41	0.0	-56.25	306.04	2.69	-53.56
O=C(C1CC[N@H+]2CCOCC12)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641085	1	41	0.0	-63.01	308.69	2.46	-60.55
O=C(C1CC[N@@H+]2CCOCC12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641085	1	41	0.0	-56.19	305.98	2.68	-53.51
O=C(C1CC[N@H+]2CCOCC12)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641085	1	41	0.0	-63.02	308.63	2.43	-60.59
C[NH+](C)CCSCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641257	0	39	0.0	-74.46	321.70	4.36	-70.10
C[NH+](C)CCSCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641257	1	39	0.0	-74.47	321.75	4.38	-70.09
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL250004641259	0	41	0.0	-63.92	315.94	4.97	-58.95
O=C(N1CCC[C@H]1C1=NN=N[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL250004641259	1	41	0.0	-64.13	298.76	5.64	-58.49
CC1=[NH+]C=C2C=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=CN21	REAL250004641273	0	37	0.0	-64.31	311.10	5.53	-58.78
CC[N@@H+]1CCOCC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641281	1	43	0.0	-68.70	318.90	2.75	-65.95
CC[N@H+]1CCOCC1CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641281	1	43	0.0	-63.31	318.34	2.71	-60.60
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641531	0	39	0.0	-64.25	303.93	4.10	-60.15
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641531	1	39	0.0	-64.21	303.99	4.13	-60.08
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL250004641538	0	45	0.0	-52.01	322.80	4.77	-47.24
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL250004641538	1	45	0.0	-51.99	322.85	4.79	-47.20
CC[N@@H+]1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641563	0	42	0.0	-62.89	317.14	4.56	-58.33
CC[N@H+]1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL250004641563	1	42	0.0	-52.02	307.72	4.80	-47.22
CC[N@@H+]1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641563	1	42	0.0	-62.92	317.09	4.55	-58.37
CC[N@H+]1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL250004641563	1	42	0.0	-52.02	307.66	4.78	-47.24
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004641616	0	40	0.0	-76.42	327.82	4.94	-71.48
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004641616	1	40	0.0	-76.44	327.76	4.93	-71.51
CC[NH+](CC)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641921	0	41	0.0	-56.69	309.29	4.39	-52.30
CC(C)[N@H+](C)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641927	0	41	0.0	-56.20	312.12	4.52	-51.68
CC(C)[N@@H+](C)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641927	1	41	0.0	-55.99	312.12	4.52	-51.47
CC(C)(C)[NH2+]CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641939	0	41	0.0	-57.40	316.59	3.02	-54.38
CC(C)(C)[NH2+]CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641939	1	41	0.0	-57.41	316.65	3.03	-54.38
O=C(CC[NH+]1CCOCC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641943	1	43	0.0	-63.69	332.97	3.35	-60.34
C[NH+](C)CCCCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641993	0	44	0.0	-63.91	343.01	5.46	-58.45
C[NH+](C)CCCCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641993	1	44	0.0	-63.98	343.07	5.48	-58.50
CC(C)C(C(=O)N1CCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004641995	0	44	0.0	-58.95	321.19	4.78	-54.17
C[N@@H+]1CCCCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642029	0	42	0.0	-58.68	310.00	4.51	-54.17
C[N@H+]1CCCCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642029	1	42	0.0	-53.76	317.15	4.76	-49.00
CC[N@@H+]1CCOC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004642037	1	43	0.0	-66.64	328.17	4.21	-62.43
CC[N@H+]1CCOC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004642037	1	43	0.0	-66.91	327.80	4.22	-62.69
C[N@@H+]1CCCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642054	0	39	0.0	-57.64	296.32	3.74	-53.90
C[N@H+]1CCCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642054	1	39	0.0	-55.63	299.81	4.14	-51.49
CC1CCC(C)[NH+]1CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642072	0	45	0.0	-54.67	334.84	5.33	-49.34
CCC(C(=O)N1CCC(CC2=N[N-]N=N2)C1)[NH+](CC)CC	REAL250004642089	0	47	0.0	-52.84	338.88	5.40	-47.44
CCC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)[NH+](CC)CC	REAL250004642089	1	47	0.0	-52.87	338.94	5.42	-47.45
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642122	0	42	0.0	-54.31	318.33	4.84	-49.47
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642122	1	42	0.0	-56.42	310.04	4.55	-51.87
C[NH+](C)C1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCC1	REAL250004642166	0	42	0.0	-60.11	304.46	4.29	-55.82
CC1CC[NH+](CC(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642171	0	45	0.0	-58.40	340.62	5.80	-52.60
CC(C)[C@@H](C(=O)N1CCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004642186	0	44	0.0	-56.56	321.21	5.10	-51.46
O=C(C[NH+]1CCCC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642241	0	39	0.0	-57.63	301.86	4.42	-53.21
CC[N@H+](CC(=O)N1CCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004642257	0	42	0.0	-55.11	326.85	5.35	-49.76
CC[N@@H+](CC(=O)N1CCC(CC2=NN=N[N-]2)C1)C1CC1	REAL250004642257	1	42	0.0	-55.70	323.79	5.32	-50.38
CCC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004642271	0	41	0.0	-56.37	308.06	4.42	-51.95
CCCC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004642274	0	44	0.0	-57.35	327.72	5.00	-52.35
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642278	1	37	0.0	-74.97	312.29	6.67	-68.30
C[NH+]1CCC(C)(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004642287	0	45	0.0	-60.35	324.20	4.75	-55.60
C[NH+]1CCC(C)(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642287	1	45	0.0	-60.38	324.26	4.76	-55.62
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642291	0	47	0.0	-54.89	342.10	3.77	-51.12
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642291	1	47	0.0	-54.87	342.16	3.78	-51.09
C=C(C[NH+](C)C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642414	0	39	0.0	-57.97	314.19	4.24	-53.73
C=C(C[NH+](C)C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642414	1	39	0.0	-57.99	314.25	4.26	-53.73
O=C(N1CCC(CC2=NN=N[N-]2)C1)C12CCC[NH+]1CCC2	REAL250004642513	0	43	0.0	-53.80	313.77	4.64	-49.16
O=C(C1CCC[N@@H+]1C1CC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642550	0	43	0.0	-54.83	328.83	5.25	-49.58
O=C(C1CCC[N@H+]1C1CC1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642550	1	43	0.0	-53.54	326.12	5.44	-48.10
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642605	1	37	0.0	-70.87	312.25	6.69	-64.18
CC1=[NH+]C=CN1CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642611	1	37	0.0	-56.17	307.05	4.91	-51.26
CC1=[NH+]C=CN1CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642611	1	37	0.0	-56.24	307.11	4.91	-51.33
C[NH+](C)C1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642615	0	39	0.0	-57.90	298.00	3.82	-54.08
C[N@H+](CC(=O)N1CCC(CC2=NN=N[N-]2)C1)C1CCC1	REAL250004642757	0	42	0.0	-56.43	323.92	5.30	-51.13
C[N@@H+](CC(=O)N1CCC(CC2=NN=N[N-]2)C1)C1CCC1	REAL250004642757	1	42	0.0	-56.41	323.81	5.29	-51.12
CC[C@@H]1[C@@H](C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC[N@@H+]1C	REAL250004642836	0	45	0.0	-62.49	329.98	4.80	-57.69
CC[C@@H]1[C@@H](C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC[N@H+]1C	REAL250004642836	1	45	0.0	-60.70	335.22	5.17	-55.53
CC[C@@H]1[C@@H](C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC[N@@H+]1C	REAL250004642836	1	45	0.0	-62.50	330.04	4.81	-57.69
CC[C@@H]1[C@@H](C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC[N@H+]1C	REAL250004642836	1	45	0.0	-60.70	335.28	5.18	-55.52
C[C@@H]1[C@H](C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC[N@@H+]1C	REAL250004642844	0	42	0.0	-60.46	313.91	4.49	-55.97
C[C@@H]1[C@H](C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC[N@H+]1C	REAL250004642844	1	42	0.0	-63.09	319.64	4.52	-58.57
C[C@@H]1[C@H](C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC[N@@H+]1C	REAL250004642844	1	42	0.0	-60.50	313.96	4.50	-56.00
C[C@@H]1[C@H](C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC[N@H+]1C	REAL250004642844	1	42	0.0	-63.14	319.70	4.53	-58.61
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642863	0	45	0.0	-55.76	316.74	4.36	-51.40
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642863	1	45	0.0	-54.37	339.09	4.97	-49.40
O=C(N1CCC(CC2=N[N-]N=N2)C1)C12CC[N@H+](C1)CCC2	REAL250004642878	0	43	0.0	-63.02	309.78	4.10	-58.92
O=C(N1CCC(CC2=N[N-]N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL250004642878	1	43	0.0	-62.34	308.94	4.07	-58.27
O=C(N1CCC(CC2=NN=N[N-]2)C1)C12CC[N@H+](C1)CCC2	REAL250004642878	1	43	0.0	-62.98	309.85	4.11	-58.87
O=C(N1CCC(CC2=NN=N[N-]2)C1)C12CC[N@@H+](C1)CCC2	REAL250004642878	1	43	0.0	-62.33	309.00	4.07	-58.26
C[NH+](C)CC1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004642922	0	42	0.0	-60.44	318.75	5.00	-55.44
C[NH+](C)CC1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004642922	1	42	0.0	-60.44	318.80	5.01	-55.43
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642939	0	39	0.0	-55.06	299.52	4.11	-50.95
C[N@H+]1CCC[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642939	1	39	0.0	-58.22	296.40	3.78	-54.44
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642940	0	39	0.0	-58.25	296.35	3.78	-54.47
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642940	1	39	0.0	-56.36	299.73	4.18	-52.18
C[C@H](C(=O)N1CCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004642941	0	38	0.0	-56.08	293.62	3.57	-52.51
O=C(N1CCC(CC2=N[N-]N=N2)C1)C12CC[NH+](CC1)C2	REAL250004642944	0	40	0.0	-62.40	300.63	3.45	-58.95
O=C(N1CCC(CC2=NN=N[N-]2)C1)C12CC[NH+](CC1)C2	REAL250004642944	1	40	0.0	-62.41	300.68	3.46	-58.95
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642949	0	43	0.0	-56.74	318.62	0.85	-55.89
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642949	1	43	0.0	-59.63	318.30	0.84	-58.79
CC1=C[NH+]=CN1CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642960	1	37	0.0	-58.11	307.46	5.65	-52.46
CC1=C[NH+]=CN1CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642960	1	37	0.0	-58.11	307.40	5.64	-52.47
C[C@@H](C(=O)N1CCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004642980	0	38	0.0	-57.44	294.45	3.65	-53.79
CC1C[N@H+](C)CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)O1	REAL250004642983	1	43	0.0	-64.82	325.03	4.29	-60.53
CC1C[N@@H+](C)CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)O1	REAL250004642983	1	43	0.0	-62.08	323.85	4.11	-57.97
C[N@@H+]1CCCC1CCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642984	0	45	0.0	-61.59	345.05	5.77	-55.82
C[N@H+]1CCCC1CCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642984	1	45	0.0	-60.58	339.56	5.35	-55.23
C[N@@H+]1CCCC1CCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642984	1	45	0.0	-61.63	345.10	5.78	-55.85
C[N@H+]1CCCC1CCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642984	1	45	0.0	-60.59	339.62	5.36	-55.23
C[N@H+](CC(=O)N1CCC(CC2=N[N-]N=N2)C1)CC(C)(C)C	REAL250004642990	0	47	0.0	-58.24	345.48	5.71	-52.53
C[N@@H+](CC(=O)N1CCC(CC2=N[N-]N=N2)C1)CC(C)(C)C	REAL250004642990	1	47	0.0	-57.85	347.42	5.85	-52.00
C[N@H+](CC(=O)N1CCC(CC2=NN=N[N-]2)C1)CC(C)(C)C	REAL250004642990	1	47	0.0	-58.30	345.53	5.73	-52.57
C[N@@H+](CC(=O)N1CCC(CC2=NN=N[N-]2)C1)CC(C)(C)C	REAL250004642990	1	47	0.0	-57.87	347.48	5.86	-52.01
C=C(CC[NH+](C)C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642994	0	42	0.0	-59.94	335.81	5.03	-54.91
C=C(CC[NH+](C)C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642994	1	42	0.0	-59.91	335.87	5.04	-54.87
C[NH+]1CCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004643022	0	42	0.0	-65.04	321.97	4.84	-60.20
C[NH+]1CCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004643022	1	42	0.0	-65.00	322.03	4.85	-60.15
CC[C@@H](C(=O)N1CCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004643028	0	41	0.0	-57.70	305.70	4.28	-53.42
CC[C@H](C(=O)N1CCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004643029	0	41	0.0	-57.26	307.77	4.34	-52.92
C[N@@H+]1CCCCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643087	0	42	0.0	-58.68	310.00	4.51	-54.17
C[N@H+]1CCCCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643087	1	42	0.0	-53.76	317.15	4.76	-49.00
CC[N@@H+]1CCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643138	1	39	0.0	-58.08	309.28	4.26	-53.82
CC[N@H+]1CCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643138	1	39	0.0	-55.47	300.85	3.86	-51.61
O=C(CC[N@H+]1CCC(F)C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643142	0	42	0.0	-64.07	331.79	5.09	-58.98
O=C(CC[N@@H+]1CCC(F)C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643142	1	42	0.0	-65.30	331.68	5.08	-60.22
O=C(CC[N@H+]1CCC(F)C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643142	1	42	0.0	-64.09	331.84	5.10	-58.99
O=C(CC[N@@H+]1CCC(F)C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643142	1	42	0.0	-65.34	331.74	5.09	-60.25
CC(CC[NH+](C)C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643145	0	44	0.0	-62.84	338.32	5.06	-57.78
CC(CC[NH+](C)C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643145	1	44	0.0	-62.89	338.38	5.08	-57.81
C[NH+](C)C1(C(=O)N2CCC(CC3=N[N-]N=N3)C2)CCCC1	REAL250004643198	0	45	0.0	-55.07	311.41	4.41	-50.66
C[NH+](C)C1(C(=O)N2CCC(CC3=NN=N[N-]3)C2)CCCC1	REAL250004643198	1	45	0.0	-55.05	311.47	4.43	-50.62
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643212	0	45	0.0	-55.87	327.54	5.53	-50.34
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643212	1	45	0.0	-54.41	332.48	5.22	-49.19
CC(C)(C)[NH2+]CCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643218	0	44	0.0	-63.36	338.15	3.61	-59.75
CC(C)(C)[NH2+]CCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643218	1	44	0.0	-63.32	338.21	3.62	-59.70
C[NH+](C)CC(O)CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643243	0	42	0.0	-66.21	330.34	2.33	-63.88
C[NH+](C)CC(O)CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643243	1	42	0.0	-66.22	330.40	2.35	-63.87
CC(C[NH+](C)C)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643244	0	41	0.0	-61.59	312.33	4.32	-57.27
CC(C[NH+](C)C)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643244	1	41	0.0	-61.59	312.39	4.34	-57.25
C[NH+](C)CC=CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643246	0	39	0.0	-73.75	314.09	4.47	-69.28
C[NH+](C)CC=CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643246	1	39	0.0	-73.80	314.15	4.49	-69.31
C=CCC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)[NH+](C)C	REAL250004643294	0	42	0.0	-56.72	319.44	4.76	-51.96
C[N@@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL250004643302	0	42	0.0	-63.80	321.15	4.75	-59.05
C[N@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL250004643302	1	42	0.0	-59.72	311.71	4.67	-55.05
C[N@@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004643302	1	42	0.0	-63.76	321.20	4.76	-59.00
C[N@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004643302	1	42	0.0	-59.73	311.77	4.69	-55.04
C[N@H+]1CC=C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004643324	0	43	0.0	-61.31	336.79	5.65	-55.66
C[N@@H+]1CC=C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL250004643324	1	43	0.0	-59.73	336.79	5.65	-54.08
C[N@H+]1CC=C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004643324	1	43	0.0	-61.31	336.85	5.66	-55.65
C[N@@H+]1CC=C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL250004643324	1	43	0.0	-59.74	336.84	5.66	-54.08
C[NH+](C)CCSCC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643492	0	42	0.0	-75.92	344.46	5.21	-70.71
C[NH+](C)CCSCC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643492	1	42	0.0	-75.98	344.52	5.23	-70.75
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL250004643711	0	42	0.0	-60.46	327.08	4.99	-55.47
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004643711	1	42	0.0	-60.46	327.13	5.00	-55.46
CC[N@@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL250004643731	0	45	0.0	-56.89	331.20	5.57	-51.32
CC[N@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL250004643731	1	45	0.0	-53.90	329.44	5.55	-48.35
CC[N@@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004643731	1	45	0.0	-56.89	331.20	5.57	-51.32
CC[N@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL250004643731	1	45	0.0	-53.90	329.44	5.55	-48.35
CN(C)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL250004643786	0	32	0.0	-45.80	278.47	4.43	-41.37
C[NH+](C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL250004643786	1	32	0.0	-45.80	278.47	4.43	-41.37
C[C@H](C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N(C)C	REAL250004643858	0	35	0.0	-45.14	296.51	4.82	-40.32
C[C@H](C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL250004643858	1	35	0.0	-45.14	296.51	4.82	-40.32
C[C@@H](C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)N(C)C	REAL250004643860	0	35	0.0	-42.62	296.47	4.84	-37.78
C[C@@H](C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL250004643860	1	35	0.0	-42.62	296.47	4.84	-37.78
O=C(C1=CC=C2CCCC2=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004643927	0	40	0.0	-11.39	312.66	5.93	-5.46
O=C(C1=CC=C2CCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL250004643927	1	40	0.0	-11.39	312.66	5.93	-5.46
O=C(CCC1=CC=CS1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004643928	0	36	0.0	-10.32	303.87	4.96	-5.36
O=C(CCC1=CC=CS1)N1CCN(C2=NNN=N2)CC1	REAL250004643928	1	36	0.0	-10.32	303.87	4.96	-5.36
CC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=NO1	REAL250004643929	0	32	0.0	-9.64	265.40	2.74	-6.90
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL250004643929	1	32	0.0	-9.64	265.40	2.74	-6.90
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CC1	REAL250004643930	0	40	0.0	-11.48	316.85	5.91	-5.57
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2)CC1	REAL250004643930	1	40	0.0	-11.48	316.85	5.91	-5.57
O=C(C1=CC=CC(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004643931	0	33	0.0	-12.48	274.30	4.12	-8.36
O=C(C1=CC=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL250004643931	1	33	0.0	-12.48	274.30	4.12	-8.36
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CC(=O)CCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644027	1	37	0.0	-18.83	298.32	3.54	-15.29
CC1=CC(OCC(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL250004644028	1	36	0.0	-14.14	301.00	1.93	-12.21
CC1=NNC(C)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644029	1	39	0.0	-16.16	312.59	2.61	-13.55
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CC1=NOC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644031	1	32	0.0	-8.79	265.10	2.15	-6.64
CCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL250004644032	1	36	0.0	-9.95	299.97	4.56	-5.39
CC1=NOC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644033	1	35	0.0	-10.97	291.52	3.17	-7.80
CCC1=NOC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644034	1	38	0.0	-10.83	313.01	3.91	-6.92
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004644035	1	33	0.0	-12.49	270.61	1.80	-10.69
NC(=O)NCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644036	1	35	0.0	-21.57	286.01	-2.39	-23.96
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SN=N1	REAL250004644038	1	31	0.0	-10.42	266.71	1.28	-9.14
CN1C=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004644039	1	37	0.0	-14.12	304.71	3.40	-10.72
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COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004644041	1	36	0.0	-11.93	294.85	0.78	-11.15
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1C	REAL250004644043	1	37	0.0	-11.01	288.24	3.94	-7.07
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC=C1	REAL250004644044	1	33	0.0	-10.42	267.14	3.09	-7.33
CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1=O	REAL250004644045	1	37	0.0	-11.68	300.61	1.53	-10.15
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CC1=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)O1	REAL250004644051	1	39	0.0	-11.30	317.31	4.52	-6.78
CC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL250004644052	1	39	0.0	-10.31	303.38	5.25	-5.06
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CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL250004644054	1	39	0.0	-11.16	305.47	5.23	-5.93
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COCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004644056	1	37	0.0	-10.47	304.24	2.16	-8.31
CN1C=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644057	1	34	0.0	-9.92	288.23	3.98	-5.94
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CC(=O)C1=CNC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644060	1	36	0.0	-22.94	295.43	2.82	-20.12
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CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)O1	REAL250004644062	1	36	0.0	-10.78	291.81	3.76	-7.02
CC1=NN(C)C(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644063	1	39	0.0	-13.18	315.60	3.06	-10.12
CC1=CC=C(F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644064	1	36	0.0	-9.37	292.74	4.71	-4.66
CCOC(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644065	1	37	0.0	-11.46	303.60	0.05	-11.41
CCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004644066	1	36	0.0	-9.60	292.43	4.01	-5.59
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CCOC(=O)NCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644068	1	40	0.0	-18.23	325.77	0.74	-17.49
O=C(C1CC2CCC1C2)N1CCN(C2=NNN=N2)CC1	REAL250004644069	1	40	0.0	-9.90	292.99	4.76	-5.14
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CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004644072	1	35	0.0	-12.72	284.29	2.90	-9.82
CN1C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644073	1	34	0.0	-11.00	269.35	3.46	-7.54
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CC1=NOC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL250004644075	1	37	0.0	-12.62	305.22	1.46	-11.16
CC1=C(C)SC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644076	1	36	0.0	-9.86	299.09	4.44	-5.42
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C	REAL250004644078	1	36	0.0	-12.19	288.70	2.25	-9.94
CCCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644079	1	38	0.0	-10.74	296.77	4.42	-6.32
CC(C)(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644080	1	38	0.0	-9.40	285.47	3.97	-5.43
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CC1=NC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL250004644082	1	35	0.0	-10.86	294.41	2.50	-8.36
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COC1=NC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644085	1	36	0.0	-15.61	294.36	1.13	-14.48
CCCCSCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644086	1	39	0.0	-12.24	319.76	5.02	-7.22
CCCCCCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644087	1	47	0.0	-10.19	361.23	6.75	-3.44
CCCCCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644088	1	44	0.0	-10.19	339.73	5.97	-4.22
CCCCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644089	1	41	0.0	-10.28	318.23	5.19	-5.09
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CC(C)SCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644093	1	36	0.0	-12.65	295.07	4.08	-8.57
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CC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL250004644095	1	35	0.0	-10.31	283.49	3.72	-6.59
O=C(C1=CC2=CNN=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL250004644098	1	36	0.0	-15.01	294.22	2.74	-12.27
CC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1O	REAL250004644099	1	37	0.0	-13.27	298.41	2.31	-10.96
CC1=CC=C(O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644101	1	37	0.0	-13.36	299.88	2.18	-11.18
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1O	REAL250004644102	1	37	0.0	-13.42	298.22	1.92	-11.50
CN1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL250004644103	1	40	0.0	-13.89	308.91	2.48	-11.41
CN1C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC1=O	REAL250004644104	1	36	0.0	-17.16	297.33	3.01	-14.15
CCN1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL250004644105	1	40	0.0	-14.79	312.96	2.77	-12.02
N#CCSCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644106	1	31	0.0	-20.07	276.11	3.18	-16.89
CS(=O)(=O)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644107	1	35	0.0	-17.30	295.91	-0.34	-17.64
CN1N=CC=C1C=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644108	1	37	0.0	-13.68	303.65	3.18	-10.50
CNC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644109	1	38	0.0	-10.02	301.31	3.07	-6.95
CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1C=CC=N1	REAL250004644110	1	36	0.0	-15.39	289.77	2.71	-12.68
CCC1=NNC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644111	1	36	0.0	-14.08	290.00	1.83	-12.25
O=C(CN1C=NC=N1)N1CCN(C2=NNN=N2)CC1	REAL250004644112	1	32	0.0	-20.97	267.22	3.87	-17.10
O=C(CSC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL250004644113	1	30	0.0	-11.02	275.03	3.15	-7.87
CC(C)OCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644114	1	39	0.0	-10.08	308.07	2.88	-7.20
O=C(CN1C=CC=NC1=O)N1CCN(C2=NNN=N2)CC1	REAL250004644115	1	35	0.0	-27.06	291.40	1.48	-25.58
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CCCCCCOCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644118	1	45	0.0	-13.06	352.81	5.57	-7.49
COC(=O)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644119	1	32	0.0	-17.80	264.18	3.03	-14.77
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COCCSCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644121	1	37	0.0	-12.41	310.44	2.51	-9.90
O=C(CN1CCCCC1=O)N1CCN(C2=NNN=N2)CC1	REAL250004644122	1	40	0.0	-16.88	312.77	3.34	-13.54
O=C(CN1CCCNC1=O)N1CCN(C2=NNN=N2)CC1	REAL250004644123	1	39	0.0	-19.03	307.75	1.21	-17.82
CC(=O)N(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644124	1	36	0.0	-16.80	289.82	2.08	-14.72
CCC(CC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644125	1	38	0.0	-9.78	283.20	3.67	-6.11
CN1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL250004644126	1	37	0.0	-14.74	290.64	1.76	-12.98
CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C#N	REAL250004644127	1	36	0.0	-10.25	302.07	3.96	-6.29
CC1=NNC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644128	1	33	0.0	-14.17	268.46	1.10	-13.07
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COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL250004644130	1	36	0.0	-10.40	294.09	0.75	-9.65
CCCCC(CC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644131	1	44	0.0	-10.30	326.19	5.21	-5.09
COC(=O)N(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644132	1	37	0.0	-16.65	302.48	2.01	-14.64
CCC(=O)NC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644133	1	39	0.0	-11.22	309.30	1.14	-10.08
O=C(C1=CC=CC=[N+]1[O-])N1CCN(C2=NNN=N2)CC1	REAL250004644134	1	33	0.0	-37.42	270.10	3.97	-33.45
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC=N1	REAL250004644135	1	32	0.0	-11.02	272.46	1.78	-9.24
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CCOCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644137	1	39	0.0	-13.46	309.30	2.90	-10.56
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)S(C)(=O)=O	REAL250004644140	1	35	0.0	-26.27	288.07	-0.24	-26.51
CC1=CNC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644141	1	34	0.0	-14.91	274.69	2.60	-12.31
CSC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644142	1	33	0.0	-12.91	270.93	2.96	-9.95
CCOC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644143	1	36	0.0	-13.56	283.35	2.89	-10.67
O=C(C1=CC=C2C=CNC2=C1)N1CCN(C2=NNN=N2)CC1	REAL250004644144	1	37	0.0	-12.76	299.29	4.07	-8.69
NC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CN1	REAL250004644145	1	35	0.0	-15.96	288.65	-1.35	-17.31
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C	REAL250004644146	1	39	0.0	-11.87	311.62	3.04	-8.83
O=C(CCC1=CC=NC=C1)N1CCN(C2=NNN=N2)CC1	REAL250004644148	1	38	0.0	-12.46	308.56	4.12	-8.34
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC1=O	REAL250004644149	1	36	0.0	-16.28	296.47	3.00	-13.28
N#CCC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644151	1	37	0.0	-16.55	309.38	5.19	-11.36
O=C(C1CCC(=O)NC1)N1CCN(C2=NNN=N2)CC1	REAL250004644152	1	37	0.0	-14.99	290.44	0.50	-14.49
COCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644153	1	36	0.0	-13.45	287.45	1.93	-11.52
O=C(C1=NNC2=C1CCC2)N1CCN(C2=NNN=N2)CC1	REAL250004644154	1	37	0.0	-12.07	292.80	2.95	-9.12
CC(F)(F)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644155	1	35	0.0	-9.68	286.39	3.77	-5.91
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O=C(COC1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL250004644157	1	43	0.0	-13.56	328.74	5.11	-8.45
CC1=NC=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644158	1	34	0.0	-10.31	276.72	2.66	-7.65
CCC1=NC=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644159	1	37	0.0	-10.16	298.23	3.39	-6.77
C=CCSCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644160	1	34	0.0	-12.51	289.57	4.00	-8.51
CCOC1CC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644161	1	37	0.0	-13.59	295.09	4.06	-9.53
CC1=NC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL250004644162	1	34	0.0	-9.67	278.76	2.88	-6.79
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CCSCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644164	1	36	0.0	-9.79	298.48	4.22	-5.57
COC(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644165	1	34	0.0	-11.75	281.73	-0.88	-12.63
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CC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004644169	1	38	0.0	-15.25	308.74	3.90	-11.35
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(=O)N1	REAL250004644170	1	36	0.0	-22.66	297.60	1.70	-20.96
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)CC(C)(C)C	REAL250004644171	1	47	0.0	-9.90	339.49	5.68	-4.22
CCCSCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644172	1	36	0.0	-12.16	298.26	4.23	-7.93
CC(=CC(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL250004644173	1	37	0.0	-9.35	288.94	4.81	-4.54
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CC(=CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL250004644178	1	40	0.0	-9.41	321.20	6.34	-3.07
CC1=CN(CC(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004644179	1	36	0.0	-18.29	294.32	3.11	-15.18
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CC1=NN(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644181	1	36	0.0	-11.61	286.23	2.38	-9.23
CN1C=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004644182	1	39	0.0	-14.19	316.46	3.65	-10.54
CCC=C(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644183	1	36	0.0	-11.34	275.48	3.66	-7.68
CCCCSC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644184	1	42	0.0	-12.33	335.08	5.42	-6.91
CC1=CN(CCC(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004644185	1	39	0.0	-11.22	316.52	3.72	-7.50
CCOCCOC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644186	1	43	0.0	-15.81	338.83	3.11	-12.70
CC(C)COC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644187	1	42	0.0	-13.22	324.96	4.37	-8.85
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CC(C)CCSCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644189	1	42	0.0	-12.11	337.33	5.53	-6.58
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CCCC(C)=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644191	1	39	0.0	-9.30	304.02	4.91	-4.39
CC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL250004644192	1	32	0.0	-11.74	273.45	1.84	-9.90
CCOC(CC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644193	1	39	0.0	-13.05	301.84	3.61	-9.44
O=C(C1CCOC1)N1CCN(C2=NNN=N2)CC1	REAL250004644194	1	34	0.0	-12.70	262.14	1.19	-11.51
CC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL250004644195	1	36	0.0	-12.31	304.36	4.97	-7.34
O=C(C=C1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL250004644196	1	40	0.0	-9.12	302.23	5.22	-3.90
CS(=O)(=O)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644197	1	32	0.0	-27.33	273.80	-0.88	-28.21
CCS(=O)(=O)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644198	1	35	0.0	-27.08	295.27	0.03	-27.05
O=C(C1=CC=CC2=C1CCC2)N1CCN(C2=NNN=N2)CC1	REAL250004644199	1	40	0.0	-11.12	312.93	5.94	-5.18
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC=C1	REAL250004644200	1	36	0.0	-9.87	297.94	4.44	-5.43
CC(OCC1CC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644201	1	40	0.0	-13.25	314.46	4.45	-8.80
CC(C)OCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644202	1	36	0.0	-13.79	287.12	3.18	-10.61
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL250004644203	1	39	0.0	-10.21	300.34	4.92	-5.29
CC1CCCCC1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644204	1	45	0.0	-10.16	322.54	5.61	-4.55
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=CO1	REAL250004644205	1	32	0.0	-10.62	261.19	0.72	-9.90
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CCC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL250004644207	1	35	0.0	-11.06	295.92	2.66	-8.40
C=CCCOCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644209	1	37	0.0	-13.16	301.12	3.79	-9.37
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CC[NH+](CC)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644211	0	40	0.0	-59.04	295.13	3.87	-55.17
O=C(C1=CC=NC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL250004644212	1	32	0.0	-10.58	268.30	2.19	-8.39
CN1N=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644213	1	33	0.0	-11.54	264.29	1.80	-9.74
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COCCOCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644215	1	40	0.0	-11.76	321.43	1.40	-10.36
CC(C)[N@H+](C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644217	0	40	0.0	-58.29	298.01	4.01	-54.28
CC(C)[N@@H+](C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644217	1	40	0.0	-58.69	298.00	4.00	-54.69
O=C(CC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL250004644218	1	29	0.0	-14.25	249.69	2.52	-11.73
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CCCOCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644220	1	36	0.0	-13.15	288.31	3.23	-9.92
CCCCOC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644221	1	42	0.0	-13.36	326.35	4.46	-8.90
CC(C)CCOCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644222	1	42	0.0	-13.07	327.38	4.52	-8.55
CC(C)CCOC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644223	1	45	0.0	-13.29	343.92	4.99	-8.30
COCCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644224	1	39	0.0	-11.09	308.91	2.70	-8.39
NC(=O)CCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644225	1	36	0.0	-21.24	291.41	-0.30	-21.54
C=CCCOC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644226	1	40	0.0	-13.35	317.67	4.25	-9.10
O=C(C1=CN2C=NN=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL250004644227	1	35	0.0	-17.07	293.36	5.47	-11.60
O=C(C=CC1=CSC=N1)N1CCN(C2=NNN=N2)CC1	REAL250004644228	1	33	0.0	-11.46	287.50	2.74	-8.72
CN1C=C(C(=O)C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004644229	1	35	0.0	-11.16	290.74	1.91	-9.25
CCC(OC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644230	1	36	0.0	-13.11	280.03	2.67	-10.44
O=C(CC[NH+]1CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644231	1	42	0.0	-66.18	318.81	2.86	-63.32
O=C(CCC1=CC=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL250004644232	1	38	0.0	-11.42	307.86	4.11	-7.31
CCCC1=NNC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644234	1	39	0.0	-13.61	311.49	2.60	-11.01
O=C(N1CCN(C2=NNN=N2)CC1)C1(C(F)(F)F)CC1	REAL250004644235	1	33	0.0	-10.87	275.26	3.31	-7.56
CN1C=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004644236	1	36	0.0	-15.87	295.06	2.85	-13.02
CCN1N=C(C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644237	1	39	0.0	-11.12	306.51	3.19	-7.93
O=C(COC1=CC=CN=C1)N1CCN(C2=NNN=N2)CC1	REAL250004644238	1	36	0.0	-15.57	296.04	3.20	-12.37
CCC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644239	1	38	0.0	-10.61	276.74	3.25	-7.36
O=C(C1CCCCCC1)N1CCN(C2=NNN=N2)CC1	REAL250004644240	1	42	0.0	-9.58	299.42	4.72	-4.86
COC(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644241	1	36	0.0	-11.53	285.05	2.67	-8.86
O=C(C1=CC=CC(F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL250004644242	1	33	0.0	-17.33	279.98	4.17	-13.16
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL250004644243	1	40	0.0	-10.95	288.01	2.02	-8.93
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL250004644244	1	39	0.0	-10.48	285.60	4.03	-6.45
CC1CCCC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004644245	1	45	0.0	-10.25	332.92	5.95	-4.30
N#CC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL250004644246	1	37	0.0	-15.72	313.10	5.46	-10.26
CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1CCOCC1	REAL250004644247	1	42	0.0	-11.46	309.80	0.17	-11.29
CC(=O)NC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644248	1	39	0.0	-12.22	295.43	1.59	-10.63
CCCC(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644249	1	41	0.0	-10.20	310.23	4.88	-5.32
CC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644250	1	39	0.0	-12.47	313.69	5.74	-6.73
CCOCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644251	1	36	0.0	-10.22	287.80	2.13	-8.09
CCSC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL250004644252	1	42	0.0	-12.04	320.44	5.04	-7.00
CC(C)CC(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644253	1	44	0.0	-9.97	327.46	5.39	-4.58
CNC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644254	1	37	0.0	-9.75	300.18	0.68	-9.07
CC1=CC=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644255	1	36	0.0	-13.89	295.22	4.77	-9.12
O=C(CCN1CCCC1=O)N1CCN(C2=NNN=N2)CC1	REAL250004644256	1	40	0.0	-16.62	318.33	3.14	-13.48
O=C(C1CCCOC1)N1CCN(C2=NNN=N2)CC1	REAL250004644257	1	37	0.0	-9.92	283.92	2.11	-7.81
NC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644258	1	34	0.0	-9.55	278.04	-0.80	-10.35
O=C(C1=CSC=N1)N1CCN(C2=NNN=N2)CC1	REAL250004644259	1	29	0.0	-10.83	251.60	1.89	-8.94
CCNC(=O)CCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644260	1	42	0.0	-21.02	334.83	2.02	-19.00
CCNC(=O)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644261	1	39	0.0	-11.82	313.37	1.25	-10.57
CCCNC(=O)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644262	1	42	0.0	-11.72	334.87	2.02	-9.70
O=C(C1=COCC1)N1CCN(C2=NNN=N2)CC1	REAL250004644263	1	32	0.0	-11.81	252.96	1.60	-10.21
CCC(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644264	1	36	0.0	-11.56	291.20	0.52	-11.04
CNC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL250004644265	1	40	0.0	-8.92	309.46	0.99	-7.93
COC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC=C1	REAL250004644266	1	34	0.0	-14.18	287.30	2.49	-11.69
N#CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL250004644267	1	38	0.0	-10.90	293.59	1.52	-9.38
O=C(C1=CN2C=CN=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL250004644268	1	36	0.0	-13.74	298.71	4.75	-8.99
CN1C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL250004644269	1	33	0.0	-12.76	270.38	2.45	-10.31
COCCOCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644270	1	37	0.0	-15.81	300.44	1.68	-14.13
CCCC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644271	1	38	0.0	-9.91	290.74	3.97	-5.94
O=C(C1=CN2C=CC=CC2=C1)N1CCN(C2=NNN=N2)CC1	REAL250004644273	1	37	0.0	-12.59	299.08	5.68	-6.91
CN(CC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)C1CC1	REAL250004644274	1	40	0.0	-17.01	320.57	3.59	-13.42
COCC(=O)NCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644275	1	40	0.0	-24.17	326.09	0.58	-23.59
NC(=O)CSCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644276	1	34	0.0	-22.89	292.81	-0.47	-23.36
CC1=NON=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644277	1	31	0.0	-7.05	258.32	1.90	-5.15
C[NH+](C)CCCCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644278	0	43	0.0	-65.72	328.91	4.97	-60.75
C[NH+](C)CCCCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004644278	1	43	0.0	-65.67	329.08	4.98	-60.69
O=C(C1=C2C=CC=CN2N=C1)N1CCN(C2=NNN=N2)CC1	REAL250004644279	1	36	0.0	-14.98	295.76	3.80	-11.18
CC(C)C(C(=O)N1CCN(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004644280	0	43	0.0	-61.12	303.94	4.19	-56.93
C#CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004644281	1	34	0.0	-10.15	289.55	4.28	-5.87
O=C(CC1CCC(=O)N1)N1CCN(C2=NNN=N2)CC1	REAL250004644282	1	37	0.0	-18.15	293.70	0.78	-17.37
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CSC=C1	REAL250004644350	1	36	0.0	-10.74	297.28	4.47	-6.27
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=CO1	REAL250004644351	1	35	0.0	-10.39	283.04	1.51	-8.88
CC1CCC(C)[NH+]1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644352	0	44	0.0	-56.89	320.61	4.81	-52.08
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CCOC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644360	1	39	0.0	-10.94	318.55	4.13	-6.81
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CC1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644362	1	42	0.0	-10.26	313.84	5.09	-5.17
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COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL250004644364	1	35	0.0	-9.22	289.12	-0.07	-9.29
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CCC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)[NH+](CC)CC	REAL250004644367	0	46	0.0	-53.78	326.36	4.99	-48.79
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CO1	REAL250004644369	1	36	0.0	-13.84	290.84	4.30	-9.54
CC1=CC(F)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644370	1	36	0.0	-9.41	295.70	4.78	-4.63
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CCC(C)(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644373	1	41	0.0	-8.75	299.65	4.44	-4.31
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C(F)(F)F	REAL250004644384	1	32	0.0	-13.12	267.44	2.95	-10.17
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCC1	REAL250004644388	1	42	0.0	-10.33	314.01	5.07	-5.26
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL250004644389	1	36	0.0	-14.02	296.71	4.83	-9.19
NC(=O)C1=CNC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644390	1	35	0.0	-24.42	288.55	-0.89	-25.31
CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644391	1	36	0.0	-10.56	282.63	3.84	-6.72
CC1=CSC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644392	1	33	0.0	-10.38	276.60	3.71	-6.67
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CC1=CC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004644395	1	36	0.0	-9.85	288.39	3.79	-6.06
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CC1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644398	1	35	0.0	-12.13	284.14	2.92	-9.21
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC=N1	REAL250004644401	1	32	0.0	-11.43	261.69	-0.24	-11.67
C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644402	0	41	0.0	-58.06	303.27	4.33	-53.73
C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644402	1	41	0.0	-61.19	295.91	4.08	-57.11
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL250004644404	1	36	0.0	-10.22	281.45	4.09	-6.13
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N#CC1=CNC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644407	1	32	0.0	-17.57	272.64	2.81	-14.76
O=C(C#CC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL250004644408	1	35	0.0	-10.60	300.04	5.73	-4.87
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CN(C)N=C1	REAL250004644409	1	39	0.0	-15.70	311.33	3.22	-12.48
CCCCCC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644410	1	47	0.0	-10.62	341.24	5.57	-5.05
O=C(CCC1=COC=C1)N1CCN(C2=NNN=N2)CC1	REAL250004644411	1	36	0.0	-11.86	294.38	3.82	-8.04
CC(C)CC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644412	1	44	0.0	-9.91	311.51	4.91	-5.00
O=C(CCC1CCCOC1)N1CCN(C2=NNN=N2)CC1	REAL250004644413	1	43	0.0	-11.35	325.55	3.68	-7.67
CC1=CC=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644414	1	35	0.0	-12.01	286.78	2.83	-9.18
CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL250004644415	1	39	0.0	-10.57	289.59	4.03	-6.54
CC1(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL250004644416	1	42	0.0	-8.86	312.82	4.96	-3.90
CNS(=O)(=O)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644418	1	34	0.0	-23.78	288.70	-2.44	-26.22
CSC=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644419	1	31	0.0	-9.90	266.76	2.97	-6.93
O=C(CCC1CCOC1)N1CCN(C2=NNN=N2)CC1	REAL250004644420	1	40	0.0	-12.10	308.87	2.91	-9.19
N#CC1=CSC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644421	1	31	0.0	-14.17	277.57	3.35	-10.82
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C(F)F	REAL250004644422	1	29	0.0	-7.49	254.13	2.41	-5.08
O=C(CN1C=CN=N1)N1CCN(C2=NNN=N2)CC1	REAL250004644423	1	32	0.0	-23.41	266.34	1.15	-22.26
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O=CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1	REAL250004644425	1	33	0.0	-13.05	276.19	1.95	-11.10
COC1=CSC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644426	1	34	0.0	-11.88	287.16	2.31	-9.57
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CN1	REAL250004644427	1	34	0.0	-12.10	272.89	2.60	-9.50
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL250004644428	1	36	0.0	-10.51	271.86	3.47	-7.04
C=CCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644429	1	36	0.0	-11.26	288.08	4.20	-7.06
CC(C)CCCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644430	1	47	0.0	-10.66	357.33	6.49	-4.17
CC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004644431	1	39	0.0	-11.56	316.31	4.81	-6.75
COC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL250004644432	1	36	0.0	-9.68	291.89	2.02	-7.66
O=C(COC1CCOC1)N1CCN(C2=NNN=N2)CC1	REAL250004644433	1	38	0.0	-15.85	302.25	1.90	-13.95
O=C(C1CC12CCCC2)N1CCN(C2=NNN=N2)CC1	REAL250004644434	1	40	0.0	-10.12	308.37	5.23	-4.89
O=CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL250004644435	1	32	0.0	-13.38	280.09	2.84	-10.54
O=C(C1CC(F)(F)C1)N1CCN(C2=NNN=N2)CC1	REAL250004644436	1	33	0.0	-11.27	271.84	3.50	-7.77
O=C(C1=CC(=O)NC=C1)N1CCN(C2=NNN=N2)CC1	REAL250004644437	1	33	0.0	-21.84	271.96	0.94	-20.90
CCCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644438	1	39	0.0	-10.54	304.13	4.62	-5.92
CCC(CC)(CC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644439	1	44	0.0	-10.47	307.61	4.17	-6.30
COCCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL250004644440	1	43	0.0	-10.57	323.27	3.10	-7.47
CC1=NNC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644441	1	36	0.0	-16.64	294.08	1.97	-14.67
CN1C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644442	1	34	0.0	-12.53	275.13	3.73	-8.80
COCC(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644443	1	39	0.0	-12.64	303.44	2.57	-10.07
O=C(CC1CCCCO1)N1CCN(C2=NNN=N2)CC1	REAL250004644444	1	40	0.0	-12.66	306.36	3.98	-8.68
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCO1	REAL250004644445	1	37	0.0	-9.01	281.04	2.35	-6.66
CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)COC1	REAL250004644446	1	37	0.0	-12.87	282.26	1.38	-11.49
CC(C)N1N=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644447	1	39	0.0	-11.26	306.25	3.36	-7.90
O=C(CC1=CC=CN=C1)N1CCN(C2=NNN=N2)CC1	REAL250004644448	1	35	0.0	-14.99	287.12	3.29	-11.70
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CC1=CC=CC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644450	1	39	0.0	-10.32	310.75	5.28	-5.04
CC1CC[NH+](CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004644451	0	44	0.0	-61.31	326.50	5.30	-56.01
O=C(C1CCNC(=O)C1)N1CCN(C2=NNN=N2)CC1	REAL250004644452	1	37	0.0	-15.10	290.38	0.54	-14.56
CC1(C)CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644453	1	45	0.0	-9.59	326.96	5.38	-4.21
O=C(C(F)=C1CCCC1)N1CCN(C2=NNN=N2)CC1	REAL250004644454	1	37	0.0	-7.21	289.67	4.64	-2.57
CCC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644455	1	39	0.0	-10.28	305.83	5.35	-4.93
CCC1(C)CC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644456	1	39	0.0	-9.66	295.61	4.66	-5.00
CCCC(C)(O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644457	1	39	0.0	-8.30	295.70	1.01	-7.29
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CC1=CC=CC(F)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644460	1	36	0.0	-12.63	297.55	4.79	-7.84
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CCCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL250004644462	1	42	0.0	-10.41	311.10	4.81	-5.60
CCC(=CC(=O)N1CCN(C2=NNN=N2)CC1)CC	REAL250004644463	1	39	0.0	-8.80	299.90	4.87	-3.93
CC1=CC(=O)NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644464	1	36	0.0	-16.12	297.31	1.73	-14.39
CC(C)[C@@H](C(=O)N1CCN(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004644465	0	43	0.0	-61.10	303.58	4.32	-56.78
N#CC1=NN(CC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004644466	1	33	0.0	-24.78	288.55	3.30	-21.48
CC1CC(C#N)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004644467	1	37	0.0	-8.67	295.19	3.71	-4.96
CC1CCC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004644469	1	42	0.0	-10.53	316.30	5.34	-5.19
CCC(CC)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644470	1	41	0.0	-10.07	306.74	4.72	-5.35
CC=C(C=CC(=O)N1CCN(C2=NNN=N2)CC1)CC	REAL250004644471	1	40	0.0	-9.82	315.06	5.25	-4.57
CC1CCC(=CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004644472	1	40	0.0	-9.54	307.41	5.28	-4.26
CC(C)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644473	1	39	0.0	-10.48	290.53	4.14	-6.34
O=C(C1CCSC1)N1CCN(C2=NNN=N2)CC1	REAL250004644474	1	34	0.0	-12.03	271.72	3.46	-8.57
CC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004644475	1	36	0.0	-10.30	277.60	3.88	-6.42
CC(C(=O)N1CCN(C2=NNN=N2)CC1)=C1CCCC1	REAL250004644476	1	40	0.0	-10.40	311.53	5.13	-5.27
O=C(N1CCN(C2=NNN=N2)CC1)C1(O)CCCCC1	REAL250004644477	1	40	0.0	-9.85	292.48	1.57	-8.28
O=C(N1CCN(C2=NNN=N2)CC1)C1(O)CCCC1	REAL250004644478	1	37	0.0	-8.88	280.88	0.83	-8.05
COCC(C)(O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644479	1	37	0.0	-8.64	289.87	-0.93	-9.57
O=C(CC1CCSCC1)N1CCN(C2=NNN=N2)CC1	REAL250004644480	1	40	0.0	-11.43	311.99	5.02	-6.41
CCOC(CC(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL250004644481	1	45	0.0	-11.22	339.42	4.87	-6.35
CN1C=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644482	1	33	0.0	-12.81	269.89	4.14	-8.67
COC(=O)CC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644483	1	38	0.0	-9.82	302.32	3.20	-6.62
CC1=C(C)OC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644484	1	36	0.0	-10.18	291.46	3.87	-6.31
C=CCC(CC=C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644485	1	40	0.0	-8.91	316.36	5.03	-3.88
CCC[C@@H](NC(N)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644486	1	41	0.0	-19.67	316.62	0.17	-19.50
CC1=CC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1	REAL250004644487	1	37	0.0	-10.46	300.05	3.13	-7.33
CCC1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004644488	1	40	0.0	-14.26	306.65	4.06	-10.20
CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL250004644489	1	42	0.0	-10.37	302.38	4.49	-5.88
CC(C)CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL250004644490	1	45	0.0	-9.76	320.18	5.11	-4.65
CC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL250004644491	1	36	0.0	-14.97	293.98	4.74	-10.23
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CSCCC(O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644493	1	37	0.0	-11.26	304.70	1.76	-9.50
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CC1(C)C[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644497	1	36	0.0	-9.74	278.55	4.01	-5.73
CNC(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644499	1	35	0.0	-12.84	285.76	-1.64	-14.48
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004644500	1	35	0.0	-10.14	283.36	3.79	-6.35
CC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004644502	1	36	0.0	-14.94	294.95	4.03	-10.91
CCCC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL250004644503	1	44	0.0	-10.05	317.95	5.17	-4.88
CC(C)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL250004644504	1	38	0.0	-8.72	307.38	4.13	-4.59
CCC(C)C(O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644505	1	39	0.0	-10.67	293.28	1.83	-8.84
NC(=O)NC(CO)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644506	1	36	0.0	-14.55	292.83	-5.72	-20.27
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CN1CCOCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644508	1	39	0.0	-10.60	297.23	-0.30	-10.90
CC(C)N1C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644509	1	40	0.0	-10.68	309.66	4.90	-5.78
CC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1=O	REAL250004644510	1	41	0.0	-16.00	312.92	4.05	-11.95
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CCCC(CCC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644512	1	44	0.0	-9.65	332.55	5.41	-4.24
CC1CC(=O)CCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644513	1	41	0.0	-15.78	313.34	4.08	-11.70
CC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL250004644514	1	45	0.0	-9.24	320.03	5.58	-3.66
CC1=NN=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644515	1	34	0.0	-13.55	276.86	1.86	-11.69
O=C(N1CCN(C2=NNN=N2)CC1)C1(O)CCSCC1	REAL250004644516	1	38	0.0	-11.31	290.54	1.36	-9.95
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)CCCO1	REAL250004644517	1	38	0.0	-10.97	297.96	3.10	-7.87
CCN1CCOCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644518	1	42	0.0	-10.46	316.47	0.53	-9.93
COCC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644519	1	39	0.0	-9.85	294.00	1.96	-7.89
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCOCC1	REAL250004644520	1	43	0.0	-10.40	320.12	3.21	-7.19
O=C(C[NH+]1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004644521	0	38	0.0	-60.32	287.75	3.90	-56.42
O=C(CN1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL250004644522	1	39	0.0	-11.93	298.75	0.01	-11.92
CSC(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644526	1	36	0.0	-11.59	292.79	3.89	-7.70
CN1C(=O)C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644527	1	36	0.0	-14.93	294.90	2.66	-12.27
NC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644528	1	36	0.0	-20.65	292.34	-1.08	-21.73
CN1C=NN(CC(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL250004644529	1	36	0.0	-22.84	300.91	3.47	-19.37
CCC1=CC=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644530	1	38	0.0	-11.94	304.46	3.76	-8.18
COCCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644531	1	40	0.0	-11.07	316.30	2.90	-8.17
CCCN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL250004644532	1	38	0.0	-10.83	308.46	2.55	-8.28
CC1=CC(F)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644533	1	36	0.0	-9.93	292.76	4.71	-5.22
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1C=CC=C1	REAL250004644535	1	37	0.0	-14.08	294.25	4.56	-9.52
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CC1(C)CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004644609	1	45	0.0	-9.70	326.28	5.33	-4.37
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C[C@H](C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL250004644663	1	39	0.0	-11.15	307.62	5.39	-5.76
C[C@@H](C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL250004644664	1	39	0.0	-11.02	308.81	5.48	-5.54
CCC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CCO1	REAL250004644665	1	43	0.0	-12.07	326.24	3.69	-8.38
CCC(C)C(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644666	1	41	0.0	-10.25	305.20	4.39	-5.86
CC(C)OCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644667	1	42	0.0	-13.36	329.57	3.64	-9.72
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COC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL250004644672	1	40	0.0	-13.08	305.82	3.64	-9.44
CC1OCCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644673	1	40	0.0	-12.92	297.98	3.81	-9.11
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CCC(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644683	1	38	0.0	-10.26	288.72	4.12	-6.14
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CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL250004644685	1	42	0.0	-9.74	297.29	4.38	-5.36
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COC1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644688	1	43	0.0	-13.16	323.38	3.62	-9.54
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CCN1C=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004644694	1	39	0.0	-15.71	316.60	3.71	-12.00
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CC(C)N1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004644696	1	39	0.0	-14.62	309.75	3.13	-11.49
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CO1	REAL250004644697	1	33	0.0	-12.55	270.63	2.96	-9.59
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CC(=O)CC(C)(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644702	1	43	0.0	-15.84	320.73	4.56	-11.28
CC(=O)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004644703	1	37	0.0	-18.86	299.30	1.81	-17.05
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CC[C@H]1CC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644707	1	45	0.0	-10.23	332.48	5.75	-4.48
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CC(C)C1(C)CC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644709	1	42	0.0	-9.71	312.25	4.95	-4.76
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CC(C)C(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644714	1	41	0.0	-10.23	291.26	3.62	-6.61
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CC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CO1	REAL250004644718	1	37	0.0	-10.56	284.41	2.05	-8.51
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CC(C)C(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644720	1	35	0.0	-10.18	273.09	3.44	-6.74
CC1OC(=O)NC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644721	1	35	0.0	-20.59	274.64	-0.69	-21.28
CC(C)(CO)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644722	1	36	0.0	-10.24	271.75	-0.44	-10.68
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CC1=CN=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644726	1	38	0.0	-14.81	308.54	3.93	-10.88
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CC(C)C(C)(O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644728	1	39	0.0	-8.13	286.41	0.78	-7.35
COC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL250004644729	1	39	0.0	-12.75	294.98	3.43	-9.32
CN1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL250004644730	1	37	0.0	-12.01	294.29	1.86	-10.15
COC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL250004644731	1	43	0.0	-8.11	312.93	3.79	-4.32
CC1(C)CCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644732	1	42	0.0	-9.88	306.55	4.96	-4.92
CCOC1CC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004644733	1	43	0.0	-11.13	335.35	4.08	-7.05
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CN1C=NC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644735	1	36	0.0	-18.12	292.03	4.15	-13.97
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CNC(=O)C1	REAL250004644736	1	37	0.0	-13.55	284.04	-0.28	-13.83
CC(C)(O)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644737	1	39	0.0	-10.54	302.15	0.87	-9.67
CN1N=CC=C1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644738	1	39	0.0	-13.25	313.91	3.41	-9.84
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CC1=CN=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644742	1	38	0.0	-14.60	304.34	3.78	-10.82
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CC1CCCC1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644744	1	42	0.0	-10.47	309.87	5.13	-5.34
CN1C(=O)CCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644745	1	37	0.0	-19.74	295.45	2.31	-17.43
CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CO1	REAL250004644746	1	32	0.0	-10.07	265.61	0.64	-9.43
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL250004644747	1	39	0.0	-11.56	305.94	5.43	-6.13
C[C@H](NC(N)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644748	1	35	0.0	-12.43	282.18	-2.44	-14.87
CC(=O)OC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644749	1	38	0.0	-12.45	289.41	3.57	-8.88
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CC1=CC(C)=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004644751	1	38	0.0	-10.30	305.01	4.39	-5.91
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CN1C=C(C(O)C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004644753	1	37	0.0	-16.47	298.79	0.39	-16.08
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CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C#N	REAL250004644758	1	37	0.0	-15.48	307.13	4.91	-10.57
CCOCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644759	1	40	0.0	-13.49	317.61	3.19	-10.30
CC1CC(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004644760	1	40	0.0	-12.87	299.78	3.51	-9.36
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CCC1CCCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644762	1	45	0.0	-9.10	318.56	5.42	-3.68
CC1CCC(O)(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004644763	1	43	0.0	-8.01	312.41	1.86	-6.15
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CCCC(C)(CC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644765	1	44	0.0	-10.62	314.11	4.53	-6.09
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CSCC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644767	1	39	0.0	-9.39	302.25	3.81	-5.58
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CCCCC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644770	1	41	0.0	-10.48	311.84	4.72	-5.76
CC(CC(N)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644771	1	36	0.0	-11.41	285.08	-0.65	-12.06
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(C=O)N1	REAL250004644772	1	36	0.0	-14.31	296.98	2.15	-12.16
CN1N=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644773	1	32	0.0	-11.93	259.36	0.34	-11.59
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COC(C)(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644775	1	39	0.0	-11.76	294.72	3.31	-8.45
CNC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004644776	1	37	0.0	-12.46	297.52	1.93	-10.53
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CC1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)NC=N1	REAL250004644778	1	36	0.0	-17.55	292.62	3.12	-14.43
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CC1=C(C)SC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL250004644780	1	35	0.0	-9.13	294.41	3.35	-5.78
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(C#N)O1	REAL250004644781	1	34	0.0	-10.99	290.07	3.46	-7.53
CC(C)(C#N)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644782	1	36	0.0	-10.48	284.71	3.58	-6.90
CCC(C)(OC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644783	1	39	0.0	-13.76	287.33	2.69	-11.07
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CC1(C)CCC(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004644785	1	40	0.0	-14.32	305.97	3.84	-10.48
CCN1C=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004644786	1	36	0.0	-10.13	286.66	4.21	-5.92
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CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1(F)F	REAL250004645066	1	33	0.0	-8.81	272.80	3.22	-5.59
CN1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1=O	REAL250004645067	1	40	0.0	-14.89	309.02	2.45	-12.44
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)N1C=CC=N1	REAL250004645068	1	39	0.0	-12.68	309.23	3.52	-9.16
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CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1F	REAL250004645078	1	33	0.0	-9.97	265.74	3.18	-6.79
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CC[C@@H]1[C@@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC[N@H+]1C	REAL250004645085	1	44	0.0	-64.24	322.94	4.67	-59.57
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=NC=C1	REAL250004645086	1	38	0.0	-13.10	302.23	3.73	-9.37
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COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004645110	1	34	0.0	-9.44	281.64	2.61	-6.83
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CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645111	1	44	0.0	-57.41	324.71	4.49	-52.92
COC(OC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645115	1	34	0.0	-12.84	267.52	1.17	-11.67
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CC(=CC1=CC=CC=N1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645120	1	39	0.0	-11.57	316.51	5.23	-6.34
CC(=CC1=CC=CN=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645121	1	39	0.0	-11.62	314.91	4.23	-7.39
CC(=CC1=CC=CO1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645122	1	37	0.0	-11.16	302.13	4.34	-6.82
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CC1(C)OCC2CC21C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645140	1	41	0.0	-9.76	308.35	2.87	-6.89
CC(=CC(=O)N1CCN(C2=NNN=N2)CC1)C(C)(C)C	REAL250004645141	1	42	0.0	-9.17	315.39	5.02	-4.15
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CC(C)(O)C(O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645148	1	37	0.0	-12.01	280.87	-1.61	-13.62
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC(=O)C1	REAL250004645149	1	35	0.0	-12.49	275.37	2.59	-9.90
CCC(O)C(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645150	1	39	0.0	-13.94	300.50	0.74	-13.20
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CC(=CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CO1	REAL250004645153	1	37	0.0	-10.28	300.69	4.41	-5.87
CC=CC(O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645154	1	34	0.0	-10.79	272.29	1.07	-9.72
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCNC1=O	REAL250004645155	1	37	0.0	-10.18	279.66	-0.25	-10.43
CC1=CC=NC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645156	1	38	0.0	-14.60	304.29	3.75	-10.85
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COC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCOC1	REAL250004645160	1	41	0.0	-11.93	312.51	1.93	-10.00
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COCCCOCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645162	1	43	0.0	-11.43	342.97	2.00	-9.43
CC1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)OC=C1	REAL250004645163	1	36	0.0	-14.44	293.57	3.84	-10.60
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)N1C=CC=N1	REAL250004645164	1	39	0.0	-11.56	295.80	3.66	-7.90
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CCCCC(C)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645166	1	41	0.0	-8.42	312.85	4.61	-3.81
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COC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCC1	REAL250004645170	1	43	0.0	-11.59	324.21	4.69	-6.90
CC(CC1=CC=CO1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645171	1	39	0.0	-10.28	310.78	4.37	-5.91
CC1(C)CCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645172	1	39	0.0	-9.80	291.26	4.26	-5.54
CC[C@@H]1CCO[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645173	1	40	0.0	-13.75	297.76	3.82	-9.93
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1CCCO1	REAL250004645174	1	43	0.0	-9.91	324.30	3.73	-6.18
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CC1=CCC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004645179	1	43	0.0	-10.87	311.71	4.93	-5.94
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645180	1	43	0.0	-9.50	333.11	3.87	-5.63
O=C(C1=NC=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL250004645181	1	32	0.0	-13.82	268.80	3.07	-10.75
CC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004645182	1	32	0.0	-10.95	265.78	-0.12	-11.07
CC1=COC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645183	1	33	0.0	-12.90	269.23	2.85	-10.05
COCC(OC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645184	1	37	0.0	-12.61	294.42	1.17	-11.44
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645185	0	38	0.0	-58.83	289.00	3.71	-55.12
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645185	1	38	0.0	-60.64	282.22	3.34	-57.30
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645186	0	38	0.0	-57.86	282.34	3.33	-54.53
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645186	1	38	0.0	-57.37	285.07	3.58	-53.79
C[C@H](C(=O)N1CCN(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004645187	0	37	0.0	-57.71	278.94	3.11	-54.60
CCC(C)(C)C(O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645188	1	42	0.0	-10.00	300.88	2.25	-7.75
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CC1=NN(CC(=O)N2CCN(C3=NNN=N3)CC2)C(=O)O1	REAL250004645190	1	35	0.0	-20.01	296.59	-0.14	-20.15
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CO1	REAL250004645191	1	39	0.0	-10.46	311.07	4.56	-5.90
CN1CCC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL250004645192	1	40	0.0	-10.43	301.64	2.05	-8.38
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645193	0	42	0.0	-61.20	304.15	0.56	-60.64
C[N@H+]1CC(O)CC1(C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645193	1	42	0.0	-57.55	300.52	-0.13	-57.68
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CCOC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL250004645196	1	40	0.0	-13.29	310.33	4.42	-8.87
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CC1=C[NH+]=CN1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645203	1	36	0.0	-61.59	292.29	5.12	-56.47
CN1N=CC(Cl)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645204	1	33	0.0	-10.45	290.63	2.41	-8.04
CCOC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL250004645205	1	40	0.0	-8.05	307.08	3.37	-4.68
CCC(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645206	1	32	0.0	-6.94	261.65	2.85	-4.09
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CCCCC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL250004645208	1	47	0.0	-9.87	340.37	5.96	-3.91
CCN1C=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004645209	1	36	0.0	-12.29	291.70	5.05	-7.24
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CN1C=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL250004645213	1	33	0.0	-13.19	285.20	2.94	-10.25
O=C(C1=C(Cl)SC=C1)N1CCN(C2=NNN=N2)CC1	REAL250004645214	1	30	0.0	-12.17	273.32	3.59	-8.58
CC1=NC=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645215	1	34	0.0	-11.71	281.67	0.94	-10.77
C=C1CC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004645216	1	37	0.0	-10.02	285.79	4.00	-6.02
O=C(C1CC2(CC2)C1)N1CCN(C2=NNN=N2)CC1	REAL250004645217	1	37	0.0	-10.89	290.25	4.66	-6.23
CN1C=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL250004645218	1	38	0.0	-15.42	310.43	2.35	-13.07
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O=C([C@H]1COC(=O)N1)N1CCN(C2=NNN=N2)CC1	REAL250004645220	1	32	0.0	-21.34	263.64	-1.43	-22.77
CN1C(=O)NCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645221	1	36	0.0	-20.86	287.29	-0.29	-21.15
C[C@@H](C(=O)N1CCN(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004645222	0	37	0.0	-60.22	279.30	3.15	-57.07
CCC(C)(C)C(=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645223	1	40	0.0	-6.34	301.35	3.54	-2.80
O=C([C@H]1C[C@@H](O)C1)N1CCN(C2=NNN=N2)CC1	REAL250004645224	1	34	0.0	-14.52	269.52	-0.12	-14.64
CC1C[N@H+](C)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004645225	1	42	0.0	-70.48	310.91	3.77	-66.71
CC1C[N@@H+](C)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL250004645225	1	42	0.0	-67.80	311.38	3.38	-64.42
C[N@@H+]1CCCC1CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645226	0	44	0.0	-63.78	330.93	5.34	-58.44
C[N@H+]1CCCC1CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645226	1	44	0.0	-63.57	327.34	5.20	-58.37
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CC1=CC=NN1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645229	1	36	0.0	-17.29	293.36	2.87	-14.42
CC(Cl)=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645230	1	30	0.0	-12.07	256.73	3.16	-8.91
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C[N@H+](CC(=O)N1CCN(C2=NN=N[N-]2)CC1)CC(C)(C)C	REAL250004645232	0	46	0.0	-60.71	331.42	5.21	-55.50
C[N@@H+](CC(=O)N1CCN(C2=NN=N[N-]2)CC1)CC(C)(C)C	REAL250004645232	1	46	0.0	-60.82	333.37	5.36	-55.46
CN1C=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC1=O	REAL250004645233	1	35	0.0	-20.13	287.15	3.43	-16.70
CN1CCOC(C(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL250004645234	1	38	0.0	-15.28	295.55	1.33	-13.95
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=N2)CC1	REAL250004645235	1	39	0.0	-9.50	314.91	4.46	-5.04
C=C(CC[NH+](C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645236	0	41	0.0	-60.68	322.48	4.52	-56.16
C=C(CC[NH+](C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645236	1	41	0.0	-60.66	322.65	4.51	-56.15
CC1=NN=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004645237	1	37	0.0	-14.87	305.75	-1.21	-16.08
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CN=CC=N1	REAL250004645242	1	37	0.0	-14.81	296.28	1.59	-13.22
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CCC(CC(=O)N1CCN(C2=NNN=N2)CC1)C(C)(C)C	REAL250004645247	1	47	0.0	-9.02	331.66	5.36	-3.66
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CC1=NC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004645256	1	35	0.0	-17.35	289.66	0.67	-16.68
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C[NH+]1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL250004645259	0	41	0.0	-67.33	307.59	4.38	-62.95
O=C(C1=NC=CN=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL250004645260	1	31	0.0	-13.30	272.20	1.53	-11.77
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CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)N(C)C1=O	REAL250004645262	1	37	0.0	-16.11	306.03	2.93	-13.18
CC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1C	REAL250004645263	1	36	0.0	-12.26	284.97	2.91	-9.35
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CC[C@@H](C(=O)N1CCN(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004645265	0	40	0.0	-58.17	288.75	3.65	-54.52
CC[C@H](C(=O)N1CCN(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004645266	0	40	0.0	-56.39	291.72	3.75	-52.64
CCOC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL250004645267	1	42	0.0	-13.07	317.24	4.11	-8.96
CC(=O)N[C@@H](C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL250004645268	1	42	0.0	-10.56	315.20	1.69	-8.87
CC(C)[C@H](NC=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645269	1	39	0.0	-10.64	291.15	0.78	-9.86
CC(=O)N1CCC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645270	1	40	0.0	-18.73	311.60	2.68	-16.05
CN(C)C(=O)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645271	1	39	0.0	-11.84	309.25	2.37	-9.47
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NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004645274	1	38	0.0	-27.18	302.85	0.15	-27.03
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CCC(NC(C)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645276	1	39	0.0	-10.89	303.03	0.96	-9.93
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CN1C(=O)OCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645279	1	35	0.0	-20.46	279.91	1.14	-19.32
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CC(C)C1=NOC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645281	1	38	0.0	-12.94	307.21	3.59	-9.35
CC1=CC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL250004645282	1	36	0.0	-9.82	297.39	4.52	-5.30
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CC1OC(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)C1C	REAL250004645286	1	43	0.0	-12.87	320.92	3.20	-9.67
CCOC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645287	1	39	0.0	-13.76	289.67	2.96	-10.80
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CC1C(C(=O)N2CCN(C3=NNN=N3)CC2)C1C1CC1	REAL250004645294	1	40	0.0	-10.30	314.08	5.62	-4.68
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CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC2CCC1C2	REAL250004645296	1	43	0.0	-10.97	303.89	4.77	-6.20
CCC(C#N)(CC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645297	1	39	0.0	-10.23	295.97	3.21	-7.02
CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645298	1	40	0.0	-19.67	312.20	2.69	-16.98
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CC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)O1	REAL250004645301	1	40	0.0	-11.61	305.77	2.78	-8.83
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C(C)(C)C	REAL250004645306	1	47	0.0	-10.04	329.50	5.06	-4.98
COCC=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645307	1	34	0.0	-12.80	278.09	1.70	-11.10
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CC1=CC(F)=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645310	1	35	0.0	-10.06	286.93	2.76	-7.30
COC1=NSC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645311	1	33	0.0	-15.06	284.53	0.19	-14.87
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CC1=CON=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645317	1	32	0.0	-10.37	261.89	2.56	-7.81
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CC1(CCCC(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL250004645324	1	38	0.0	-15.65	307.42	-0.51	-16.16
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CCC1CCCC1(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645332	1	45	0.0	-8.92	318.14	5.17	-3.75
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NC1=NN=C(CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL250004645341	1	33	0.0	-17.81	287.67	0.31	-17.50
NC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL250004645342	1	34	0.0	-11.86	277.08	1.00	-10.86
CCCC(CC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645343	1	41	0.0	-10.22	311.05	4.64	-5.58
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CCN1C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL250004645346	1	40	0.0	-11.61	314.29	5.10	-6.51
CC1=COC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004645347	1	33	0.0	-10.45	270.53	2.98	-7.47
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC(F)(F)C1	REAL250004645348	1	36	0.0	-10.50	282.54	3.60	-6.90
CC(C)OC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL250004645349	1	43	0.0	-8.43	321.01	4.01	-4.42
C[C@@]1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC(=O)N1	REAL250004645350	1	37	0.0	-13.04	284.65	0.67	-12.37
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645351	1	39	0.0	-15.06	306.69	4.48	-10.58
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CCC1=NN(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004645353	1	39	0.0	-11.47	308.10	3.11	-8.36
NC1=CC=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004645354	1	34	0.0	-10.97	277.39	0.99	-9.98
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CC1=CN(C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645361	1	37	0.0	-14.55	297.24	4.33	-10.22
COC1=NC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL250004645362	1	35	0.0	-10.08	288.94	0.07	-10.01
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CC1COC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004645364	1	37	0.0	-13.81	285.38	3.06	-10.75
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CC[N@@H+]1CCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645370	1	38	0.0	-59.66	283.34	3.25	-56.41
CC[N@H+]1CCC1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645370	1	38	0.0	-60.02	294.75	3.78	-56.24
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CC1(C)COC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004645373	1	43	0.0	-13.67	328.83	4.17	-9.50
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CC(CC[NH+](C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645377	0	43	0.0	-64.52	322.06	4.54	-59.98
CC(CC[NH+](C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645377	1	43	0.0	-64.49	322.22	4.53	-59.96
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CCCCC(O)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645379	1	45	0.0	-10.45	349.34	2.74	-7.71
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CC1=CN=C(F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645383	1	35	0.0	-10.28	286.98	2.85	-7.43
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCO1	REAL250004645384	1	40	0.0	-13.13	304.66	2.74	-10.39
NC1=NN(CC(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL250004645385	1	33	0.0	-19.30	278.87	0.72	-18.58
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COC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCSC1	REAL250004645389	1	38	0.0	-9.70	293.62	2.56	-7.14
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645390	1	36	0.0	-17.45	294.57	3.71	-13.74
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CC[C@@H]1OCC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645440	1	40	0.0	-12.03	303.35	2.77	-9.26
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CC(C)(C)[NH2+]CCC(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645443	1	43	0.0	-65.81	324.26	3.16	-62.65
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CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC=CC1	REAL250004645449	1	37	0.0	-10.73	276.51	3.87	-6.86
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CC(C)CC1(C(=O)N2CCN(C3=NNN=N3)CC2)COC1	REAL250004645457	1	43	0.0	-12.82	317.24	2.57	-10.25
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CC1=NOC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004645459	1	38	0.0	-12.90	310.58	4.04	-8.86
CC1(C)C(CC(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL250004645460	1	45	0.0	-10.39	335.21	5.71	-4.68
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CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CN=N1	REAL250004645463	1	34	0.0	-14.40	278.37	1.81	-12.59
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CC[C@H](C)[C@H](O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645465	1	39	0.0	-10.00	288.93	1.48	-8.52
CC(C)CC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL250004645466	1	47	0.0	-9.62	334.18	5.42	-4.20
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CC(C[NH+](C)C)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645469	0	40	0.0	-64.22	302.68	3.99	-60.23
CC(C[NH+](C)C)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL250004645469	1	40	0.0	-64.13	302.85	3.98	-60.15
C[NH+](C)CC=CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645470	0	38	0.0	-67.30	299.70	4.06	-63.24
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CC1(OCC(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL250004645475	1	43	0.0	-13.55	325.84	4.88	-8.67
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1F	REAL250004645476	1	35	0.0	-9.47	289.06	3.67	-5.80
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CC1(C)CC(C(=O)N2CCN(C3=NNN=N3)CC2)CCO1	REAL250004645479	1	43	0.0	-12.16	318.73	3.25	-8.91
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COC1CCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645481	1	40	0.0	-9.85	307.68	2.90	-6.95
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CCN1C(=O)NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645505	1	37	0.0	-15.28	305.00	1.80	-13.48
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COC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004645507	1	37	0.0	-13.58	293.24	2.89	-10.69
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CC1=NSC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004645509	1	32	0.0	-10.11	273.82	2.30	-7.81
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CC1(C)OC[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004645656	1	38	0.0	-13.06	298.59	2.26	-10.80
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CC(C)C1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CO1	REAL250004645658	1	38	0.0	-9.28	307.59	1.99	-7.29
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CC(C)CC(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645697	1	38	0.0	-10.70	295.52	4.09	-6.61
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C[NH+](C)CCSCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL250004645705	0	41	0.0	-67.98	330.44	4.80	-63.18
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CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C	REAL250004645707	1	35	0.0	-17.02	284.74	2.81	-14.21
CCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1	REAL250004645708	1	37	0.0	-11.33	294.92	3.66	-7.67
CN1NC(=O)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645709	1	34	0.0	-13.88	280.52	-0.09	-13.97
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CCC1(C)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004645712	1	40	0.0	-11.06	306.66	4.90	-6.16
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CC1(C)CC(O)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004645716	1	40	0.0	-8.42	305.10	1.61	-6.81
CCC(F)(F)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645718	1	35	0.0	-16.70	284.08	3.77	-12.93
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CC(C)[C@@H]1C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645727	1	39	0.0	-10.46	304.12	4.80	-5.66
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CC12CC(C(=O)N3CCN(C4=NNN=N4)CC3)(C1)CO2	REAL250004645731	1	38	0.0	-10.41	292.54	2.23	-8.18
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CC(C)C1CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004645745	1	42	0.0	-10.47	319.82	5.26	-5.21
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CC1=CC=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL250004645748	1	34	0.0	-14.82	281.01	2.54	-12.28
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CC(C)(CC#N)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645750	1	36	0.0	-11.15	279.46	2.95	-8.20
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CC(C)(C)C(=O)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645756	1	43	0.0	-9.96	334.35	4.61	-5.35
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CCC1=NOC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004645821	1	35	0.0	-8.57	286.56	2.89	-5.68
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645822	1	45	0.0	-9.89	327.32	5.47	-4.42
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCOC1	REAL250004645828	1	40	0.0	-11.16	303.90	2.44	-8.72
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CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1	REAL250004645835	1	34	0.0	-11.81	273.37	2.92	-8.89
CCCOCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645836	1	42	0.0	-13.30	330.80	3.70	-9.60
CN1N=CC(C#N)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645837	1	34	0.0	-13.35	295.37	2.15	-11.20
CC(C)C(C)C(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645838	1	47	0.0	-9.46	337.33	5.57	-3.89
CO[C@@H]1C[C@@]2(C(=O)N3CCN(C4=NNN=N4)CC3)C[C@@H]12	REAL250004645839	1	38	0.0	-13.87	302.41	2.87	-11.00
CC1(C)CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CO1	REAL250004645840	1	43	0.0	-9.16	317.74	3.22	-5.94
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CC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CCCO1	REAL250004645843	1	40	0.0	-10.88	299.50	3.82	-7.06
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COCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1	REAL250004645847	1	38	0.0	-12.69	305.98	2.06	-10.63
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CC1=NN(C)C(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004645849	1	39	0.0	-17.93	314.44	3.16	-14.77
CCC(C)CC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645850	1	44	0.0	-10.47	325.61	5.10	-5.37
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CC1(C)CC2(CC2C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004645852	1	43	0.0	-10.12	329.86	5.85	-4.27
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C=C1CC(C(=O)N2CCN(C3=NNN=N3)CC2)(C(F)F)C1	REAL250004645854	1	37	0.0	-11.41	295.47	4.09	-7.32
O=C([C@H]1CC1(F)F)N1CCN(C2=NNN=N2)CC1	REAL250004645855	1	30	0.0	-14.16	253.45	3.01	-11.15
CC12CC(CC(=O)N3CCN(C4=NNN=N4)CC3)(C1)CO2	REAL250004645856	1	41	0.0	-14.32	314.89	3.28	-11.04
C[C@@H]1C[C@@]2(C(=O)N3CCN(C4=NNN=N4)CC3)C[C@@H]12	REAL250004645857	1	37	0.0	-10.84	289.30	4.51	-6.33
CC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C#N	REAL250004645858	1	36	0.0	-11.06	302.96	3.15	-7.91
O=C([C@@H]1CCC(=O)O1)N1CCN(C2=NNN=N2)CC1	REAL250004645859	1	33	0.0	-22.89	267.10	3.24	-19.65
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O=C(C(F)C1CCOC1)N1CCN(C2=NNN=N2)CC1	REAL250004645861	1	37	0.0	-13.25	288.50	2.15	-11.10
CCC1(C)CCC(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004645862	1	43	0.0	-14.42	322.66	4.45	-9.97
O=C(C1CC2(CCC2)CO1)N1CCN(C2=NNN=N2)CC1	REAL250004645863	1	41	0.0	-14.13	312.41	4.26	-9.87
O=C(C1CC2(CC(F)C2)C1)N1CCN(C2=NNN=N2)CC1	REAL250004645864	1	40	0.0	-11.60	313.36	5.23	-6.37
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[N-]=[N+]=N[C@H]1C[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004645867	1	35	0.0	-9.11	288.67	-0.04	-9.15
[N-]=[N+]=NC1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004645868	1	38	0.0	-12.80	301.77	0.41	-12.39
COC1=CN=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004645869	1	35	0.0	-10.44	286.63	0.95	-9.49
C[C@H]1C(C(=O)N2CCN(C3=NNN=N3)CC2)[C@H]1C	REAL250004645870	1	36	0.0	-10.41	279.88	4.04	-6.37
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645871	1	36	0.0	-9.91	295.74	4.36	-5.55
CC1CC(=O)NCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645872	1	40	0.0	-14.59	307.79	1.00	-13.59
CC1(C)C(C)(C)C1(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645873	1	42	0.0	-8.78	310.24	4.49	-4.29
COC1(C#N)CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004645874	1	38	0.0	-12.48	309.67	2.35	-10.13
C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645875	1	37	0.0	-13.47	278.51	1.74	-11.73
CC1(C)CC(CC(=O)N2CCN(C3=NNN=N3)CC2)CO1	REAL250004645876	1	43	0.0	-13.40	328.36	3.64	-9.76
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CC(C)CCCOCC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004645927	1	45	0.0	-13.05	348.87	5.30	-7.75
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CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CN1C	REAL250004645929	1	37	0.0	-12.43	293.37	4.14	-8.29
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CC[N@@H+]1CCCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL250004645931	0	44	0.0	-56.49	316.38	5.06	-51.43
CC[N@H+]1CCCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL250004645931	1	44	0.0	-56.49	316.38	5.06	-51.43
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C[NH+]1CCC2(CCN2C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004645949	1	42	0.0	-58.67	318.26	4.82	-53.85
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O=C(CCCC[NH+]1CCCC1)NC1(C2=NN=N[N-]2)CC1	REAL250004646586	1	42	0.0	-64.36	332.93	4.26	-60.10
C[N@H+](CC(=O)NC1(C2=NN=N[N-]2)CC1)CC1=CC=CC=C1	REAL250004646607	1	39	0.0	-58.49	319.87	4.65	-53.84
C[N@@H+](CC(=O)NC1(C2=NN=N[N-]2)CC1)CC1=CC=CC=C1	REAL250004646607	1	39	0.0	-58.78	319.50	4.66	-54.12
C#CC[NH+]1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004646615	0	38	0.0	-66.97	312.75	3.91	-63.06
O=C(CC[NH+]1CCOCC1)NC1(C2=NN=N[N-]2)CC1	REAL250004646657	1	37	0.0	-64.12	298.80	1.05	-63.07
CC1=[NH+]C=CN1CCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004646684	1	37	0.0	-58.86	314.12	3.95	-54.91
CC1=[NH+]C=CN1CCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004646684	1	37	0.0	-58.84	314.19	3.96	-54.88
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)[NH+]1C(C)CCC1C	REAL250004646688	0	42	0.0	-50.67	312.35	3.22	-47.45
CCC[NH+](CCC)CCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004646709	0	47	0.0	-63.62	361.02	4.97	-58.65
CCC[NH+](CCC)CCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004646709	1	47	0.0	-63.65	361.09	4.98	-58.67
C[NH+](C)CCCCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004646735	0	38	0.0	-67.38	308.82	3.17	-64.21
C[NH+](C)CCCCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004646735	1	38	0.0	-67.35	308.89	3.18	-64.17
CCCCCC[N@H+](C)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004646737	0	44	0.0	-56.16	346.94	4.81	-51.35
CCCCCC[N@@H+](C)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004646737	1	44	0.0	-56.20	346.94	4.81	-51.39
CC(C(=O)NC1(C2=N[N-]N=N2)CC1)N1CC[NH+](C)CC1	REAL250004646756	1	41	0.0	-65.23	315.08	0.70	-64.53
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)N1CC[NH+](C)CC1	REAL250004646756	1	41	0.0	-65.21	315.15	0.73	-64.48
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)[NH+]1CCCCCC1	REAL250004646788	0	42	0.0	-52.79	313.07	3.42	-49.37
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004646797	1	40	0.0	-54.87	328.61	4.19	-50.68
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004646797	1	40	0.0	-54.91	328.67	4.21	-50.70
CC[N@@H+]1CCOC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004646804	1	37	0.0	-65.47	297.23	2.13	-63.34
CC[N@H+]1CCOC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004646804	1	37	0.0	-70.99	298.10	2.14	-68.85
CC1CCC(C)[NH+]1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004646856	0	39	0.0	-51.96	299.84	2.95	-49.01
C[NH+](C)CC1=CC=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004646874	0	39	0.0	-68.91	320.40	4.52	-64.39
C[NH+](C)CC1=CC=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004646874	1	39	0.0	-68.91	320.47	4.54	-64.37
CC[NH+]1CCN(CCC(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004646875	0	44	0.0	-66.29	341.32	1.71	-64.58
CC[NH+]1CCN(CCC(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004646875	1	44	0.0	-66.28	341.40	1.73	-64.55
C[NH+]1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004646881	0	36	0.0	-66.78	286.22	2.72	-64.06
C[NH+]1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004646881	1	36	0.0	-66.76	286.29	2.73	-64.03
CC[NH+](CC)CCSCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004646882	0	42	0.0	-67.40	345.60	4.35	-63.05
CC[NH+](CC)CCSCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004646882	1	42	0.0	-67.41	345.67	4.34	-63.07
CCC(C(=O)NC1(C2=N[N-]N=N2)CC1)[NH+](CC)CC	REAL250004646890	0	41	0.0	-51.92	304.99	3.15	-48.77
CCC(C(=O)NC1(C2=NN=N[N-]2)CC1)[NH+](CC)CC	REAL250004646890	1	41	0.0	-51.90	305.06	3.15	-48.75
C[N@@H+]1CCCC[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004646933	1	36	0.0	-57.92	283.27	2.49	-55.43
C[N@H+]1CCCC[C@H]1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004646933	1	36	0.0	-59.53	275.57	2.49	-57.04
CC1CC[NH+](CC(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004647001	0	39	0.0	-55.07	305.78	3.54	-51.53
CC(C[NH+]1CCOCC1)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647093	1	40	0.0	-62.61	314.56	1.76	-60.85
C[N@H+](CC(=O)NC1(C2=NN=N[N-]2)CC1)C1CCSC1	REAL250004647114	0	37	0.0	-58.21	302.56	3.30	-54.91
C[N@@H+](CC(=O)NC1(C2=NN=N[N-]2)CC1)C1CCSC1	REAL250004647114	1	37	0.0	-61.08	302.55	3.28	-57.80
CC[N@H+](CC(=O)NC1(C2=NN=N[N-]2)CC1)C1CC1	REAL250004647129	0	36	0.0	-51.56	292.31	3.11	-48.45
CC[N@@H+](CC(=O)NC1(C2=NN=N[N-]2)CC1)C1CC1	REAL250004647129	1	36	0.0	-54.83	288.22	3.06	-51.77
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC2=C[NH+]=CN2C=C1	REAL250004647169	1	31	0.0	-69.20	273.67	4.57	-64.63
CCC(C)(C)[NH2+]C(C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647186	0	41	0.0	-52.48	308.00	1.61	-50.87
CCC(C)(C)[NH2+]C(C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647186	1	41	0.0	-52.46	308.07	1.62	-50.84
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=CC2=C[NH+]=CN21	REAL250004647207	1	34	0.0	-65.29	287.37	4.75	-60.54
C[NH+](C)CC1(C(=O)NC2(C3=N[N-]N=N3)CC2)CCCCC1	REAL250004647307	0	45	0.0	-54.17	315.40	5.29	-48.88
C[NH+](C)CC1(C(=O)NC2(C3=NN=N[N-]3)CC2)CCCCC1	REAL250004647307	1	45	0.0	-54.24	315.49	5.29	-48.95
C[N@H+](CCC(=O)NC1(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL250004647313	0	45	0.0	-60.86	341.56	4.63	-56.23
C[N@@H+](CCC(=O)NC1(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL250004647313	1	45	0.0	-60.08	341.56	4.63	-55.45
C[N@H+](CCC(=O)NC1(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL250004647313	1	45	0.0	-60.91	341.63	4.65	-56.26
C[N@@H+](CCC(=O)NC1(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL250004647313	1	45	0.0	-60.11	341.63	4.64	-55.47
O=C(CCCC[NH+]1CCOCC1)NC1(C2=N[N-]N=N2)CC1	REAL250004647426	1	43	0.0	-68.71	341.72	2.62	-66.09
O=C(CCCC[NH+]1CCOCC1)NC1(C2=NN=N[N-]2)CC1	REAL250004647426	1	43	0.0	-68.73	341.80	2.63	-66.10
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC[NH+](C2CC2)CC1	REAL250004647509	0	40	0.0	-63.38	311.07	3.91	-59.47
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC[NH+](C2CC2)CC1	REAL250004647509	1	40	0.0	-63.43	311.14	3.93	-59.50
CC(C)[N@@H+]1CCOC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004647602	1	40	0.0	-62.51	315.46	2.64	-59.87
CC(C)[N@H+]1CCOC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004647602	1	40	0.0	-68.61	314.85	2.66	-65.95
CC1=[NH+]C=C2CCC(C(=O)NC3(C4=N[N-]N=N4)CC3)CN21	REAL250004647647	1	38	0.0	-55.38	310.62	3.77	-51.61
CC1=[NH+]C=C2CCC(C(=O)NC3(C4=NN=N[N-]4)CC3)CN21	REAL250004647647	1	38	0.0	-55.39	310.69	3.77	-51.62
C[NH+](C)CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004647665	0	38	0.0	-69.13	317.34	2.68	-66.45
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN2C=[NH+]C=C2C=C1	REAL250004647670	1	31	0.0	-62.87	273.40	4.57	-58.30
CC(C)[NH+]1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004647855	0	42	0.0	-64.30	321.83	3.89	-60.41
CC(C)[NH+]1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004647855	1	42	0.0	-64.31	321.89	3.90	-60.41
C[N@H+](CC(=O)NC1(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004647873	0	36	0.0	-52.25	289.31	3.04	-49.21
C[N@@H+](CC(=O)NC1(C2=NN=N[N-]2)CC1)C1CCC1	REAL250004647873	1	36	0.0	-52.87	289.02	3.06	-49.81
O=C(NC1(C2=NN=N[N-]2)CC1)C1C[NH+](C2CCCCC2)C1	REAL250004647899	0	43	0.0	-54.10	334.67	4.40	-49.70
O=C(NC1(C2=N[N-]N=N2)CC1)C1C[NH+](C2CCCCC2)C1	REAL250004647899	1	43	0.0	-54.10	334.61	4.40	-49.70
C[NH+](C)CCN1C=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=N1	REAL250004647913	0	39	0.0	-72.00	326.68	2.55	-69.45
C[NH+](C)CCN1C=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=N1	REAL250004647913	1	39	0.0	-71.97	326.61	2.53	-69.44
C[NH+](C)CCN1C=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=N1	REAL250004647967	0	39	0.0	-79.21	327.98	2.42	-76.79
C[NH+](C)CCN1C=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=N1	REAL250004647967	1	39	0.0	-79.20	327.89	2.43	-76.77
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004647968	0	39	0.0	-68.55	312.78	3.08	-65.47
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004647968	1	39	0.0	-68.55	312.67	3.06	-65.49
CC[C@@H]1[C@@H](C(=O)NC2(C3=NN=N[N-]3)CC2)CC[N@@H+]1C	REAL250004647972	0	39	0.0	-65.28	300.29	2.62	-62.66
CC[C@@H]1[C@@H](C(=O)NC2(C3=NN=N[N-]3)CC2)CC[N@H+]1C	REAL250004647972	1	39	0.0	-61.47	303.78	3.28	-58.19
CC[C@@H]1[C@@H](C(=O)NC2(C3=N[N-]N=N3)CC2)CC[N@@H+]1C	REAL250004647972	1	39	0.0	-65.25	300.22	2.62	-62.63
CC[C@@H]1[C@@H](C(=O)NC2(C3=N[N-]N=N3)CC2)CC[N@H+]1C	REAL250004647972	1	39	0.0	-61.48	303.71	3.28	-58.20
C[C@@H]1[C@H](C(=O)NC2(C3=NN=N[N-]3)CC2)CC[N@@H+]1C	REAL250004647976	0	36	0.0	-66.15	279.73	2.38	-63.77
C[C@@H]1[C@H](C(=O)NC2(C3=NN=N[N-]3)CC2)CC[N@H+]1C	REAL250004647976	1	36	0.0	-64.93	285.41	2.49	-62.44
C[C@@H]1[C@H](C(=O)NC2(C3=N[N-]N=N3)CC2)CC[N@@H+]1C	REAL250004647976	1	36	0.0	-66.08	279.66	2.38	-63.70
C[C@@H]1[C@H](C(=O)NC2(C3=N[N-]N=N3)CC2)CC[N@H+]1C	REAL250004647976	1	36	0.0	-64.85	285.34	2.49	-62.36
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL250004648003	0	39	0.0	-62.20	316.26	1.29	-60.91
O=C(NC1(C2=N[N-]N=N2)CC1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL250004648003	1	39	0.0	-62.16	316.19	1.27	-60.89
CC(C)(C)[N@@H+]1CCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648024	1	39	0.0	-54.71	304.84	2.82	-51.89
CC(C)(C)[N@H+]1CCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648024	1	39	0.0	-56.69	304.83	2.75	-53.94
O=C(NC1(C2=NN=N[N-]2)CC1)C12CC[N@H+](C1)CCC2	REAL250004648041	0	37	0.0	-65.37	284.85	2.12	-63.25
O=C(NC1(C2=NN=N[N-]2)CC1)C12CC[N@@H+](C1)CCC2	REAL250004648041	1	37	0.0	-64.83	285.45	2.13	-62.70
O=C(NC1(C2=N[N-]N=N2)CC1)C12CC[N@H+](C1)CCC2	REAL250004648041	1	37	0.0	-65.33	284.80	2.10	-63.23
O=C(NC1(C2=N[N-]N=N2)CC1)C12CC[N@@H+](C1)CCC2	REAL250004648041	1	37	0.0	-64.86	285.36	2.13	-62.73
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648059	1	40	0.0	-55.00	329.10	4.26	-50.74
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648059	1	40	0.0	-55.03	329.17	4.27	-50.76
C[NH+](C)CC1(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004648112	0	36	0.0	-50.35	290.78	3.06	-47.29
C[NH+](C)CC1(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004648112	1	36	0.0	-50.37	290.85	3.07	-47.30
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648143	1	37	0.0	-52.59	309.08	3.78	-48.81
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648143	1	37	0.0	-52.70	309.16	3.77	-48.93
O=C(NC1(C2=NN=N[N-]2)CC1)C1C[NH+](C2CCOC2)C1	REAL250004648144	1	38	0.0	-63.19	308.55	1.45	-61.74
O=C(NC1(C2=NN=N[N-]2)CC1)C1C[NH+](C2CCOCC2)C1	REAL250004648148	0	41	0.0	-57.83	325.94	2.02	-55.81
O=C(NC1(C2=N[N-]N=N2)CC1)C1C[NH+](C2CCOCC2)C1	REAL250004648148	1	41	0.0	-57.81	325.88	2.01	-55.80
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2CCCC[N@@H+]21	REAL250004648159	0	40	0.0	-58.29	304.95	3.53	-54.76
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCC2CCCC[N@H+]21	REAL250004648159	1	40	0.0	-52.19	310.73	3.94	-48.25
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCC2CCC[N@@H+]21	REAL250004648217	0	40	0.0	-58.17	299.67	3.63	-54.54
O=C(NC1(C2=NN=N[N-]2)CC1)C1CCCC2CCC[N@H+]21	REAL250004648217	1	40	0.0	-56.03	298.00	3.51	-52.52
CC1C[N@H+](C)CC(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648218	1	37	0.0	-74.04	301.45	2.22	-71.82
CC1C[N@@H+](C)CC(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648218	1	37	0.0	-49.87	294.76	1.95	-47.92
C[N@@H+]1CCCC1CCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648220	0	39	0.0	-62.12	303.79	2.80	-59.32
C[N@H+]1CCCC1CCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648220	1	39	0.0	-61.86	305.20	3.06	-58.80
C[N@@H+]1CCCC1CCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648220	1	39	0.0	-62.10	303.87	2.80	-59.30
C[N@H+]1CCCC1CCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648220	1	39	0.0	-61.88	305.27	3.06	-58.82
C[N@H+](CC(=O)NC1(C2=N[N-]N=N2)CC1)CC(C)(C)C	REAL250004648229	0	41	0.0	-56.69	310.98	3.44	-53.25
C[N@@H+](CC(=O)NC1(C2=N[N-]N=N2)CC1)CC(C)(C)C	REAL250004648229	1	41	0.0	-53.96	312.87	3.67	-50.29
C[N@H+](CC(=O)NC1(C2=NN=N[N-]2)CC1)CC(C)(C)C	REAL250004648229	1	41	0.0	-56.72	311.06	3.45	-53.27
C[N@@H+](CC(=O)NC1(C2=NN=N[N-]2)CC1)CC(C)(C)C	REAL250004648229	1	41	0.0	-53.97	312.94	3.68	-50.29
C=C(CC[NH+](C)C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648237	0	36	0.0	-67.32	297.18	2.91	-64.41
C=C(CC[NH+](C)C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648237	1	36	0.0	-67.38	297.26	2.91	-64.47
C[NH+]1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004648283	0	36	0.0	-66.78	286.22	2.72	-64.06
C[NH+]1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004648283	1	36	0.0	-66.76	286.29	2.73	-64.03
CN1CC[N@H+](C)CC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648290	0	41	0.0	-57.70	313.47	1.19	-56.51
CN1CC[N@@H+](C)CC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648290	1	41	0.0	-56.35	313.48	0.83	-55.52
CN1CC[N@H+](C)CC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648290	1	41	0.0	-57.69	313.41	1.18	-56.51
CN1CC[N@@H+](C)CC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648290	1	41	0.0	-56.38	313.41	0.81	-55.57
CNC1=[NH+]C(C)=CC=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648309	1	35	0.0	-55.53	292.50	1.96	-53.57
C[N@@H+]1CCCC(O)(CC(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648333	0	40	0.0	-52.33	304.08	1.27	-51.06
C[N@H+]1CCCC(O)(CC(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648333	1	40	0.0	-53.55	312.73	1.31	-52.24
C[N@@H+]1CCCC(O)(CC(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648333	1	40	0.0	-52.29	304.15	1.27	-51.02
C[N@H+]1CCCC(O)(CC(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648333	1	40	0.0	-53.57	312.96	1.30	-52.27
C[N@@H+]1CCCCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648395	1	36	0.0	-59.01	285.54	2.43	-56.58
C[N@H+]1CCCCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648395	1	36	0.0	-51.02	285.42	2.63	-48.39
O=C(CC[N@H+]1CCC(F)C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648507	0	36	0.0	-65.07	296.55	2.86	-62.21
O=C(CC[N@@H+]1CCC(F)C1)NC1(C2=NN=N[N-]2)CC1	REAL250004648507	1	36	0.0	-63.02	297.26	2.81	-60.21
C[NH+](C)CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)O1	REAL250004648511	1	36	0.0	-72.06	307.86	2.72	-69.34
CC(C)[N@@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648512	0	42	0.0	-57.86	321.87	3.72	-54.14
CC(C)[N@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648512	1	42	0.0	-52.88	315.64	4.03	-48.85
CC(C)[N@@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648512	1	42	0.0	-57.83	321.78	3.72	-54.11
CC(C)[N@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648512	1	42	0.0	-52.82	315.57	4.03	-48.79
CCC[N@@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648513	0	42	0.0	-48.89	318.54	4.25	-44.64
CCC[N@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648513	1	42	0.0	-53.04	320.52	4.26	-48.78
CCC[N@@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648513	1	42	0.0	-48.84	318.46	4.26	-44.58
CCC[N@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648513	1	42	0.0	-53.01	320.45	4.26	-48.75
CC(CC[NH+](C)C)C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648514	0	38	0.0	-62.60	302.98	2.93	-59.67
CC(CC[NH+](C)C)C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648514	1	38	0.0	-62.67	303.05	2.94	-59.73
C[N@H+](CC(=O)NC1(C2=NN=N[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL250004648554	0	40	0.0	-50.18	313.75	0.31	-49.87
C[N@@H+](CC(=O)NC1(C2=NN=N[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL250004648554	1	40	0.0	-52.61	314.29	0.14	-52.47
O=C(C[NH+]1CCC(CO)CC1)NC1(C2=NN=N[N-]2)CC1	REAL250004648572	1	40	0.0	-61.33	317.03	0.23	-61.10
CC1CN2CC[N@@H+]1CC2C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648576	0	39	0.0	-70.23	295.95	0.04	-70.19
CC1CN2CC[N@H+]1CC2C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648576	1	39	0.0	-59.89	295.69	0.02	-59.87
CC1CN2CC[N@@H+]1CC2C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648576	1	39	0.0	-70.19	295.88	0.02	-70.17
CC1CN2CC[N@H+]1CC2C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648576	1	39	0.0	-59.86	295.62	0.01	-59.85
CC(C)C[NH+]1CCC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004648592	0	45	0.0	-65.79	344.10	4.79	-61.00
CC(C)C[NH+]1CCC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004648592	1	45	0.0	-65.75	344.17	4.80	-60.95
CC1CC2CCC(C(=O)NC3(C4=NN=N[N-]4)CC3)C[N@@H+]2C1	REAL250004648610	0	43	0.0	-50.46	325.44	4.62	-45.84
CC1CC2CCC(C(=O)NC3(C4=NN=N[N-]4)CC3)C[N@H+]2C1	REAL250004648610	1	43	0.0	-58.58	331.60	4.37	-54.21
CC1CC2CCC(C(=O)NC3(C4=N[N-]N=N4)CC3)C[N@@H+]2C1	REAL250004648610	1	43	0.0	-50.47	325.37	4.62	-45.85
CC1CC2CCC(C(=O)NC3(C4=N[N-]N=N4)CC3)C[N@H+]2C1	REAL250004648610	1	43	0.0	-58.54	331.54	4.37	-54.17
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL250004648615	0	43	0.0	-65.35	314.08	3.67	-61.68
O=C(NC1(C2=NN=N[N-]2)CC1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL250004648615	1	43	0.0	-47.81	317.38	4.56	-43.25
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL250004648615	1	43	0.0	-65.35	313.99	3.67	-61.68
O=C(NC1(C2=N[N-]N=N2)CC1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL250004648615	1	43	0.0	-47.79	317.32	4.55	-43.24
CC(C)[N@@H+]1CCCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648638	0	39	0.0	-52.54	305.24	3.28	-49.26
CC(C)[N@H+]1CCCC1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648638	1	39	0.0	-60.73	289.39	2.83	-57.90
CC(C)(C)[NH2+]CCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648644	0	38	0.0	-64.16	303.96	1.34	-62.82
CC(C)(C)[NH2+]CCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648644	1	38	0.0	-64.10	304.04	1.33	-62.77
C[NH+]1CCC(OCC(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004648658	0	40	0.0	-69.95	323.10	3.14	-66.81
C[NH+]1CCC(OCC(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004648658	1	40	0.0	-69.93	323.17	3.14	-66.79
C[NH+](C)CC(O)CC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648683	0	36	0.0	-67.94	296.15	0.02	-67.92
C[NH+](C)CC(O)CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648683	1	36	0.0	-68.03	296.23	0.03	-68.00
C=CCC(C(=O)NC1(C2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004648783	0	36	0.0	-54.86	287.75	2.53	-52.33
C[N@@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648793	0	36	0.0	-60.39	287.56	2.53	-57.86
C[N@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004648793	1	36	0.0	-63.00	288.28	2.55	-60.45
C[N@@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648793	1	36	0.0	-60.34	287.47	2.54	-57.80
C[N@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004648793	1	36	0.0	-62.95	288.19	2.56	-60.39
C[N@H+]1CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004648826	0	37	0.0	-61.93	302.00	3.23	-58.70
C[N@@H+]1CC=C(CC(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004648826	1	37	0.0	-59.33	301.99	3.21	-56.12
C[N@H+]1CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004648826	1	37	0.0	-61.92	302.06	3.25	-58.67
C[N@@H+]1CC=C(CC(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004648826	1	37	0.0	-59.35	302.05	3.24	-56.11
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC[N@@H+]2CCOCC12	REAL250004648903	0	38	0.0	-64.64	300.88	1.35	-63.29
O=C(NC1(C2=NN=N[N-]2)CC1)C1CC[N@H+]2CCOCC12	REAL250004648903	1	38	0.0	-59.51	297.42	1.33	-58.18
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC[N@@H+]2CCOCC12	REAL250004648903	1	38	0.0	-64.65	300.82	1.33	-63.32
O=C(NC1(C2=N[N-]N=N2)CC1)C1CC[N@H+]2CCOCC12	REAL250004648903	1	38	0.0	-59.53	297.34	1.32	-58.21
C[NH+](C)CCSCC(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649136	0	36	0.0	-70.37	310.35	2.97	-67.40
C[NH+](C)CCSCC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649136	1	36	0.0	-70.35	310.42	2.96	-67.39
O=C(NC1(C2=NN=N[N-]2)CC1)C12CC(C1)C[N@@H+]2C1CC1	REAL250004649138	1	38	0.0	-59.25	300.41	3.48	-55.77
O=C(NC1(C2=NN=N[N-]2)CC1)C12CC(C1)C[N@H+]2C1CC1	REAL250004649138	1	38	0.0	-57.78	291.94	4.67	-53.11
CC1=[NH+]C=C2C=CC(C(=O)NC3(C4=NN=N[N-]4)CC3)=CN21	REAL250004649152	0	34	0.0	-59.33	294.82	4.34	-54.99
CC[N@@H+]1CCOCC1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649157	1	40	0.0	-65.45	307.33	1.37	-64.08
CC[N@H+]1CCOCC1CC(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649157	1	40	0.0	-64.16	310.94	1.53	-62.63
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004649499	0	36	0.0	-65.02	292.84	2.79	-62.23
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004649499	1	36	0.0	-65.03	292.91	2.79	-62.24
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C3=N[N-]N=N3)CC2)CC1	REAL250004649507	0	42	0.0	-46.76	313.00	3.73	-43.03
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C3=NN=N[N-]3)CC2)CC1	REAL250004649507	1	42	0.0	-46.80	313.07	3.71	-43.09
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004649544	0	45	0.0	-50.67	337.60	4.98	-45.69
CC(C)C[N@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004649544	1	45	0.0	-61.86	344.82	4.61	-57.25
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004649544	1	45	0.0	-50.70	337.54	4.98	-45.72
CC(C)C[N@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004649544	1	45	0.0	-61.87	344.74	4.62	-57.25
CC[N@@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004649545	0	39	0.0	-61.25	305.44	3.19	-58.06
CC[N@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CC2)C1	REAL250004649545	1	39	0.0	-60.54	305.94	3.20	-57.34
CC[N@@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004649545	1	39	0.0	-61.24	305.37	3.18	-58.06
CC[N@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CC2)C1	REAL250004649545	1	39	0.0	-60.52	305.84	3.21	-57.31
O=C(CCCC1=N[N-]N=N1)NCC12CC[NH+](CC1)CC2	REAL250004649548	0	42	0.0	-75.07	317.73	3.91	-71.16
O=C(CCCC1=NN=N[N-]1)NCC12CC[NH+](CC1)CC2	REAL250004649548	1	42	0.0	-75.03	317.78	3.92	-71.11
CCCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004649553	0	47	0.0	-69.69	360.45	5.15	-64.54
CCCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004649553	1	47	0.0	-69.70	360.51	5.17	-64.53
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+](C)C1	REAL250004649580	0	44	0.0	-75.77	325.87	5.62	-70.15
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+](C)C1	REAL250004649580	1	44	0.0	-78.65	326.30	5.06	-73.59
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+](C)C1	REAL250004649580	1	44	0.0	-75.78	325.93	5.63	-70.15
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+](C)C1	REAL250004649580	1	44	0.0	-78.70	326.36	5.08	-73.62
C[C@H](C[NH+](C)C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004649611	0	40	0.0	-75.46	320.22	5.87	-69.59
C[C@H](C[NH+](C)C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004649611	1	40	0.0	-75.25	320.32	5.89	-69.36
C[C@H](C[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004649612	0	37	0.0	-57.40	306.56	2.77	-54.63
C[C@H](C[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004649612	1	37	0.0	-57.42	306.63	2.78	-54.64
CC(CC1CCCC[N@@H+]1C)NC(=O)CCCC1=N[N-]N=N1	REAL250004649619	0	47	0.0	-73.75	348.49	4.74	-69.01
CC(CC1CCCC[N@H+]1C)NC(=O)CCCC1=N[N-]N=N1	REAL250004649619	1	47	0.0	-71.77	351.72	5.84	-65.93
CC(CC1CCCC[N@@H+]1C)NC(=O)CCCC1=NN=N[N-]1	REAL250004649619	1	47	0.0	-73.74	348.55	4.75	-68.99
CC(CC1CCCC[N@H+]1C)NC(=O)CCCC1=NN=N[N-]1	REAL250004649619	1	47	0.0	-71.78	351.77	5.86	-65.92
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004649636	0	43	0.0	-65.08	323.06	2.23	-62.85
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004649636	1	43	0.0	-67.32	323.04	1.91	-65.41
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004649636	1	43	0.0	-65.09	323.11	2.24	-62.85
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004649636	1	43	0.0	-67.30	323.10	1.93	-65.37
CC[NH+](CC)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649809	0	43	0.0	-51.94	319.12	2.02	-49.92
CC(C)[N@H+](C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649814	0	43	0.0	-53.71	318.62	2.21	-51.50
CC(C)[N@@H+](C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649814	1	43	0.0	-53.76	318.62	2.21	-51.55
CC(C)(C)[NH2+]CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649823	0	43	0.0	-53.08	322.06	0.37	-52.71
CC(C)(C)[NH2+]CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649823	1	43	0.0	-53.10	322.12	0.38	-52.72
C[NH+](C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649847	1	37	0.0	-55.04	283.16	0.66	-54.38
C[NH+](C)CCCCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649853	0	46	0.0	-59.81	348.47	2.84	-56.97
C[NH+](C)CCCCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649853	1	46	0.0	-59.81	348.53	2.84	-56.97
CC(C)C(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)[NH+](C)C	REAL250004649855	0	46	0.0	-54.61	323.10	2.45	-52.16
CC(C)C(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004649855	1	46	0.0	-54.58	323.16	2.46	-52.12
CCC[N@H+](C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649860	0	43	0.0	-56.23	323.43	2.43	-53.80
CCC[N@@H+](C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649860	1	43	0.0	-56.16	323.43	2.43	-53.73
C[N@@H+]1CCCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649875	0	44	0.0	-51.43	322.87	2.18	-49.25
C[N@H+]1CCCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649875	1	44	0.0	-54.53	316.50	2.27	-52.26
C[N@@H+]1CCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649888	0	41	0.0	-60.75	309.22	1.86	-58.89
C[N@H+]1CCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649888	1	41	0.0	-54.32	302.72	1.54	-52.78
C[NH+]1CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004649905	0	44	0.0	-61.26	328.14	2.58	-58.68
C[NH+]1CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004649905	1	44	0.0	-61.22	328.20	2.58	-58.64
C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649926	0	44	0.0	-52.66	323.89	2.53	-50.13
C[N@H+]1CCCC[C@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649926	1	44	0.0	-53.51	315.80	1.88	-51.63
C[NH+](C)C1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCC1	REAL250004649961	0	44	0.0	-54.42	309.40	1.97	-52.45
CC(C)[C@@H](C(=O)N1CCN(CC2=N[N-]N=N2)CC1)[NH+](C)C	REAL250004649972	0	46	0.0	-54.54	324.80	2.57	-51.97
CC(C)[C@@H](C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004649972	1	46	0.0	-54.56	324.86	2.57	-51.99
O=C(C[NH+]1CCCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650011	0	41	0.0	-52.96	307.32	1.76	-51.20
CC[N@H+](CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CC1	REAL250004650018	0	44	0.0	-49.95	326.69	2.55	-47.40
CC[N@@H+](CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CC1	REAL250004650018	1	44	0.0	-51.13	329.22	2.66	-48.47
CCC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004650027	0	43	0.0	-52.02	312.96	1.68	-50.34
CCCC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004650030	0	46	0.0	-53.68	334.16	2.46	-51.22
C=C(C[NH+](C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650100	0	41	0.0	-57.08	312.31	1.85	-55.23
C=C(C[NH+](C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650100	1	41	0.0	-57.08	312.37	1.85	-55.23
CC1=[NH+]C=CN1CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650218	1	39	0.0	-51.60	312.50	2.25	-49.35
CC1=[NH+]C=CN1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650218	1	39	0.0	-51.58	312.56	2.26	-49.32
C[NH+](C)C1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004650220	0	41	0.0	-53.97	305.29	1.34	-52.63
C[N@H+](CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CCC1	REAL250004650306	0	44	0.0	-53.90	330.33	2.99	-50.91
C[N@@H+](CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CCC1	REAL250004650306	1	44	0.0	-54.23	330.44	3.00	-51.23
C[C@@H]1[C@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC[N@@H+]1C	REAL250004650349	0	44	0.0	-59.85	319.97	1.97	-57.88
C[C@@H]1[C@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC[N@H+]1C	REAL250004650349	1	44	0.0	-56.80	322.93	2.37	-54.43
C[C@@H]1[C@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC[N@@H+]1C	REAL250004650349	1	44	0.0	-59.84	320.03	1.97	-57.87
C[C@@H]1[C@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC[N@H+]1C	REAL250004650349	1	44	0.0	-56.75	322.99	2.38	-54.37
C[NH+](C)CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004650386	0	44	0.0	-54.58	332.89	2.77	-51.81
C[NH+](C)CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004650386	1	44	0.0	-54.57	332.95	2.77	-51.80
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650396	0	41	0.0	-52.20	308.05	1.54	-50.66
C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650396	1	41	0.0	-54.24	302.62	1.52	-52.72
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650397	0	41	0.0	-54.18	302.59	1.55	-52.63
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650397	1	41	0.0	-51.34	304.57	1.42	-49.92
C[C@H](C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004650398	0	40	0.0	-54.45	299.94	1.37	-53.08
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C12CC[NH+](CC1)C2	REAL250004650400	0	42	0.0	-57.83	307.04	0.89	-56.94
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C12CC[NH+](CC1)C2	REAL250004650400	1	42	0.0	-57.82	307.10	0.90	-56.92
CC1=C[NH+]=CN1CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650407	1	39	0.0	-54.88	312.83	2.97	-51.91
CC1=C[NH+]=CN1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650407	1	39	0.0	-54.88	312.89	2.98	-51.90
C[C@@H](C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004650420	0	40	0.0	-54.56	301.09	1.42	-53.14
C=C(CC[NH+](C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650426	0	44	0.0	-56.12	342.00	2.37	-53.75
C=C(CC[NH+](C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650426	1	44	0.0	-56.14	342.06	2.37	-53.77
C[NH+]1CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL250004650437	0	44	0.0	-61.26	328.14	2.58	-58.68
C[NH+]1CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL250004650437	1	44	0.0	-61.22	328.20	2.58	-58.64
CC[C@@H](C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004650440	0	43	0.0	-52.11	313.96	1.68	-50.43
CC[C@H](C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004650441	0	43	0.0	-54.56	314.21	2.03	-52.53
C[N@@H+]1CCCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650466	0	44	0.0	-51.43	322.87	2.18	-49.25
C[N@H+]1CCCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650466	1	44	0.0	-54.53	316.50	2.27	-52.26
CC[N@@H+]1CCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650487	1	41	0.0	-52.35	304.66	1.22	-51.13
CC[N@H+]1CCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650487	1	41	0.0	-52.76	314.32	1.64	-51.12
CC(CC[NH+](C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650489	0	46	0.0	-59.74	342.32	2.38	-57.36
CC(CC[NH+](C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650489	1	46	0.0	-59.72	342.38	2.39	-57.33
CC(C)(C)[NH2+]CCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650521	0	46	0.0	-58.37	343.61	1.01	-57.36
CC(C)(C)[NH2+]CCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650521	1	46	0.0	-58.39	343.67	1.02	-57.37
C[NH+](C)CC(O)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650530	0	44	0.0	-61.45	335.58	-0.27	-61.72
C[NH+](C)CC(O)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650530	1	44	0.0	-61.45	335.64	-0.26	-61.71
CC(C[NH+](C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650531	0	43	0.0	-57.76	320.66	1.77	-55.99
CC(C[NH+](C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650531	1	43	0.0	-57.77	320.72	1.77	-56.00
C[NH+](C)CC=CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650532	0	41	0.0	-71.44	317.95	1.86	-69.58
C[NH+](C)CC=CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650532	1	41	0.0	-71.47	318.01	1.87	-69.60
C=CCC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+](C)C	REAL250004650554	0	44	0.0	-51.67	326.96	2.20	-49.47
C[N@@H+]1CCCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL250004650557	0	44	0.0	-58.77	328.15	2.54	-56.23
C[N@H+]1CCCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL250004650557	1	44	0.0	-54.84	318.78	2.42	-52.42
C[N@@H+]1CCCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004650557	1	44	0.0	-58.74	328.21	2.54	-56.20
C[N@H+]1CCCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004650557	1	44	0.0	-54.87	318.84	2.43	-52.44
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL250004650750	0	44	0.0	-59.03	333.13	2.72	-56.31
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL250004650750	1	44	0.0	-59.08	333.20	2.72	-56.36
C[NH+](C)CC1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004650762	0	38	0.0	-64.96	301.18	2.88	-62.08
C[NH+](C)CC1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004650762	1	38	0.0	-65.02	301.24	2.89	-62.13
C[NH+](C)CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004650763	0	38	0.0	-56.64	313.52	3.41	-53.23
C[NH+](C)CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004650763	1	38	0.0	-56.65	313.59	3.43	-53.22
CN(CCC[NH+]1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004650769	1	45	0.0	-68.42	349.62	4.12	-64.30
CC(C)C(CCNC(=O)CCCC1=N[N-]N=N1)[NH+](C)C	REAL250004650801	0	46	0.0	-67.26	338.36	3.80	-63.46
CC(C)C(CCNC(=O)CCCC1=NN=N[N-]1)[NH+](C)C	REAL250004650801	1	46	0.0	-67.32	338.42	3.81	-63.51
C[NH+](C)C1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004650805	0	41	0.0	-67.83	309.37	4.20	-63.63
C[NH+](C)C1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004650805	1	41	0.0	-67.85	309.43	4.21	-63.64
C[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004650826	0	45	0.0	-72.07	344.45	2.38	-69.69
C[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004650826	1	45	0.0	-72.09	344.45	2.38	-69.71
C[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004650826	1	45	0.0	-72.09	344.51	2.40	-69.69
C[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004650826	1	45	0.0	-72.08	344.51	2.40	-69.68
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CC2(COC2)C1	REAL250004650859	1	40	0.0	-75.01	326.40	1.27	-73.74
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CC2(COC2)C1	REAL250004650859	1	40	0.0	-75.06	326.46	1.28	-73.78
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](C2CC2)CC1	REAL250004650861	0	45	0.0	-68.70	338.53	5.98	-62.72
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](C2CC2)CC1	REAL250004650861	1	45	0.0	-68.74	338.59	6.00	-62.74
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)CC(C)(C)[NH2+]1	REAL250004650895	0	47	0.0	-71.69	335.68	4.79	-66.90
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)CC(C)(C)[NH2+]1	REAL250004650895	1	47	0.0	-71.67	335.74	4.81	-66.86
C[N@@H+]1CC2CCC(NC(=O)CCCC3=N[N-]N=N3)C2C1	REAL250004650926	0	42	0.0	-71.56	323.60	3.89	-67.67
C[N@H+]1CC2CCC(NC(=O)CCCC3=N[N-]N=N3)C2C1	REAL250004650926	1	42	0.0	-76.54	319.58	4.05	-72.49
C[N@@H+]1CC2CCC(NC(=O)CCCC3=NN=N[N-]3)C2C1	REAL250004650926	1	42	0.0	-71.58	323.66	3.90	-67.68
C[N@H+]1CC2CCC(NC(=O)CCCC3=NN=N[N-]3)C2C1	REAL250004650926	1	42	0.0	-76.57	319.64	4.07	-72.50
CC1=[NH+]C=C2CN(C(=O)CCCC3=NN=N[N-]3)CCN21	REAL250004650946	1	37	0.0	-66.08	299.81	4.57	-61.51
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](C2CC2)CC1	REAL250004650961	0	45	0.0	-68.70	338.53	5.98	-62.72
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](C2CC2)CC1	REAL250004650961	1	45	0.0	-68.74	338.59	6.00	-62.74
C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004650966	0	36	0.0	-76.12	293.27	-1.09	-77.21
C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004650966	1	36	0.0	-77.78	292.97	-1.07	-78.85
C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004650966	1	36	0.0	-76.12	293.33	-1.07	-77.19
C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004650966	1	36	0.0	-77.77	293.03	-1.06	-78.83
C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004650967	1	36	0.0	-63.00	303.71	-1.26	-64.26
C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004650967	1	36	0.0	-63.42	304.01	-1.25	-64.67
C[NH+]1CCN(C(=O)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004650973	1	42	0.0	-74.82	334.73	1.91	-72.91
C[NH+]1CCN(C(=O)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004650973	1	42	0.0	-74.83	334.79	1.93	-72.90
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004651060	0	41	0.0	-69.60	317.80	4.35	-65.25
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004651060	1	41	0.0	-69.65	317.85	4.36	-65.29
C[NH+](C)CCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651090	0	43	0.0	-74.36	325.18	3.54	-70.82
C[NH+](C)CCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651090	1	43	0.0	-74.35	325.23	3.56	-70.79
CCC[NH+](CCC)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004651110	0	46	0.0	-69.14	355.82	4.61	-64.53
CCC[NH+](CCC)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004651110	1	46	0.0	-69.21	355.87	4.62	-64.59
CC[N@H+](C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651137	0	40	0.0	-74.54	319.20	5.32	-69.22
CC[N@@H+](C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004651137	1	40	0.0	-74.57	319.23	5.30	-69.27
CC[N@H+](C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651137	1	40	0.0	-74.47	319.68	5.32	-69.15
CC[N@@H+](C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004651137	1	40	0.0	-74.37	319.33	5.33	-69.04
CC[N@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651138	0	37	0.0	-59.19	305.45	2.22	-56.97
CC[N@@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651138	1	37	0.0	-59.22	305.45	2.22	-57.00
CC[N@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651138	1	37	0.0	-59.18	305.51	2.23	-56.95
CC[N@@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651138	1	37	0.0	-59.20	305.52	2.23	-56.97
C[NH+](C)CCN1C=NC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004651143	0	40	0.0	-81.84	332.09	6.63	-75.21
C[NH+](C)CCN1C=NC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004651143	1	40	0.0	-81.79	332.04	6.61	-75.18
CC[NH+](CC)CCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004651153	0	46	0.0	-70.58	353.91	4.91	-65.67
CC[NH+](CC)CCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004651153	1	46	0.0	-70.64	353.97	4.93	-65.71
CN(C(=O)CCCC1=N[N-]N=N1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL250004651232	0	39	0.0	-74.73	305.71	0.59	-74.14
CN(C(=O)CCCC1=N[N-]N=N1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL250004651232	1	39	0.0	-76.47	303.53	0.82	-75.65
CN(C(=O)CCCC1=NN=N[N-]1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL250004651232	1	39	0.0	-74.76	305.77	0.61	-74.15
CN(C(=O)CCCC1=NN=N[N-]1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL250004651232	1	39	0.0	-76.49	303.59	0.84	-75.65
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004651272	0	39	0.0	-70.76	314.91	1.31	-69.45
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004651272	1	39	0.0	-68.11	315.00	1.28	-66.83
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004651272	1	39	0.0	-70.77	314.97	1.32	-69.45
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004651272	1	39	0.0	-68.13	315.06	1.30	-66.83
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCCC1	REAL250004651280	0	44	0.0	-65.80	327.69	4.08	-61.72
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCCC1	REAL250004651280	1	44	0.0	-65.83	327.75	4.10	-61.73
C[NH+](C)CCC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004651282	0	44	0.0	-64.12	339.10	5.53	-58.59
C[NH+](C)CCC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004651282	1	44	0.0	-64.10	339.16	5.54	-58.56
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)CCCC1=N[N-]N=N1	REAL250004651289	0	39	0.0	-72.87	300.28	4.43	-68.44
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CCCC1=N[N-]N=N1	REAL250004651289	1	39	0.0	-72.25	302.20	4.59	-67.66
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)CCCC1=NN=N[N-]1	REAL250004651289	1	39	0.0	-72.90	300.34	4.44	-68.46
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CCCC1=NN=N[N-]1	REAL250004651289	1	39	0.0	-72.25	302.26	4.60	-67.65
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651290	0	39	0.0	-59.50	307.96	4.54	-54.96
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651290	1	39	0.0	-58.67	309.48	4.73	-53.94
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651290	1	39	0.0	-59.58	307.89	4.54	-55.04
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651290	1	39	0.0	-58.68	309.41	4.72	-53.96
C[N@@H+]1CC2CC1(CNC(=O)CCCC1=N[N-]N=N1)C2	REAL250004651315	0	39	0.0	-68.16	305.11	3.12	-65.04
C[N@H+]1CC2CC1(CNC(=O)CCCC1=N[N-]N=N1)C2	REAL250004651315	1	39	0.0	-67.94	307.05	3.06	-64.88
C[N@@H+]1CC2CC1(CNC(=O)CCCC1=NN=N[N-]1)C2	REAL250004651315	1	39	0.0	-68.16	305.17	3.14	-65.02
C[N@H+]1CC2CC1(CNC(=O)CCCC1=NN=N[N-]1)C2	REAL250004651315	1	39	0.0	-67.94	307.11	3.08	-64.86
C[N@@H+]1CC2CC1(CNC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL250004651316	0	39	0.0	-54.55	318.05	2.85	-51.70
C[N@H+]1CC2CC1(CNC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL250004651316	1	39	0.0	-54.23	316.49	2.77	-51.46
C[N@@H+]1CC2CC1(CNC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL250004651316	1	39	0.0	-54.62	317.98	2.85	-51.77
C[N@H+]1CC2CC1(CNC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL250004651316	1	39	0.0	-54.26	316.42	2.77	-51.49
CCCC[N@@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651342	0	47	0.0	-71.14	365.56	5.12	-66.02
CCCC[N@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651342	1	47	0.0	-71.44	366.42	5.09	-66.35
CCCC[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651342	1	47	0.0	-71.20	365.61	5.14	-66.06
CCCC[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651342	1	47	0.0	-71.50	366.47	5.10	-66.40
CCC(C)[N@@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651346	0	47	0.0	-69.17	359.14	4.74	-64.43
CCC(C)[N@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004651346	1	47	0.0	-69.55	359.89	4.67	-64.88
CCC(C)[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651346	1	47	0.0	-69.21	359.20	4.76	-64.45
CCC(C)[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004651346	1	47	0.0	-69.56	359.94	4.68	-64.88
O=C(CCCC1=N[N-]N=N1)NCC12CC(C1)C[N@@H+]2C1CC1	REAL250004651347	0	43	0.0	-65.85	339.31	4.45	-61.40
O=C(CCCC1=N[N-]N=N1)NCC12CC(C1)C[N@H+]2C1CC1	REAL250004651347	1	43	0.0	-64.65	337.36	4.63	-60.02
O=C(CCCC1=NN=N[N-]1)NCC12CC(C1)C[N@@H+]2C1CC1	REAL250004651347	1	43	0.0	-65.81	339.36	4.46	-61.35
O=C(CCCC1=NN=N[N-]1)NCC12CC(C1)C[N@H+]2C1CC1	REAL250004651347	1	43	0.0	-64.65	337.42	4.65	-60.00
CC[N@H+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651400	0	41	0.0	-70.53	317.84	4.64	-65.89
CC[N@@H+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651400	1	41	0.0	-70.78	317.83	4.63	-66.15
CC[N@H+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651400	1	41	0.0	-70.52	317.90	4.65	-65.87
CC[N@@H+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651400	1	41	0.0	-70.79	317.89	4.65	-66.14
C[NH+]1CCC2(CN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL250004651413	0	42	0.0	-75.08	327.77	5.00	-70.08
C[NH+]1CCC2(CN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL250004651413	1	42	0.0	-75.06	327.83	5.02	-70.04
CC[N@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651424	0	47	0.0	-73.59	349.85	6.25	-67.34
CC[N@@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651424	1	47	0.0	-75.41	349.92	6.26	-69.15
CC[N@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651424	1	47	0.0	-73.60	349.91	6.26	-67.34
CC[N@@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651424	1	47	0.0	-75.45	349.98	6.27	-69.18
O=C(CCCC1=NN=N[N-]1)NCC1=CN2C=[NH+]C=C2C=C1	REAL250004651463	1	36	0.0	-69.61	309.01	5.39	-64.22
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004651478	0	45	0.0	-66.16	328.47	4.24	-61.92
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004651478	1	45	0.0	-72.30	329.99	4.11	-68.19
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004651478	1	45	0.0	-66.20	328.53	4.25	-61.95
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004651478	1	45	0.0	-72.31	330.05	4.13	-68.18
C[NH+](C)CC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004651523	0	42	0.0	-58.66	314.44	2.92	-55.74
C[NH+](C)CC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004651523	1	42	0.0	-58.66	314.50	2.94	-55.72
CCC[N@@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651618	0	47	0.0	-67.81	347.89	4.60	-63.21
CCC[N@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004651618	1	47	0.0	-67.09	352.34	5.28	-61.81
CCC[N@@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651618	1	47	0.0	-67.83	347.95	4.62	-63.21
CCC[N@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004651618	1	47	0.0	-67.10	352.40	5.29	-61.81
CC(C)[NH2+]C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004651724	0	44	0.0	-68.69	332.72	3.93	-64.76
CC(C)[NH2+]C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004651724	1	44	0.0	-68.70	332.78	3.94	-64.76
O=C(CCCC1=N[N-]N=N1)NCCCCC1=[NH+]C=CN1	REAL250004651738	1	39	0.0	-69.18	326.30	2.96	-66.22
O=C(CCCC1=NN=N[N-]1)NCCCCC1=[NH+]C=CN1	REAL250004651738	1	39	0.0	-69.23	326.35	2.97	-66.26
C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004651764	0	41	0.0	-72.70	304.76	4.82	-67.88
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004651764	1	41	0.0	-73.85	300.53	4.24	-69.61
C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004651764	1	41	0.0	-72.70	304.81	4.84	-67.86
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004651764	1	41	0.0	-73.85	300.59	4.25	-69.60
O=C(CCCC1=NN=N[N-]1)N1CCC([NH+]2CC(O)C2)CC1	REAL250004651802	1	43	0.0	-74.53	333.64	1.80	-72.73
O=C(CCCC1=N[N-]N=N1)NC1CC([NH+]2CCCCC2)C1	REAL250004651815	0	45	0.0	-69.49	346.64	4.94	-64.55
O=C(CCCC1=NN=N[N-]1)NC1CC([NH+]2CCCCC2)C1	REAL250004651815	1	45	0.0	-69.51	346.70	4.97	-64.54
C[NH+](C)CC1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651827	0	47	0.0	-74.23	352.40	5.53	-68.70
C[NH+](C)CC1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651827	1	47	0.0	-74.22	352.46	5.55	-68.67
O=C(CCCC1=N[N-]N=N1)NCCC[N@@H+]1CCCOCC1	REAL250004651883	0	45	0.0	-71.91	345.12	2.75	-69.16
O=C(CCCC1=N[N-]N=N1)NCCC[N@H+]1CCCOCC1	REAL250004651883	1	45	0.0	-74.81	342.39	2.57	-72.24
O=C(CCCC1=NN=N[N-]1)NCCC[N@@H+]1CCCOCC1	REAL250004651883	1	45	0.0	-71.91	345.18	2.76	-69.15
O=C(CCCC1=NN=N[N-]1)NCCC[N@H+]1CCCOCC1	REAL250004651883	1	45	0.0	-74.84	342.45	2.59	-72.25
C=CC[N@@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651933	0	42	0.0	-67.34	320.46	5.91	-61.43
C=CC[N@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651933	1	42	0.0	-68.24	321.74	5.93	-62.31
C=CC[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651933	1	42	0.0	-67.35	320.52	5.92	-61.43
C=CC[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651933	1	42	0.0	-68.33	321.80	5.94	-62.39
C=CC[N@@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651980	0	42	0.0	-67.34	320.46	5.91	-61.43
C=CC[N@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004651980	1	42	0.0	-68.24	321.74	5.93	-62.31
C=CC[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651980	1	42	0.0	-67.35	320.52	5.92	-61.43
C=CC[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004651980	1	42	0.0	-68.33	321.80	5.94	-62.39
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1C1CC1	REAL250004652038	0	42	0.0	-69.07	317.03	5.46	-63.61
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1C1CC1	REAL250004652038	1	42	0.0	-69.31	318.68	5.44	-63.87
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1C1CC1	REAL250004652038	1	42	0.0	-69.10	317.08	5.47	-63.63
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1C1CC1	REAL250004652038	1	42	0.0	-69.37	318.74	5.46	-63.91
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004652081	0	42	0.0	-70.95	328.83	1.64	-69.31
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004652081	1	42	0.0	-70.98	328.89	1.65	-69.33
C[NH+](C)CCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004652085	0	46	0.0	-71.49	363.12	4.87	-66.62
C[NH+](C)CCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004652085	1	46	0.0	-71.53	363.18	4.89	-66.64
C[N@@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)CC12CCC2	REAL250004652086	0	42	0.0	-63.12	323.98	3.73	-59.39
C[N@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)CC12CCC2	REAL250004652086	1	42	0.0	-63.15	324.02	3.74	-59.41
C[N@@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)CC12CCC2	REAL250004652086	1	42	0.0	-63.15	324.04	3.75	-59.40
C[N@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)CC12CCC2	REAL250004652086	1	42	0.0	-63.18	324.08	3.75	-59.43
C[NH+](C)C1CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004652107	0	44	0.0	-62.16	325.01	5.59	-56.57
C[NH+](C)C1CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004652107	1	44	0.0	-62.16	325.06	5.60	-56.56
CCC1=[NH+]C=CN1CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004652122	1	42	0.0	-64.80	345.50	4.73	-60.07
CCC1=[NH+]C=CN1CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004652122	1	42	0.0	-64.80	345.56	4.75	-60.05
C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC3=N[N-]N=N3)[C@@H]2C1	REAL250004652123	0	39	0.0	-67.61	300.45	4.31	-63.30
C[N@H+]1C[C@@H]2CCN(C(=O)CCCC3=N[N-]N=N3)[C@@H]2C1	REAL250004652123	1	39	0.0	-66.86	300.37	4.30	-62.56
C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC3=NN=N[N-]3)[C@@H]2C1	REAL250004652123	1	39	0.0	-67.63	300.51	4.33	-63.30
C[N@H+]1C[C@@H]2CCN(C(=O)CCCC3=NN=N[N-]3)[C@@H]2C1	REAL250004652123	1	39	0.0	-66.87	300.43	4.32	-62.55
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@@H]2C1	REAL250004652124	0	39	0.0	-59.14	307.75	4.58	-54.56
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@@H]2C1	REAL250004652124	1	39	0.0	-57.89	307.66	4.53	-53.36
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@@H]2C1	REAL250004652124	1	39	0.0	-59.19	307.69	4.57	-54.62
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@@H]2C1	REAL250004652124	1	39	0.0	-57.86	307.59	4.51	-53.35
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004652125	0	39	0.0	-69.85	309.33	1.15	-68.70
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004652125	1	39	0.0	-69.86	309.39	1.16	-68.70
C[N@@H+]1CC2CC1CC2NC(=O)CCCC1=N[N-]N=N1	REAL250004652162	0	39	0.0	-72.33	299.92	3.82	-68.51
C[N@H+]1CC2CC1CC2NC(=O)CCCC1=N[N-]N=N1	REAL250004652162	1	39	0.0	-72.30	294.25	3.73	-68.57
C[N@@H+]1CC2CC1CC2NC(=O)CCCC1=NN=N[N-]1	REAL250004652162	1	39	0.0	-72.34	299.98	3.83	-68.51
C[N@H+]1CC2CC1CC2NC(=O)CCCC1=NN=N[N-]1	REAL250004652162	1	39	0.0	-72.35	294.30	3.74	-68.61
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652163	0	39	0.0	-57.87	310.49	3.63	-54.24
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004652163	1	39	0.0	-60.40	310.49	2.90	-57.50
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652163	1	39	0.0	-57.90	310.56	3.63	-54.27
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004652163	1	39	0.0	-60.37	310.55	2.90	-57.47
CC[NH+](CC)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652455	0	39	0.0	-64.52	304.05	2.53	-61.99
CC(C)[N@H+](C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652458	0	39	0.0	-66.99	307.30	2.67	-64.32
CC(C)[N@@H+](C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652458	1	39	0.0	-63.09	307.29	2.68	-60.41
CC(C)(C)[NH2+]CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652464	0	39	0.0	-64.67	311.83	1.19	-63.48
C[NH+](C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652481	1	33	0.0	-69.54	273.17	1.46	-68.08
CCC[N@H+](C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652489	0	39	0.0	-66.48	312.38	2.87	-63.61
CCC[N@@H+](C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652489	1	39	0.0	-66.47	312.39	2.88	-63.59
C[N@@H+]1CCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652508	1	37	0.0	-64.15	298.71	2.42	-61.73
C[N@H+]1CCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652508	1	37	0.0	-69.84	293.17	2.01	-67.83
O=C(C[NH+]1CCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652587	1	37	0.0	-65.12	296.84	2.50	-62.62
CCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL250004652596	0	39	0.0	-61.62	303.52	2.49	-59.13
C=C(C[NH+](C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652635	0	37	0.0	-80.43	305.31	2.52	-77.91
CC1=[NH+]C=CN1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652711	1	35	0.0	-61.52	302.58	3.09	-58.43
C[NH+](C)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004652713	1	37	0.0	-65.94	295.37	3.04	-62.90
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652818	1	37	0.0	-61.74	298.79	2.52	-59.22
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652818	1	37	0.0	-62.43	293.13	2.02	-60.41
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652819	1	37	0.0	-65.00	292.90	2.04	-62.96
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652819	1	37	0.0	-65.72	298.46	2.51	-63.21
C[C@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL250004652820	0	36	0.0	-68.12	290.97	1.87	-66.25
CC1=C[NH+]=CN1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652824	1	35	0.0	-67.82	302.64	3.83	-63.99
C[C@@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL250004652833	0	36	0.0	-68.08	290.93	1.87	-66.21
CC[C@@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL250004652845	0	39	0.0	-62.78	302.99	2.51	-60.27
CC[C@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL250004652846	0	39	0.0	-65.00	301.71	2.53	-62.47
CC(C[NH+](C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652903	0	39	0.0	-66.99	311.81	2.73	-64.26
C[NH+](C)CC=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004652904	0	37	0.0	-74.37	310.38	2.71	-71.66
O=C(CCCC1=N[N-]N=N1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL250004653040	0	43	0.0	-68.40	328.12	1.81	-66.59
O=C(CCCC1=NN=N[N-]1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL250004653040	1	43	0.0	-68.40	328.18	1.83	-66.57
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004653050	1	39	0.0	-60.80	326.11	2.88	-57.92
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004653050	1	39	0.0	-60.84	326.17	2.89	-57.95
CC(C)(CC[NH+]1CCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004653059	0	47	0.0	-72.73	351.14	4.72	-68.01
CC(C)(CC[NH+]1CCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004653059	1	47	0.0	-72.76	351.20	4.74	-68.02
C[NH+](C)CCN(CCO)C(=O)CCCC1=N[N-]N=N1	REAL250004653085	0	41	0.0	-64.17	324.46	1.58	-62.59
C[NH+](C)CCN(CCO)C(=O)CCCC1=NN=N[N-]1	REAL250004653085	1	41	0.0	-64.16	324.51	1.60	-62.56
CC(C)(C)[N@@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004653159	0	47	0.0	-66.34	347.08	4.37	-61.97
CC(C)(C)[N@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004653159	1	47	0.0	-66.34	347.06	4.37	-61.97
CC(C)(C)[N@@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004653159	1	47	0.0	-66.37	347.14	4.38	-61.99
CC(C)(C)[N@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004653159	1	47	0.0	-66.41	347.12	4.38	-62.03
C[N@@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)CC12CCCC2	REAL250004653206	0	45	0.0	-63.78	337.05	4.26	-59.52
C[N@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)CC12CCCC2	REAL250004653206	1	45	0.0	-64.98	341.00	4.59	-60.39
C[N@@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)CC12CCCC2	REAL250004653206	1	45	0.0	-63.80	337.11	4.28	-59.52
C[N@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)CC12CCCC2	REAL250004653206	1	45	0.0	-64.99	341.06	4.60	-60.39
O=C(CCCC1=NN=N[N-]1)NC1=CN2C=[NH+]C=C2C=C1	REAL250004653274	1	33	0.0	-68.43	285.96	5.30	-63.13
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004653292	0	45	0.0	-68.28	335.08	1.91	-66.37
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004653292	1	45	0.0	-69.40	332.03	2.28	-67.12
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004653292	1	45	0.0	-68.30	335.14	1.93	-66.37
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004653292	1	45	0.0	-69.41	332.08	2.30	-67.11
C[NH+](C)CCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004653335	0	45	0.0	-69.39	347.96	4.07	-65.32
C[NH+](C)CCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004653335	1	45	0.0	-69.37	348.02	4.08	-65.29
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CC2CC2C1	REAL250004653362	0	39	0.0	-69.58	312.90	3.66	-65.92
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CC2CC2C1	REAL250004653362	1	39	0.0	-69.61	312.96	3.67	-65.94
O=C(NCC[NH+]1CC2CC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004653363	0	39	0.0	-59.06	323.56	3.46	-55.60
O=C(NCC[NH+]1CC2CC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004653363	1	39	0.0	-59.12	323.49	3.45	-55.67
CC1=CC(C)=[NH+]C(NNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004653377	1	37	0.0	-60.09	311.11	3.98	-56.11
CC1=CC(C)=[NH+]C(NNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004653377	1	37	0.0	-60.12	311.17	4.00	-56.12
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2=[NH+]C=CN21	REAL250004653425	1	40	0.0	-64.53	318.81	4.59	-59.94
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2=[NH+]C=CN21	REAL250004653425	1	40	0.0	-64.58	318.87	4.61	-59.97
C[NH+](C)CC1CC2(CCN2C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653467	0	45	0.0	-66.13	349.68	5.74	-60.39
C[NH+](C)CC1CC2(CCN2C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653467	1	45	0.0	-66.14	349.74	5.76	-60.38
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2=[NH+]C=CN21	REAL250004653567	1	40	0.0	-64.53	318.81	4.59	-59.94
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2=[NH+]C=CN21	REAL250004653567	1	40	0.0	-64.58	318.87	4.61	-59.97
C[NH+](C)[C@H]1CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004653580	0	44	0.0	-62.10	325.07	5.59	-56.51
C[NH+](C)[C@H]1CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004653580	1	44	0.0	-62.14	325.13	5.61	-56.53
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C1COC1	REAL250004653620	0	43	0.0	-77.48	323.21	2.86	-74.62
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C1COC1	REAL250004653620	1	43	0.0	-77.04	323.91	2.74	-74.30
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C1COC1	REAL250004653620	1	43	0.0	-77.51	323.27	2.88	-74.63
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C1COC1	REAL250004653620	1	43	0.0	-77.03	323.97	2.75	-74.28
C[NH+](C)C1CN(C(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004653633	0	44	0.0	-79.09	334.94	5.27	-73.82
C[NH+](C)C1CN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004653633	1	44	0.0	-79.09	334.99	5.28	-73.81
CCC[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004653752	0	46	0.0	-68.18	343.03	3.92	-64.26
CCC[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004653752	1	46	0.0	-67.56	343.52	4.02	-63.54
CCC[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004653752	1	46	0.0	-68.15	343.09	3.93	-64.22
CCC[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004653752	1	46	0.0	-67.59	343.58	4.04	-63.55
C[N@@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004653799	0	44	0.0	-72.50	328.70	4.66	-67.84
C[N@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004653799	1	44	0.0	-72.50	328.69	4.66	-67.84
C[N@@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004653799	1	44	0.0	-72.48	328.76	4.68	-67.80
C[N@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004653799	1	44	0.0	-72.52	328.75	4.68	-67.84
C[C@@H](C[NH+]1CCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004653801	0	41	0.0	-69.29	321.05	4.01	-65.28
C[C@@H](C[NH+]1CCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004653801	1	41	0.0	-69.31	321.11	4.03	-65.28
C[N@@H+]1CCC2=NC(SC3=NN=N[N-]3)=C(C#N)C=C2C1	REAL250004654156	0	30	0.0	-71.20	268.62	4.89	-66.31
C[N@H+]1CCC2=NC(SC3=NN=N[N-]3)=C(C#N)C=C2C1	REAL250004654156	1	30	0.0	-71.18	268.62	4.88	-66.30
C[N@@H+]1CCC2=NC(SC3=N[N-]N=N3)=C(C#N)C=C2C1	REAL250004654156	1	30	0.0	-71.15	268.53	4.90	-66.25
C[N@H+]1CCC2=NC(SC3=N[N-]N=N3)=C(C#N)C=C2C1	REAL250004654156	1	30	0.0	-71.16	268.53	4.89	-66.27
CC(CN(C)C1=C2C=CNC2=NC=[NH+]1)C1=NN=N[N-]1	REAL250004654267	1	33	0.0	-43.50	274.36	3.91	-39.59
CC(C)C1=[NH+]C=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654271	1	38	0.0	-42.72	299.28	5.44	-37.28
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(C2CC2)=[NH+]1	REAL250004654275	1	39	0.0	-40.96	307.42	5.92	-35.04
CCC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(C)=[NH+]1	REAL250004654282	0	38	0.0	-42.88	299.07	5.06	-37.82
CC1=[NH+]C2=C(CCCC2)C(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654299	1	42	0.0	-49.32	327.20	5.72	-43.60
CC(CN(C)C1=NC(C2CC2)=[NH+]C2=C1CCC2)C1=NN=N[N-]1	REAL250004654320	1	43	0.0	-45.76	332.85	6.34	-39.42
CCC1=[NH+]C(C)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654373	0	38	0.0	-42.77	298.16	5.06	-37.71
CCC1=CNC2=NC=[NH+]C(N(C)CC(C)C3=NN=N[N-]3)=C12	REAL250004654447	1	39	0.0	-44.51	306.78	5.52	-38.99
CCC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(CC)=[NH+]1	REAL250004654455	0	41	0.0	-42.03	320.94	5.79	-36.24
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(C2CCC2)=[NH+]1	REAL250004654460	1	42	0.0	-39.69	327.12	6.75	-32.94
CC(CN(C)C1=CC=[NH+]C(C2CCC2)=N1)C1=NN=N[N-]1	REAL250004654476	1	39	0.0	-44.20	301.26	5.79	-38.41
CCC(C)C1=[NH+]C(C)=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654499	0	44	0.0	-40.78	334.73	6.25	-34.53
CC(CN(C)C1=CC=[NH+]C(N(C)C)=N1)C1=NN=N[N-]1	REAL250004654509	0	37	0.0	-43.22	293.78	6.58	-36.64
CCC(C)C1=[NH+]C=CC(N(C)CC(C)C2=NN=N[N-]2)=N1	REAL250004654511	1	41	0.0	-44.25	314.53	5.68	-38.57
CC(CN(C)C1=CC=[NH+]C2=CC=CC=C21)C1=NN=N[N-]1	REAL250004654513	0	36	0.0	-49.12	291.70	4.97	-44.15
CC(CN(C)C1=CC=[NH+]C2=CC=CC=C21)C1=N[N-]N=N1	REAL250004654513	1	36	0.0	-49.12	291.64	4.96	-44.16
CC(CN(C)C1=CC=[NH+]C(N2CCCC2)=N1)C1=NN=N[N-]1	REAL250004654519	0	41	0.0	-43.34	313.95	5.79	-37.55
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=C([N+](=O)[O-])C=[NH+]1	REAL250004654520	1	35	0.0	-58.15	291.11	4.67	-53.48
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(CC2CC2)=[NH+]1	REAL250004654521	0	42	0.0	-41.98	333.83	7.04	-34.94
CC1=CC(N(C)CC(C)C2=N[N-]N=N2)=C([N+](=O)[O-])C(C)=[NH+]1	REAL250004654525	0	38	0.0	-54.80	317.97	4.54	-50.26
CC1=CC(N(C)CC(C)C2=NN=N[N-]2)=C([N+](=O)[O-])C(C)=[NH+]1	REAL250004654525	1	38	0.0	-54.79	318.03	4.55	-50.24
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)C=C1	REAL250004654551	1	33	0.0	-10.79	273.36	3.98	-6.81
O=[N+]([O-])C1=CC=CC=C1N1CCN(C2=NNN=N2)CC1	REAL250004654552	1	33	0.0	-12.00	274.89	5.26	-6.74
O=[N+]([O-])C1=CC=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654553	1	32	0.0	-12.04	270.26	4.38	-7.66
N#CC1=C(F)C=CC=C1N1CCN(C2=NNN=N2)CC1	REAL250004654554	1	32	0.0	-12.49	275.06	4.19	-8.30
C1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2S1	REAL250004654555	1	32	0.0	-9.48	270.80	3.64	-5.84
C1=CC2=NC=C(N3CCN(C4=NNN=N4)CC3)N=C2C=C1	REAL250004654556	1	35	0.0	-10.14	284.17	2.90	-7.24
O=[N+]([O-])C1=CC(F)=CC=C1N1CCN(C2=NNN=N2)CC1	REAL250004654557	1	33	0.0	-11.02	281.32	5.33	-5.69
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654558	1	32	0.0	-9.98	271.28	3.37	-6.61
C1=CC=C2OC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL250004654559	1	33	0.0	-9.86	272.82	1.00	-8.86
C1=CC=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL250004654560	1	33	0.0	-8.58	281.68	4.04	-4.54
CN1C=NC([N+](=O)[O-])=C1N1CCN(C2=NNN=N2)CC1	REAL250004654561	1	33	0.0	-18.23	273.16	5.10	-13.13
C1=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C2C=C1	REAL250004654562	1	35	0.0	-9.18	286.25	4.92	-4.26
COC1=CC=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654563	1	33	0.0	-8.25	271.54	1.44	-6.81
C1=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C2S1	REAL250004654564	1	32	0.0	-8.92	271.25	3.57	-5.35
N#CC1=CC=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654565	1	31	0.0	-10.50	266.18	3.30	-7.20
CC1=NC2=NC=NN2C(N2CCN(C3=NNN=N3)CC2)=C1	REAL250004654566	1	35	0.0	-15.73	280.81	7.40	-8.33
CN1N=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C21	REAL250004654567	1	35	0.0	-10.39	283.96	3.24	-7.15
N#CC1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654568	1	31	0.0	-9.89	263.61	3.10	-6.79
C1=CC(N2CCN(C3=NNN=N3)CC2)=NN2N=NN=C12	REAL250004654569	1	31	0.0	-18.85	259.16	2.08	-16.77
ClC1=CN=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654570	1	29	0.0	-7.69	254.61	1.24	-6.45
C1=C2C(=NN1)N=CN=C2N1CCN(C2=NNN=N2)CC1	REAL250004654571	1	32	0.0	-16.34	262.09	2.22	-14.12
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL250004654572	1	33	0.0	-9.52	283.52	4.28	-5.24
CC1=CN2N=C(N3CCN(C4=NNN=N4)CC3)SC2=N1	REAL250004654573	1	33	0.0	-12.44	284.53	4.54	-7.90
NC1=NC(Cl)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654574	1	31	0.0	-7.88	270.08	2.29	-5.59
CC1=NN=C(N2CCN(C3=NNN=N3)CC2)C(C#N)=C1C	REAL250004654576	1	36	0.0	-9.48	291.36	2.75	-6.73
NC1=NC(N2CCN(C3=NNN=N3)CC2)=NC=C1[N+](=O)[O-]	REAL250004654577	1	33	0.0	-8.06	278.12	2.52	-5.54
N#CC1=C(N2CCN(C3=NNN=N3)CC2)SN=C1Cl	REAL250004654578	1	28	0.0	-9.15	266.99	1.81	-7.34
CC1=NN(C)C(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL250004654579	1	36	0.0	-9.44	298.01	3.09	-6.35
CC1=CC(N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL250004654580	1	36	0.0	-10.56	289.33	4.49	-6.07
O=[N+]([O-])C1=CC=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654581	1	32	0.0	-12.04	270.26	4.38	-7.66
CC1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2C=C1	REAL250004654582	1	38	0.0	-8.51	308.10	5.41	-3.10
O=[N+]([O-])C1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654583	1	31	0.0	-7.94	267.74	3.57	-4.37
CC1=NC([N+](=O)[O-])=C(N2CCN(C3=NNN=N3)CC2)N1C	REAL250004654584	1	36	0.0	-17.74	294.04	4.94	-12.80
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654585	1	32	0.0	-9.98	271.28	3.37	-6.61
C1=NC2=CC=C(N3CCN(C4=NNN=N4)CC3)N=C2N=C1	REAL250004654586	1	34	0.0	-14.66	278.88	2.00	-12.66
N#CC1=NC(N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL250004654587	1	31	0.0	-11.48	279.26	3.41	-8.07
C1=NC2=C(CCC2)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654588	1	36	0.0	-8.27	286.29	4.25	-4.02
N#CC1=CN=C(N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL250004654589	1	31	0.0	-8.03	282.73	3.83	-4.20
N#CC1=NC=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654590	1	30	0.0	-11.44	261.04	1.37	-10.07
CC1=NC(C)=C(F)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654591	1	35	0.0	-7.06	284.68	3.08	-3.98
CN1C=NC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C21	REAL250004654592	1	35	0.0	-12.69	285.28	5.07	-7.62
CC1=NC(Cl)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654593	1	32	0.0	-7.55	276.65	2.87	-4.68
C1=CC2=C(N3CCN(C4=NN=N[N-]4)CC3)[NH+]=CN=C2N1	REAL250004654594	1	33	0.0	-51.68	269.81	3.80	-47.88
CC1=CC([N+](=O)[O-])=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654595	1	35	0.0	-8.24	294.98	4.26	-3.98
N#CC1=CC=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654596	1	31	0.0	-10.50	266.18	3.30	-7.20
N#CC1=CN=C(N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004654597	1	30	0.0	-10.12	258.66	1.13	-8.99
CC(C)C1=NC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654598	1	38	0.0	-8.65	299.87	3.36	-5.29
CC(C)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654599	1	38	0.0	-7.95	298.28	4.35	-3.60
C1=CC=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL250004654600	1	33	0.0	-8.58	281.68	4.04	-4.54
CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2CC2)=N1	REAL250004654601	1	39	0.0	-8.86	311.91	4.73	-4.13
COC1=CC(C)=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654602	1	36	0.0	-8.21	293.21	2.19	-6.02
CC1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654603	1	29	0.0	-8.04	251.21	1.62	-6.42
COCC1=NC(C)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654604	1	39	0.0	-10.62	315.07	2.03	-8.59
FC1=CC=C2OC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL250004654605	1	33	0.0	-8.78	279.23	1.07	-7.71
CC1=CC=C2OC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL250004654606	1	36	0.0	-9.62	294.21	1.66	-7.96
C1=CC2=NC=C(N3CCN(C4=NNN=N4)CC3)N=C2C=C1	REAL250004654607	1	35	0.0	-10.14	284.17	2.90	-7.24
CC1=CC=NC(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL250004654609	1	35	0.0	-11.47	294.92	4.28	-7.19
C1=NN=C2C(N3CCN(C4=NNN=N4)CC3)=NC=CN12	REAL250004654610	1	32	0.0	-12.70	261.58	5.47	-7.23
C1=CN(C2=CC(N3CCN(C4=NNN=N4)CC3)=NC=N2)C=N1	REAL250004654611	1	36	0.0	-11.26	296.33	5.98	-5.28
CC1=NN=C2C(N3CCN(C4=NNN=N4)CC3)=NC=CN12	REAL250004654612	1	35	0.0	-12.92	283.45	5.28	-7.64
CC1=[NH+]C(N2CCN(C3=NN=N[N-]3)CC2)=C2C=CNC2=N1	REAL250004654613	0	36	0.0	-47.91	291.35	3.73	-44.18
CN1C=CN=C(N2CCN(C3=NNN=N3)CC2)C1=O	REAL250004654614	1	33	0.0	-11.27	265.66	2.84	-8.43
CC1=CN=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL250004654615	1	35	0.0	-10.96	291.71	5.02	-5.94
CCC1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654616	1	32	0.0	-7.83	272.69	2.23	-5.60
CC1=CC=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C12	REAL250004654618	1	38	0.0	-8.75	301.77	6.90	-1.85
CC(C)C1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654619	1	35	0.0	-7.66	293.08	2.76	-4.90
C1CC1C1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654620	1	33	0.0	-8.10	281.95	3.23	-4.87
CC(C)(C)C1=NC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654621	1	41	0.0	-8.43	318.49	4.13	-4.30
COCCC1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654622	1	36	0.0	-8.17	306.36	1.31	-6.86
ClC1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654623	1	29	0.0	-6.82	256.01	3.41	-3.41
C1=CN2N=NN=C2C(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654624	1	31	0.0	-12.43	256.24	2.33	-10.10
N#CC1=CC=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654625	1	31	0.0	-10.50	266.18	3.30	-7.20
CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC=C1[N+](=O)[O-]	REAL250004654626	1	35	0.0	-9.69	287.45	3.88	-5.81
COC1=NC(C)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654627	1	36	0.0	-10.83	291.73	-0.05	-10.88
CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC=C1[N+](=O)[O-]	REAL250004654628	1	35	0.0	-9.69	287.45	3.88	-5.81
O=[N+]([O-])C1=CC=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654629	1	32	0.0	-12.04	270.26	4.38	-7.66
CC1=NC(N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL250004654630	1	35	0.0	-9.63	287.49	3.84	-5.79
N#CC1=NC=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654631	1	30	0.0	-11.44	261.04	1.37	-10.07
CC1=CC=C([N+](=O)[O-])C(N2CCN(C3=NNN=N3)CC2)=C1	REAL250004654632	1	36	0.0	-11.17	296.35	5.93	-5.24
CC1=CC=C([N+](=O)[O-])C(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654633	1	35	0.0	-11.37	291.88	4.98	-6.39
CC1=CC(C)=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654634	1	35	0.0	-9.01	282.58	4.12	-4.89
C1=NC2=C(CCCC2)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654635	1	39	0.0	-7.18	303.10	5.15	-2.03
CC1=CC=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL250004654636	1	36	0.0	-11.34	296.30	5.93	-5.41
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)SC=C1	REAL250004654637	1	30	0.0	-10.25	267.58	3.99	-6.26
FC1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654638	1	29	0.0	-7.14	245.67	3.00	-4.14
COCC1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654639	1	36	0.0	-7.88	291.10	2.33	-5.55
CC1=CC=NC(N2CCN(C3=NNN=N3)CC2)=C1C#N	REAL250004654640	1	34	0.0	-10.23	285.58	3.82	-6.41
CCC1=CC(C)=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654641	1	38	0.0	-8.69	303.41	4.91	-3.78
CCN1C=CN=C(N2CCN(C3=NNN=N3)CC2)C1=O	REAL250004654642	1	36	0.0	-10.93	287.09	3.79	-7.14
CCC1=NC=NC(N2CCN(C3=NNN=N3)CC2)=C1F	REAL250004654643	1	35	0.0	-6.76	284.31	3.88	-2.88
N#CC1=CC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654644	1	31	0.0	-11.78	263.85	3.00	-8.78
N#CC1=CN=CC=C1N1CCN(C2=NNN=N2)CC1	REAL250004654645	1	31	0.0	-10.36	264.38	2.36	-8.00
CCOC1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654646	1	36	0.0	-7.61	292.07	1.91	-5.70
ClC1=CN=C(N2CCN(C3=NNN=N3)CC2)S1	REAL250004654647	1	27	0.0	-6.29	250.67	2.06	-4.23
CC(C)(C)C1=NC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654648	1	41	0.0	-8.43	318.49	4.13	-4.30
N#CC1=C(Cl)N=C(N2CCN(C3=NNN=N3)CC2)S1	REAL250004654649	1	28	0.0	-8.80	271.84	2.59	-6.21
N#CC1=NC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654650	1	30	0.0	-11.95	259.00	2.06	-9.89
N#CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654651	1	30	0.0	-9.29	258.93	2.82	-6.47
FC(F)(F)C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654652	1	33	0.0	-7.53	282.04	3.70	-3.83
O=[N+]([O-])C1=CN=C(N2CCN(C3=NNN=N3)CC2)S1	REAL250004654653	1	29	0.0	-8.82	264.57	2.49	-6.33
CC1=NN=C(N2CCN(C3=NNN=N3)CC2)N=C1C	REAL250004654654	1	34	0.0	-10.90	273.28	2.75	-8.15
CC1=NC(N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL250004654655	1	35	0.0	-9.63	287.49	3.84	-5.79
ClC1=CN=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654656	1	29	0.0	-6.46	257.47	3.01	-3.45
CCC1=NN=C(N2CCN(C3=NNN=N3)CC2)N=C1CC	REAL250004654657	1	40	0.0	-9.95	314.51	4.15	-5.80
CC1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654658	1	29	0.0	-8.04	251.21	1.62	-6.42
N#CC1=CC=CC(C#N)=C1N1CCN(C2=NNN=N2)CC1	REAL250004654659	1	33	0.0	-13.77	282.05	4.04	-9.73
CC(C)(C)C1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654660	1	38	0.0	-7.64	311.96	3.41	-4.23
COC(=O)C1=CN=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654661	1	35	0.0	-9.22	294.19	3.92	-5.30
C1=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C2S1	REAL250004654662	1	32	0.0	-8.92	271.25	3.57	-5.35
COC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654663	1	35	0.0	-9.00	294.22	3.57	-5.43
FC1=C2N=C(N3CCN(C4=NNN=N4)CC3)OC2=CC=C1	REAL250004654664	1	33	0.0	-11.79	279.25	1.07	-10.72
CN1N=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C21	REAL250004654665	1	35	0.0	-10.39	283.96	3.24	-7.15
CC1=NN=C(N2CCN(C3=NNN=N3)CC2)C(C#N)=C1C	REAL250004654666	1	36	0.0	-9.48	291.36	2.75	-6.73
CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(CO)=N1	REAL250004654667	1	36	0.0	-11.57	292.79	-0.37	-11.94
CC1=NOC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C12	REAL250004654668	1	34	0.0	-9.56	284.02	1.65	-7.91
C1=CC2=CN=NC(N3CCN(C4=NNN=N4)CC3)=C2C=C1	REAL250004654669	1	35	0.0	-11.47	286.32	4.11	-7.36
COC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654670	1	35	0.0	-9.00	294.22	3.57	-5.43
N#CC1=CN=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654671	1	30	0.0	-8.37	254.35	2.76	-5.61
O=[N+]([O-])C1=CC=[N+]([O-])C=C1N1CCN(C2=NNN=N2)CC1	REAL250004654672	1	33	0.0	-16.84	282.49	3.77	-13.07
CC1=CC=C(C#N)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654673	1	34	0.0	-10.05	287.77	3.90	-6.15
CC1=NSC(N2CCN(C3=NNN=N3)CC2)=C1C#N	REAL250004654674	1	31	0.0	-8.18	271.00	1.95	-6.23
O=[N+]([O-])C1=CC=CC(F)=C1N1CCN(C2=NNN=N2)CC1	REAL250004654675	1	33	0.0	-10.98	277.16	5.22	-5.76
FC1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654677	1	29	0.0	-7.14	245.67	3.00	-4.14
C1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2C=N1	REAL250004654678	1	34	0.0	-8.65	281.32	3.10	-5.55
N#CC1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654679	1	31	0.0	-9.89	263.61	3.10	-6.79
CC1=NC(C#N)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654680	1	33	0.0	-9.00	280.76	2.76	-6.24
CCC1=NC(C#N)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654681	1	36	0.0	-8.76	302.22	3.37	-5.39
CC1=CC(C#N)=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654682	1	34	0.0	-8.50	287.30	4.03	-4.47
CC1=C2OC(N3CCN(C4=NNN=N4)CC3)=NC2=CC=C1	REAL250004654683	1	36	0.0	-9.74	294.21	1.88	-7.86
N#CC1=CC=C(N2CCN(C3=NNN=N3)CC2)N=N1	REAL250004654684	1	30	0.0	-12.82	258.86	1.81	-11.01
N#CC1=CC=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654685	1	30	0.0	-10.56	260.24	3.21	-7.35
CC1=NC(N2CCN(C3=NNN=N3)CC2)=CC=C1C#N	REAL250004654686	1	34	0.0	-9.43	282.97	3.55	-5.88
N#CC1=C(Cl)SC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654687	1	28	0.0	-8.87	271.71	2.39	-6.48
CCCC1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654688	1	35	0.0	-7.66	294.19	3.01	-4.65
CCCC1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654689	1	35	0.0	-7.66	294.19	3.01	-4.65
COC(=O)C1=NC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654690	1	35	0.0	-14.21	294.51	2.52	-11.69
CC(C)(C)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654691	1	41	0.0	-7.80	317.50	5.11	-2.69
CC1=C[NH+]=C(C)N=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654692	1	35	0.0	-58.88	282.38	3.78	-55.10
CCOC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C)=N1	REAL250004654693	1	39	0.0	-7.78	313.90	1.85	-5.93
N#CC1=NC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654694	1	30	0.0	-11.95	259.00	2.06	-9.89
O=[N+]([O-])C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL250004654695	1	32	0.0	-7.41	275.43	3.43	-3.98
CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC=C1C#N	REAL250004654696	1	34	0.0	-9.44	282.96	3.62	-5.82
CN1N=NC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C21	REAL250004654697	1	34	0.0	-9.85	280.79	2.09	-7.76
C1=NC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2S1	REAL250004654698	1	31	0.0	-10.15	267.91	2.20	-7.95
COC(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=N1	REAL250004654699	1	35	0.0	-11.90	293.72	2.09	-9.81
CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C)=C1C#N	REAL250004654700	1	37	0.0	-9.08	302.32	4.08	-5.00
N#CC1=CN=NC(N2CCN(C3=NNN=N3)CC2)=C1	REAL250004654701	1	30	0.0	-10.10	258.91	1.90	-8.20
CC1=CC(N2CCN(C3=NNN=N3)CC2)=C([N+](=O)[O-])S1	REAL250004654702	1	33	0.0	-11.41	290.40	4.77	-6.64
FC1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654703	1	29	0.0	-7.14	245.67	3.00	-4.14
N#CC1=CN=C(N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL250004654704	1	31	0.0	-8.40	267.84	3.18	-5.22
FC1=CN=C(N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004654705	1	29	0.0	-8.27	244.19	0.77	-7.50
CC1=NC(N2CCN(C3=NNN=N3)CC2)=NC=C1[N+](=O)[O-]	REAL250004654706	1	34	0.0	-7.61	284.16	4.03	-3.58
N#CC1=CN=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654707	1	30	0.0	-10.04	258.71	1.12	-8.92
N#CC1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654708	1	31	0.0	-9.89	263.61	3.10	-6.79
CC1=CC(N2CCN(C3=NNN=N3)CC2)=C(C#N)C=N1	REAL250004654709	1	34	0.0	-9.94	285.98	2.98	-6.96
FC1=NC=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654710	1	29	0.0	-9.19	241.87	0.78	-8.41
NC(=O)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654711	1	33	0.0	-9.92	275.15	-0.67	-10.59
NC(=O)C1=NC=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654712	1	33	0.0	-11.75	274.92	-1.35	-13.10
N#CC1=CN=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654713	1	30	0.0	-10.04	258.71	1.12	-8.92
CCC1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654714	1	35	0.0	-8.11	280.37	3.91	-4.20
FC1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654716	1	29	0.0	-7.87	244.34	2.46	-5.41
ClC1=CSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654718	1	27	0.0	-7.40	251.29	2.06	-5.34
CCC1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654719	1	32	0.0	-7.83	272.69	2.23	-5.60
C(C1=NSC(N2CCN(C3=NNN=N3)CC2)=N1)C1CC1	REAL250004654720	1	36	0.0	-7.60	304.29	3.78	-3.82
COC(=O)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654721	1	35	0.0	-9.36	293.90	3.12	-6.24
CN1C=CN=C(N2CCN(C3=NNN=N3)CC2)C1=O	REAL250004654722	1	33	0.0	-11.27	265.66	2.84	-8.43
COC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004654723	1	35	0.0	-10.32	293.40	1.42	-8.90
C1=NC(C2CC2)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654724	1	36	0.0	-8.19	287.86	4.56	-3.63
CC(C)CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654725	1	41	0.0	-7.86	320.95	5.21	-2.65
CCCCC1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654726	1	41	0.0	-7.96	323.37	5.48	-2.48
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654727	1	32	0.0	-9.98	271.28	3.37	-6.61
FC1=C2OC(N3CCN(C4=NNN=N4)CC3)=NC2=CC=C1	REAL250004654728	1	33	0.0	-10.26	279.22	1.28	-8.98
O=[N+]([O-])C1=NC=CC=C1N1CCN(C2=NNN=N2)CC1	REAL250004654729	1	32	0.0	-17.50	268.84	4.63	-12.87
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)C=CS1	REAL250004654730	1	30	0.0	-12.08	268.47	3.97	-8.11
CC1=CC(C#N)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654731	1	34	0.0	-8.57	285.40	3.69	-4.88
N#CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2CC2)=N1	REAL250004654732	1	37	0.0	-9.23	309.90	4.15	-5.08
CCC1=CSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654733	1	33	0.0	-7.12	276.91	2.76	-4.36
CCCOC1=CC=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654734	1	39	0.0	-7.89	314.90	3.19	-4.70
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL250004654735	1	33	0.0	-9.52	283.52	4.28	-5.24
O=C1NN=C(Cl)C=C1N1CCN(C2=NNN=N2)CC1	REAL250004654736	1	30	0.0	-9.36	269.11	0.66	-8.70
O=C1NN=C(Cl)C=C1N1CCN(C2=NNN=N2)CC1	REAL250004654737	1	30	0.0	-9.36	269.11	0.66	-8.70
CC1=CN=C(C)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654738	1	35	0.0	-7.96	282.82	2.45	-5.51
CCC1=CNC2=NC=[NH+]C(N3CCN(C4=NN=N[N-]4)CC3)=C12	REAL250004654739	1	39	0.0	-51.39	311.81	5.54	-45.85
C1=NC(C2CC2)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654740	1	36	0.0	-8.19	287.86	4.56	-3.63
C1=CC=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL250004654742	1	33	0.0	-8.58	281.68	4.04	-4.54
COC(=O)C1=CC=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654743	1	35	0.0	-10.20	295.21	3.53	-6.67
CC(C)(C)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654744	1	41	0.0	-7.80	317.50	5.11	-2.69
CCC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(CC)=N1	REAL250004654745	1	41	0.0	-8.17	323.72	4.46	-3.71
COC(=O)C1=CN=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654746	1	35	0.0	-10.07	293.51	1.41	-8.66
CC1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654747	1	29	0.0	-8.04	251.21	1.62	-6.42
FC(F)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654748	1	32	0.0	-9.42	271.27	3.41	-6.01
COCC1=NC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654749	1	36	0.0	-10.68	293.39	1.42	-9.26
CN1N=CC([N+](=O)[O-])=C1N1CCN(C2=NNN=N2)CC1	REAL250004654750	1	33	0.0	-11.36	272.99	2.60	-8.76
O=[N+]([O-])C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL250004654751	1	32	0.0	-7.41	275.43	3.43	-3.98
ClC1=CN=C(N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004654752	1	29	0.0	-7.63	254.64	1.25	-6.38
N#CC1=CC=C(Cl)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654753	1	31	0.0	-9.70	282.99	3.71	-5.99
CC1=CC(F)=C(C#N)C(N2CCN(C3=NNN=N3)CC2)=C1	REAL250004654754	1	35	0.0	-11.84	290.81	4.36	-7.48
NC1=NC(Cl)=C(N)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654755	1	33	0.0	-7.32	285.58	0.40	-6.92
CCOC1=NC(N2CCN(C3=NNN=N3)CC2)=NC=C1C	REAL250004654756	1	39	0.0	-8.08	313.70	3.12	-4.96
NC1=NC(Cl)=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654757	1	30	0.0	-7.94	266.46	3.49	-4.45
FC1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)OC2=C1	REAL250004654758	1	33	0.0	-8.02	279.23	1.07	-6.95
CC(C)(C)C1=NC=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654759	1	40	0.0	-7.61	316.39	6.20	-1.41
C1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2CCC2)=N1	REAL250004654760	1	39	0.0	-8.61	305.32	4.28	-4.33
N#CC1=CC(N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL250004654761	1	31	0.0	-10.80	261.27	1.84	-8.96
CC1=NN2C(=N1)N=CC=C2N1CCN(C2=NNN=N2)CC1	REAL250004654762	1	35	0.0	-17.26	281.19	6.61	-10.65
N#CC1=CC=NN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654763	1	30	0.0	-11.51	261.69	2.02	-9.49
COC(=O)C1=NC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654764	1	35	0.0	-14.21	294.51	2.52	-11.69
CC1=CC([N+](=O)[O-])=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654765	1	35	0.0	-8.24	294.98	4.26	-3.98
CNC1=NC(N2CCN(C3=NNN=N3)CC2)=NC=C1Cl	REAL250004654766	1	34	0.0	-7.29	290.96	3.40	-3.89
CC1=CN=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL250004654767	1	35	0.0	-10.96	291.71	5.02	-5.94
C1=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C2N=C1	REAL250004654768	1	34	0.0	-10.69	276.76	3.34	-7.35
CN1C=C([N+](=O)[O-])C(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654769	1	33	0.0	-12.92	283.52	3.08	-9.84
C1=NC(CC2CC2)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654770	1	39	0.0	-8.06	311.70	5.50	-2.56
O=CC1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654771	1	32	0.0	-10.73	266.04	2.44	-8.29
CC1=C2N=C(N3CCN(C4=NNN=N4)CC3)OC2=CC=C1	REAL250004654772	1	36	0.0	-9.83	294.25	1.64	-8.19
CC1=NC(N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL250004654773	1	35	0.0	-9.63	287.49	3.84	-5.79
C1=NN=C2C(N3CCN(C4=NNN=N4)CC3)=NC=CN12	REAL250004654774	1	32	0.0	-12.70	261.58	5.47	-7.23
FC1=CN=CC(Cl)=C1N1CCN(C2=NNN=N2)CC1	REAL250004654775	1	30	0.0	-5.86	255.52	2.01	-3.85
CN1C(=O)C=C(N2CCN(C3=NNN=N3)CC2)NC1=O	REAL250004654776	1	34	0.0	-13.72	275.67	1.95	-11.77
CCOC1=CC=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654777	1	36	0.0	-8.14	293.40	2.40	-5.74
CC1=NC2=NNC=C2C(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654778	1	35	0.0	-17.23	283.85	2.22	-15.01
CC1=C2C(=NN1)N=CN=C2N1CCN(C2=NNN=N2)CC1	REAL250004654779	1	35	0.0	-14.77	288.44	3.10	-11.67
O=C1C=C(N2CCN(C3=NNN=N3)CC2)C2=CC=CN=C2N1	REAL250004654780	1	36	0.0	-14.38	295.50	3.02	-11.36
CC1=NC=NC(N2CCN(C3=NNN=N3)CC2)=C1F	REAL250004654781	1	32	0.0	-6.95	262.79	3.15	-3.80
C1=NN2C(=N1)N=CC=C2N1CCN(C2=NNN=N2)CC1	REAL250004654782	1	32	0.0	-15.97	259.19	6.79	-9.18
ClC1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654783	1	29	0.0	-6.82	256.01	3.41	-3.41
N#CC1=NC=C(N2CCN(C3=NNN=N3)CC2)N=C1C#N	REAL250004654784	1	31	0.0	-13.04	278.44	1.31	-11.73
CSC1=NC(C)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654785	1	36	0.0	-9.65	302.57	3.62	-6.03
OC1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2C=C1	REAL250004654786	1	36	0.0	-9.26	297.84	1.92	-7.34
CN(C)C1=[NH+]C=CC(N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL250004654787	0	37	0.0	-56.08	290.58	5.42	-50.66
FC(F)C1=NN=C(N2CCN(C3=NNN=N3)CC2)S1	REAL250004654788	1	29	0.0	-8.12	265.19	1.64	-6.48
CCC(C)C1=NC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654789	1	41	0.0	-8.60	318.26	4.00	-4.60
C1=CC2=[NH+]C=CC(N3CCN(C4=NN=N[N-]4)CC3)=C2C=C1	REAL250004654790	0	36	0.0	-56.73	288.38	4.75	-51.98
CC1=NC2=CC=CN=C2N=C1N1CCN(C2=NNN=N2)CC1	REAL250004654791	1	37	0.0	-13.57	302.53	3.01	-10.56
FC(F)C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654792	1	33	0.0	-8.59	275.24	3.54	-5.05
FC1=CC(C(F)F)=CN=C1N1CCN(C2=NNN=N2)CC1	REAL250004654793	1	33	0.0	-9.12	281.29	3.67	-5.45
CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=C([N+](=O)[O-])C=[NH+]1	REAL250004654794	1	35	0.0	-69.04	290.77	4.51	-64.53
N#CC1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL250004654795	1	31	0.0	-9.89	263.61	3.10	-6.79
O=[N+]([O-])C1=CC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654796	1	32	0.0	-15.32	272.01	4.37	-10.95
C1=CN=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL250004654797	1	32	0.0	-10.73	275.72	1.94	-8.79
C1=CN2N=CN=C(N3CCN(C4=NNN=N4)CC3)C2=C1	REAL250004654798	1	33	0.0	-11.37	266.26	5.23	-6.14
COC(=O)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL250004654800	1	35	0.0	-9.36	293.90	3.12	-6.24
CC1=C[NH+]=C(C)N=C1N1CCN(C2=NN=N[N-]2)CC1	REAL250004654801	1	35	0.0	-58.88	282.38	3.78	-55.10
CC1=CN=C(C#N)N=C1N1CCN(C2=NNN=N2)CC1	REAL250004654802	1	33	0.0	-10.57	282.63	2.94	-7.63
CN1N=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C21	REAL250004654803	1	35	0.0	-9.09	287.69	2.83	-6.26
CC1=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C2C=C1	REAL250004654804	1	38	0.0	-9.03	307.60	5.56	-3.47
CCC1=CC(C#N)=C(N2CCN(C3=NNN=N3)CC2)N=C1C	REAL250004654805	1	40	0.0	-9.35	324.97	5.01	-4.34
CC(C)C1=CC=C(C#N)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654806	1	40	0.0	-9.67	326.71	4.97	-4.70
CCC1=NC(N2CCN(C3=NNN=N3)CC2)=C(C#N)C=C1C	REAL250004654807	1	40	0.0	-9.56	326.67	5.03	-4.53
CC1=CSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654808	1	30	0.0	-7.24	255.40	2.02	-5.22
CSC1=NC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654809	1	33	0.0	-9.74	280.86	3.02	-6.72
C1=NC2=C(CCO2)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL250004654810	1	34	0.0	-10.69	270.49	0.95	-9.74
N#CC1=CN=C(N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004654811	1	30	0.0	-10.12	258.66	1.13	-8.99
CN1C=NC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C21	REAL250004654812	1	35	0.0	-12.69	285.28	5.07	-7.62
O=C1C=C(N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2O1	REAL250004654813	1	36	0.0	-14.02	296.81	6.36	-7.66
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C)=[NH+]1	REAL250004654841	0	36	0.0	-52.69	290.04	4.05	-48.64
C1=CC2=C(N3CCC(CC4=NN=N[N-]4)C3)[NH+]=CN=C2N1	REAL250004654865	1	34	0.0	-50.95	276.07	4.24	-46.71
CC(C)C1=[NH+]C=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654869	1	39	0.0	-55.76	307.82	4.66	-51.10
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C2CC2)=[NH+]1	REAL250004654872	1	40	0.0	-50.94	318.51	5.63	-45.31
CCC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C)=[NH+]1	REAL250004654880	0	39	0.0	-51.56	311.47	4.78	-46.78
CC1=[NH+]C(N2CCC(CC3=NN=N[N-]3)C2)=C2C=CNC2=N1	REAL250004654885	0	37	0.0	-47.63	293.08	4.05	-43.58
CC1=[NH+]C(C)=C(C)C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654889	0	39	0.0	-51.81	301.16	4.73	-47.08
CC1=[NH+]C2=C(CCCC2)C(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654897	1	43	0.0	-52.23	331.21	6.13	-46.10
CCC1=[NH+]C(C)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004654954	0	39	0.0	-52.39	310.56	4.78	-47.61
CC1=C[NH+]=C(C)N=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004654972	1	36	0.0	-55.47	283.77	4.27	-51.20
CCC1=CNC2=NC=[NH+]C(N3CCC(CC4=NN=N[N-]4)C3)=C12	REAL250004655020	1	40	0.0	-50.46	317.21	5.97	-44.49
CCC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(CC)=[NH+]1	REAL250004655026	0	42	0.0	-51.13	332.00	5.51	-45.62
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C2CCC2)=[NH+]1	REAL250004655031	1	43	0.0	-50.82	335.20	6.07	-44.75
CN(C)C1=[NH+]C=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655070	0	38	0.0	-54.12	301.89	5.91	-48.21
CCC(C)C1=[NH+]C=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL250004655072	1	42	0.0	-56.02	326.03	5.32	-50.70
C1=CC2=[NH+]C=CC(N3CCC(CC4=NN=N[N-]4)C3)=C2C=C1	REAL250004655073	0	37	0.0	-54.25	289.13	4.55	-49.70
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=[NH+]1	REAL250004655077	1	36	0.0	-66.92	296.89	4.76	-62.16
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(CC2CC2)=[NH+]1	REAL250004655078	0	43	0.0	-53.34	341.92	6.36	-46.98
CC1=C[NH+]=C(C)N=C1N1CCC(CC2=NN=N[N-]2)C1	REAL250004655085	1	36	0.0	-55.47	283.77	4.27	-51.20
C1=CC(COCC2=N[N-]N=N2)=CC(C[NH+]2CCCCC2)=C1	REAL250004655634	0	42	0.0	-58.50	330.44	6.66	-51.84
C1=CC(COCC2=NN=N[N-]2)=CC(C[NH+]2CCCCC2)=C1	REAL250004655634	1	42	0.0	-58.44	330.50	6.67	-51.77
C1=CC(C[NH+]2CCCCC2)=CC=C1COCC1=N[N-]N=N1	REAL250004655635	0	42	0.0	-60.93	330.14	6.61	-54.32
C1=CC(C[NH+]2CCCCC2)=CC=C1COCC1=NN=N[N-]1	REAL250004655635	1	42	0.0	-60.91	330.20	6.62	-54.29
C1=CC(C[NH+]2CCOCC2)=CC=C1COCC1=NN=N[N-]1	REAL250004655645	1	40	0.0	-63.33	321.90	4.27	-59.06
CC[NH+]1CCC(NC(=O)COCC2=N[N-]N=N2)CC1	REAL250004655672	0	39	0.0	-71.39	309.48	2.53	-68.86
CC[NH+]1CCC(NC(=O)COCC2=NN=N[N-]2)CC1	REAL250004655672	1	39	0.0	-71.40	309.54	2.55	-68.85
C[N@H+](CCOCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL250004655696	0	35	0.0	-55.59	290.56	4.97	-50.62
C[N@@H+](CCOCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL250004655696	1	35	0.0	-55.47	290.68	4.98	-50.49
C[N@H+](CCOCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL250004655696	1	35	0.0	-55.63	290.61	4.99	-50.64
C[N@@H+](CCOCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL250004655696	1	35	0.0	-55.45	290.74	5.00	-50.45
CC(C)[NH+]1CCC(NC(=O)COCC2=N[N-]N=N2)CC1	REAL250004655728	0	42	0.0	-70.54	322.50	2.82	-67.72
CC(C)[NH+]1CCC(NC(=O)COCC2=NN=N[N-]2)CC1	REAL250004655728	1	42	0.0	-70.57	322.55	2.84	-67.73
O=S(=O)(C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL250004655860	1	34	0.0	-11.16	289.15	2.08	-9.08
CCN(CC)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655861	1	38	0.0	-11.12	306.92	1.03	-10.09
O=S(=O)(N1CCCC1)N1CCN(C2=NNN=N2)CC1	REAL250004655862	1	36	0.0	-10.63	292.55	0.42	-10.21
CN(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655863	1	32	0.0	-10.64	266.11	-0.75	-11.39
CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL250004655864	1	34	0.0	-14.42	293.70	-0.21	-14.63
CC(C)N(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655865	1	38	0.0	-10.29	301.44	0.54	-9.75
O=S(=O)(C1=CC=CN=C1)N1CCN(C2=NNN=N2)CC1	REAL250004655866	1	33	0.0	-12.55	284.14	0.31	-12.24
CCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655867	1	33	0.0	-11.70	274.51	0.57	-11.13
CCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655868	1	36	0.0	-11.67	296.03	1.35	-10.32
COCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655869	1	34	0.0	-11.85	286.68	-1.14	-12.99
CN1C=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004655870	1	34	0.0	-16.93	292.54	1.20	-15.73
N#CCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655871	1	34	0.0	-20.40	295.39	1.09	-19.31
CCOCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655872	1	37	0.0	-11.78	308.54	-0.18	-11.96
N#CCCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655873	1	37	0.0	-18.12	316.86	1.87	-16.25
O=S(=O)(CC1CC1)N1CCN(C2=NNN=N2)CC1	REAL250004655875	1	34	0.0	-11.96	284.61	1.35	-10.61
CCC(C)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655876	1	39	0.0	-11.32	308.47	1.96	-9.36
CC(C)(C)OC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655877	1	36	0.0	-8.11	279.31	3.14	-4.97
CCN(CC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655878	1	37	0.0	-11.16	277.16	3.29	-7.87
O=S(=O)(C1=CNC=N1)N1CCN(C2=NNN=N2)CC1	REAL250004655879	1	31	0.0	-16.77	270.45	-0.52	-17.29
COCC(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655880	1	37	0.0	-12.15	303.68	-0.28	-12.43
CN(C1CC1)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655881	1	36	0.0	-11.10	293.67	0.76	-10.34
O=S(=O)(C1CC1)N1CCN(C2=NNN=N2)CC1	REAL250004655882	1	31	0.0	-10.95	262.46	0.63	-10.32
O=S(=O)(CC1=NOC=C1)N1CCN(C2=NNN=N2)CC1	REAL250004655883	1	33	0.0	-16.69	287.92	0.09	-16.60
CC(C)(C)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655884	1	39	0.0	-10.98	304.44	1.99	-8.99
CCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655885	1	36	0.0	-11.67	296.03	1.35	-10.32
COCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655886	1	37	0.0	-13.71	308.21	-0.36	-14.07
O=S(=O)(CCCF)N1CCN(C2=NNN=N2)CC1	REAL250004655887	1	33	0.0	-14.04	281.13	0.71	-13.33
CCN(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655888	1	35	0.0	-10.63	287.80	0.20	-10.43
C=CCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655889	1	34	0.0	-11.69	287.32	1.13	-10.56
O=S(=O)(CCC1CC1)N1CCN(C2=NNN=N2)CC1	REAL250004655890	1	37	0.0	-11.79	306.14	2.14	-9.65
O=S(=O)(CC1CCC1)N1CCN(C2=NNN=N2)CC1	REAL250004655891	1	37	0.0	-11.68	301.21	1.88	-9.80
CCC(C)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655892	1	39	0.0	-11.32	308.47	1.96	-9.36
CCCN(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655893	1	38	0.0	-10.94	307.92	0.92	-10.02
CC(C)(C#N)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655894	1	37	0.0	-12.95	303.69	1.58	-11.37
O=C(N1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL250004655895	1	36	0.0	-12.22	272.68	1.17	-11.05
CCN(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL250004655896	1	40	0.0	-11.76	289.42	3.50	-8.26
CC(C)NS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655897	1	35	0.0	-10.53	287.82	-1.06	-11.59
CCCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655898	1	39	0.0	-11.71	317.51	2.13	-9.58
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004655899	1	34	0.0	-12.75	293.13	0.94	-11.81
CN1N=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655900	1	34	0.0	-12.66	286.26	-0.39	-13.05
O=S(=O)(C1COC1)N1CCN(C2=NNN=N2)CC1	REAL250004655901	1	32	0.0	-12.49	269.74	-1.57	-14.06
O=S(=O)(C1=CC=CO1)N1CCN(C2=NNN=N2)CC1	REAL250004655902	1	31	0.0	-12.45	271.83	0.08	-12.37
CN1N=NC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655903	1	33	0.0	-14.37	281.94	-1.41	-15.78
CC(C)N(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655904	1	37	0.0	-12.11	277.32	3.08	-9.03
O=S(=O)(C1=CC=CN=C1)N1CCN(C2=NNN=N2)CC1	REAL250004655905	1	33	0.0	-12.55	284.14	0.31	-12.24
O=C(OCC1CC1)N1CCN(C2=NNN=N2)CC1	REAL250004655906	1	34	0.0	-8.46	278.00	3.64	-4.82
CCCN(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655907	1	37	0.0	-12.34	282.71	3.32	-9.02
C=C(C)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655908	1	34	0.0	-11.75	285.47	1.04	-10.71
CC(C)CN(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655909	1	40	0.0	-11.48	296.55	3.71	-7.77
CCC(C)(C)N(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655910	1	43	0.0	-11.30	304.75	3.86	-7.44
O=C(OCC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL250004655911	1	30	0.0	-8.31	265.87	2.51	-5.80
COC(C)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655912	1	37	0.0	-12.98	305.82	-0.19	-13.17
O=C(N1CCSCC1)N1CCN(C2=NNN=N2)CC1	REAL250004655913	1	36	0.0	-12.04	282.33	3.35	-8.69
O=S(=O)(CCCCF)N1CCN(C2=NNN=N2)CC1	REAL250004655914	1	36	0.0	-13.17	302.60	1.49	-11.68
O=S(=O)(C1=COC=C1)N1CCN(C2=NNN=N2)CC1	REAL250004655915	1	31	0.0	-12.26	271.69	-0.03	-12.29
O=S(=O)(N1CCC1)N1CCN(C2=NNN=N2)CC1	REAL250004655916	1	33	0.0	-11.73	276.39	-0.52	-12.25
CC1CCN(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004655917	1	41	0.0	-11.18	302.56	4.21	-6.97
CC1CCCN(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004655918	1	41	0.0	-11.33	302.49	4.17	-7.16
O=C(OCC1CCCO1)N1CCN(C2=NNN=N2)CC1	REAL250004655919	1	38	0.0	-10.21	303.37	2.47	-7.74
CN(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCC1	REAL250004655920	1	41	0.0	-11.99	300.35	4.30	-7.69
CN(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCOCC1	REAL250004655921	1	42	0.0	-12.18	309.66	2.54	-9.64
O=C(OC1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL250004655922	1	38	0.0	-9.16	299.10	2.29	-6.87
CN(CC(F)(F)F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655923	1	34	0.0	-13.81	276.30	2.87	-10.94
O=C(OC1CCC1)N1CCN(C2=NNN=N2)CC1	REAL250004655924	1	34	0.0	-8.77	272.65	3.42	-5.35
O=S(=O)(C1=CC=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL250004655925	1	33	0.0	-12.21	285.75	0.15	-12.06
O=C(OCC1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL250004655926	1	43	0.0	-8.19	329.51	5.41	-2.78
C#CCCOC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655927	1	32	0.0	-9.93	273.60	3.38	-6.55
O=C(OC1CCCC1)N1CCN(C2=NNN=N2)CC1	REAL250004655929	1	37	0.0	-8.62	290.71	4.06	-4.56
C=CCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655930	1	37	0.0	-12.14	308.84	1.92	-10.22
O=S(=O)(CCl)N1CCN(C2=NNN=N2)CC1	REAL250004655931	1	27	0.0	-12.37	248.68	-0.40	-12.77
CC1(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004655932	1	34	0.0	-11.81	282.00	1.57	-10.24
CC(C)CC(C)OC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655933	1	42	0.0	-8.55	326.00	4.83	-3.72
O=C(OCCCF)N1CCN(C2=NNN=N2)CC1	REAL250004655934	1	33	0.0	-9.40	274.37	3.01	-6.39
CN1C=NN=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655935	1	33	0.0	-18.35	281.79	1.18	-17.17
O=S(=O)(CCCCl)N1CCN(C2=NNN=N2)CC1	REAL250004655936	1	33	0.0	-13.88	291.69	1.20	-12.68
CN1C=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL250004655937	1	34	0.0	-15.67	293.37	-0.34	-16.01
CC1=NOC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655938	1	33	0.0	-13.22	283.92	0.00	-13.22
O=C(NC1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL250004655939	1	41	0.0	-10.58	309.77	3.73	-6.85
CC1CCCCN1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655940	1	41	0.0	-10.35	294.83	4.08	-6.27
O=C(NC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL250004655941	1	35	0.0	-11.89	280.42	3.94	-7.95
CCCCNC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655942	1	37	0.0	-10.55	290.57	2.58	-7.97
CCC1(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004655943	1	37	0.0	-10.96	284.55	1.95	-9.01
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)F	REAL250004655944	1	26	0.0	-7.80	228.03	1.60	-6.20
C[C@@H]1CN(C(=O)N2CCN(C3=NNN=N3)CC2)C[C@H](C)O1	REAL250004655945	1	42	0.0	-11.39	314.93	2.66	-8.73
CC(C)CCOC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655946	1	39	0.0	-8.34	306.85	4.16	-4.18
O=C(OC1CCOC1)N1CCN(C2=NNN=N2)CC1	REAL250004655947	1	35	0.0	-9.43	281.16	1.49	-7.94
CCCOCCOC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655948	1	40	0.0	-9.83	323.28	3.02	-6.81
O=C(OCCC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL250004655949	1	33	0.0	-10.20	285.92	3.26	-6.94
O=C(OC1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL250004655950	1	40	0.0	-8.57	308.16	4.69	-3.88
COCC(C)OC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655951	1	37	0.0	-9.33	298.84	2.03	-7.30
O=C(N1CCN(C2=NNN=N2)CC1)N1CCC=C(Cl)C1	REAL250004655952	1	36	0.0	-10.52	289.87	3.99	-6.53
CC(C)NS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655953	1	35	0.0	-10.53	287.82	-1.06	-11.59
COCCOC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655954	1	34	0.0	-9.98	279.95	1.25	-8.73
O=S(=O)(CC1=CC=NO1)N1CCN(C2=NNN=N2)CC1	REAL250004655955	1	33	0.0	-16.69	287.90	0.37	-16.32
CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL250004655956	1	33	0.0	-18.33	287.95	-1.59	-19.92
O=S(=O)(CC1CC12CC2)N1CCN(C2=NNN=N2)CC1	REAL250004655957	1	38	0.0	-11.91	317.09	2.84	-9.07
O=S(=O)(C1=CN=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL250004655958	1	32	0.0	-13.72	279.77	-1.69	-15.41
O=C(N1CC2CC2C1)N1CCN(C2=NNN=N2)CC1	REAL250004655959	1	36	0.0	-11.91	276.02	3.59	-8.32
C=CCC1(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004655960	1	38	0.0	-11.38	295.55	2.56	-8.82
O=S(=O)(N1CCN(C2=NNN=N2)CC1)C1(Cl)CC1	REAL250004655961	1	31	0.0	-9.82	273.28	1.15	-8.67
CCCCN(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655962	1	40	0.0	-12.34	304.21	4.10	-8.24
CN(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCC1	REAL250004655963	1	38	0.0	-12.20	282.77	3.51	-8.69
O=C(N1C[C@@H]2CCC[C@@H]2C1)N1CCN(C2=NNN=N2)CC1	REAL250004655964	1	42	0.0	-11.03	306.83	4.39	-6.64
C[C@@H]1C[C@@]1(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655965	1	37	0.0	-11.84	301.68	1.86	-9.98
CC(OC(=O)N1CCN(C2=NNN=N2)CC1)C(F)(F)F	REAL250004655967	1	33	0.0	-7.97	284.52	3.15	-4.82
CN(C(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL250004655968	1	35	0.0	-11.78	267.55	3.01	-8.77
O=C(N1CC2=CC=CC=C2C1)N1CCN(C2=NNN=N2)CC1	REAL250004655969	1	39	0.0	-11.77	304.24	4.73	-7.04
O=C(N1C[C@@H]2CC[C@@H]2C1)N1CCN(C2=NNN=N2)CC1	REAL250004655970	1	39	0.0	-11.96	289.95	3.64	-8.32
CC1(C)CCCN(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004655971	1	44	0.0	-11.61	317.99	4.90	-6.71
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)N=CN1	REAL250004655972	1	34	0.0	-13.94	288.06	0.16	-13.78
O=S(=O)(CCl)N1CCN(C2=NNN=N2)CC1	REAL250004655973	1	27	0.0	-12.37	248.68	-0.40	-12.77
C#CCOCCOC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655974	1	36	0.0	-12.22	307.56	2.76	-9.46
CS(C)(=O)=NC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655975	1	33	0.0	-25.56	277.67	0.18	-25.38
O=S(=O)(C1CC12CCC2)N1CCN(C2=NNN=N2)CC1	REAL250004655976	1	38	0.0	-10.85	311.47	2.60	-8.25
O=C(N=S1(=O)CCCC1)N1CCN(C2=NNN=N2)CC1	REAL250004655977	1	37	0.0	-24.82	302.45	1.59	-23.23
O=S(=O)(N1CC2CC1C2)N1CCN(C2=NNN=N2)CC1	REAL250004655978	1	37	0.0	-10.90	300.87	0.97	-9.93
O=S(=O)(C1CC2(CC2)C1)N1CCN(C2=NNN=N2)CC1	REAL250004655979	1	38	0.0	-12.19	310.79	2.62	-9.57
CC1=COC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL250004655980	1	34	0.0	-12.57	293.11	0.79	-11.78
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL250004655981	1	34	0.0	-12.75	293.13	0.94	-11.81
O=S(=O)(C1=NNC=N1)N1CCN(C2=NNN=N2)CC1	REAL250004655982	1	30	0.0	-16.52	265.33	-0.99	-17.51
O=C(N1CCCC1=O)N1CCN(C2=NNN=N2)CC1	REAL250004655983	1	34	0.0	-22.95	265.34	3.26	-19.69
N#C[C@@H]1C[C@H]1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655984	1	35	0.0	-19.31	305.63	1.79	-17.52
CCOCCOC(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655985	1	37	0.0	-10.02	301.78	2.22	-7.80
CC1(C)COCCN1C(=O)N1CCN(C2=NNN=N2)CC1	REAL250004655986	1	42	0.0	-11.02	305.58	2.48	-8.54
O=S(=O)(C1=NNN=C1)N1CCN(C2=NNN=N2)CC1	REAL250004655987	1	30	0.0	-12.70	264.98	-2.99	-15.69
O=C(N1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL250004655988	1	38	0.0	-11.37	280.43	3.54	-7.83
O=C(N1CCN(C2=NNN=N2)CC1)N1CCCCCC1	REAL250004655989	1	41	0.0	-11.35	292.79	4.30	-7.05
CC1(C)CCN(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL250004655990	1	44	0.0	-11.41	315.95	4.50	-6.91
O=C(N1CC2CCC1C2)N1CCN(C2=NNN=N2)CC1	REAL250004655991	1	39	0.0	-11.91	289.37	3.94	-7.97
O=C(N1CCC(F)(F)C1)N1CCN(C2=NNN=N2)CC1	REAL250004655992	1	35	0.0	-11.14	278.65	2.66	-8.48
CN(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL250004655993	1	38	0.0	-13.21	289.37	4.61	-8.60
O=C(N1CC2CC1C2)N1CCN(C2=NNN=N2)CC1	REAL250004655994	1	36	0.0	-13.04	274.11	3.41	-9.63
CO[C@H]1CCN(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL250004655995	1	39	0.0	-13.14	298.84	1.48	-11.66
C[NH+](C)CCCN1C(=O)CC(NCC2=N[N-]N=N2)C1=O	REAL250004656009	0	39	0.0	-56.19	319.20	1.03	-55.16
C[NH+](C)CCCN1C(=O)CC(NCC2=NN=N[N-]2)C1=O	REAL250004656009	1	39	0.0	-56.19	319.26	1.04	-55.15
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL250004656114	1	41	0.0	-69.80	331.41	3.92	-65.88
C[NH+](C)CC(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004656146	0	43	0.0	-70.63	323.81	3.96	-66.67
C[NH+](C)CC(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004656146	1	43	0.0	-70.65	323.86	3.98	-66.67
CC(C)[NH+](CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004656207	0	46	0.0	-65.56	338.46	3.75	-61.81
CC(C)[NH+](CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004656207	1	46	0.0	-65.56	338.52	3.76	-61.80
CCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656210	0	44	0.0	-69.59	339.41	4.40	-65.19
CCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656210	1	44	0.0	-69.60	339.47	4.41	-65.19
CC(C)[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656212	0	44	0.0	-68.27	330.91	3.95	-64.32
CC(C)[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656212	1	44	0.0	-68.31	330.97	3.96	-64.35
C[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656213	0	38	0.0	-70.37	300.25	2.99	-67.38
C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656213	1	38	0.0	-70.40	300.31	3.01	-67.39
C[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004656214	0	38	0.0	-61.01	310.85	2.79	-58.22
C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004656214	1	38	0.0	-61.00	310.92	2.81	-58.19
O=C(CCCC1=N[N-]N=N1)N1CCCC([NH+]2CCCC2)C1	REAL250004656225	0	45	0.0	-64.85	337.57	5.78	-59.07
O=C(CCCC1=NN=N[N-]1)N1CCCC([NH+]2CCCC2)C1	REAL250004656225	1	45	0.0	-64.89	337.63	5.79	-59.10
CC1CCCC[N@@H+]1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656226	0	47	0.0	-69.58	350.19	4.59	-64.99
CC1CCCC[N@H+]1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656226	1	47	0.0	-69.57	350.22	4.59	-64.98
CC1CCCC[N@@H+]1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656226	1	47	0.0	-69.61	350.25	4.60	-65.01
CC1CCCC[N@H+]1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656226	1	47	0.0	-69.59	350.28	4.60	-64.99
C[NH+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656261	0	37	0.0	-60.95	309.22	2.33	-58.62
C[NH+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656261	1	37	0.0	-60.95	309.29	2.35	-58.60
C[NH+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656262	0	34	0.0	-60.29	287.72	1.54	-58.75
C[NH+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656262	1	34	0.0	-60.23	287.79	1.55	-58.68
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCOCC1	REAL250004656280	1	42	0.0	-73.81	331.53	2.00	-71.81
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCOCC1	REAL250004656280	1	42	0.0	-73.81	331.59	2.02	-71.79
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCCCC1	REAL250004656311	0	44	0.0	-70.65	339.81	4.38	-66.27
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCCCC1	REAL250004656311	1	44	0.0	-70.69	339.86	4.40	-66.29
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCCC1	REAL250004656314	0	41	0.0	-70.61	324.59	3.71	-66.90
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCCC1	REAL250004656314	1	41	0.0	-70.63	324.64	3.73	-66.90
CC1CC[NH+](CCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656315	0	47	0.0	-71.46	360.65	5.00	-66.46
CC1CC[NH+](CCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656315	1	47	0.0	-71.49	360.71	5.01	-66.48
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)CC(C)(C)[NH2+]1	REAL250004656365	0	47	0.0	-69.79	351.23	3.06	-66.73
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)CC(C)(C)[NH2+]1	REAL250004656365	1	47	0.0	-69.78	351.29	3.08	-66.70
CC(C[NH+]1CCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004656369	0	44	0.0	-69.90	336.92	4.81	-65.09
CC(C[NH+]1CCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004656369	1	44	0.0	-69.91	336.98	4.82	-65.09
CC[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656371	1	38	0.0	-71.61	292.93	4.10	-67.51
CC[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656371	1	38	0.0	-71.62	292.99	4.11	-67.51
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004656372	0	47	0.0	-70.09	332.48	5.20	-64.89
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004656372	1	47	0.0	-70.15	332.54	5.22	-64.93
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCCCC1	REAL250004656388	0	47	0.0	-65.39	343.29	4.74	-60.65
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCCCC1	REAL250004656388	1	47	0.0	-65.42	343.34	4.75	-60.67
CC[N@@H+]1CCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004656422	0	41	0.0	-66.87	315.57	3.18	-63.69
CC[N@H+]1CCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004656422	1	41	0.0	-67.23	316.78	3.74	-63.49
CC[N@@H+]1CCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004656422	1	41	0.0	-66.92	315.62	3.19	-63.73
CC[N@H+]1CCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004656422	1	41	0.0	-67.30	316.84	3.76	-63.54
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CC2)CC1	REAL250004656429	0	42	0.0	-67.61	325.11	4.19	-63.42
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CC2)CC1	REAL250004656429	1	42	0.0	-67.61	325.16	4.21	-63.40
CN(C)C1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=[NH+]1	REAL250004656442	1	40	0.0	-65.09	329.94	3.62	-61.47
CC(C)C1=[NH+]C=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004656446	1	42	0.0	-64.62	340.23	4.39	-60.23
CC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656462	0	41	0.0	-69.25	317.44	3.62	-65.63
CC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656462	1	41	0.0	-69.26	317.50	3.64	-65.62
CC[NH+](CC)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004656483	0	40	0.0	-68.37	308.37	2.83	-65.54
CC[NH+](CC)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004656483	1	40	0.0	-68.40	308.42	2.85	-65.55
CC[NH+](CC)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656484	0	40	0.0	-57.90	323.42	2.91	-54.99
CC[NH+](CC)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656484	1	40	0.0	-57.85	323.49	2.92	-54.93
C[NH+](C)C(C)(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004656498	0	40	0.0	-68.03	301.43	2.95	-65.08
C[NH+](C)C(C)(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004656498	1	40	0.0	-68.08	301.49	2.96	-65.12
C[NH+](C)C(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656499	0	40	0.0	-54.79	311.72	2.70	-52.09
C[NH+](C)C(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656499	1	40	0.0	-54.77	311.79	2.71	-52.06
CC(C)C[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656512	0	47	0.0	-68.86	356.82	5.10	-63.76
CC(C)C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656512	1	47	0.0	-68.93	356.88	5.11	-63.82
CC(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656563	0	41	0.0	-70.53	306.54	4.37	-66.16
CC(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656563	1	41	0.0	-70.55	306.60	4.38	-66.17
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004656583	0	41	0.0	-71.93	331.67	5.26	-66.67
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004656583	1	41	0.0	-71.93	331.73	5.27	-66.66
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2CCCC2)CC1	REAL250004656653	0	45	0.0	-71.45	331.39	5.74	-65.71
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2CCCC2)CC1	REAL250004656653	1	45	0.0	-71.43	331.44	5.75	-65.68
CC(C)[N@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656700	0	43	0.0	-70.09	333.04	3.72	-66.37
CC(C)[N@@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656700	1	43	0.0	-70.09	333.04	3.74	-66.35
CC(C)[N@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656700	1	43	0.0	-70.08	333.10	3.74	-66.34
CC(C)[N@@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656700	1	43	0.0	-70.07	333.10	3.76	-66.31
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+](C2CC2)C1	REAL250004656713	0	42	0.0	-68.55	333.18	4.22	-64.33
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+](C2CC2)C1	REAL250004656713	1	42	0.0	-67.95	333.83	4.33	-63.62
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+](C2CC2)C1	REAL250004656713	1	42	0.0	-68.58	333.24	4.24	-64.34
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+](C2CC2)C1	REAL250004656713	1	42	0.0	-68.03	333.89	4.34	-63.69
C[NH+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656714	0	41	0.0	-73.54	310.00	4.64	-68.90
C[NH+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656714	1	41	0.0	-73.57	310.06	4.65	-68.92
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CCCCCC1	REAL250004656715	0	44	0.0	-69.65	328.78	3.83	-65.82
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CCCCCC1	REAL250004656715	1	44	0.0	-69.66	328.84	3.84	-65.82
CC[NH+](CC)C(C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004656718	0	43	0.0	-67.01	319.27	3.73	-63.28
CC[NH+](CC)C(C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004656718	1	43	0.0	-67.02	319.33	3.75	-63.27
CN(C)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=[NH+]1	REAL250004656725	1	40	0.0	-64.26	328.65	3.68	-60.58
CC(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCCC1	REAL250004656734	0	41	0.0	-66.40	318.67	3.50	-62.90
CC(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCCC1	REAL250004656734	1	41	0.0	-66.40	318.73	3.51	-62.89
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004656736	0	44	0.0	-69.32	326.82	4.17	-65.15
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004656736	1	44	0.0	-69.28	326.88	4.19	-65.09
COCC[N@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656738	0	44	0.0	-70.91	348.94	2.38	-68.53
COCC[N@@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656738	1	44	0.0	-70.96	348.96	2.39	-68.57
COCC[N@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656738	1	44	0.0	-70.92	349.00	2.39	-68.53
COCC[N@@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656738	1	44	0.0	-71.02	349.01	2.41	-68.61
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CCCCC1	REAL250004656751	0	41	0.0	-69.12	318.31	3.59	-65.53
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CCCCC1	REAL250004656751	1	41	0.0	-69.16	318.36	3.60	-65.56
CC1CCC[N@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004656753	0	44	0.0	-69.08	339.62	4.23	-64.85
CC1CCC[N@@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004656753	1	44	0.0	-68.85	332.88	4.24	-64.61
CC1CCC[N@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004656753	1	44	0.0	-69.11	339.68	4.24	-64.87
CC1CCC[N@@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004656753	1	44	0.0	-68.90	332.94	4.25	-64.65
CC1CC(C)C[NH+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004656754	0	47	0.0	-69.52	360.47	4.81	-64.71
CC1CC(C)C[NH+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004656754	1	47	0.0	-69.51	360.53	4.83	-64.68
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+]1CCCC(C)C1	REAL250004656755	0	47	0.0	-68.05	350.01	4.81	-63.24
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+]1CCCC(C)C1	REAL250004656755	1	47	0.0	-67.72	350.28	4.87	-62.85
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+]1CCCC(C)C1	REAL250004656755	1	47	0.0	-68.03	350.07	4.83	-63.20
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@H+]1CCCC(C)C1	REAL250004656755	1	47	0.0	-67.75	350.34	4.88	-62.87
CC1CC[NH+](CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656756	0	44	0.0	-69.88	339.15	4.20	-65.68
CC1CC[NH+](CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656756	1	44	0.0	-69.92	339.21	4.22	-65.70
O=C(CCCC1=N[N-]N=N1)NCCCC[NH+]1CCOCC1	REAL250004656794	0	45	0.0	-73.56	353.02	2.77	-70.79
O=C(CCCC1=NN=N[N-]1)NCCCC[NH+]1CCOCC1	REAL250004656794	1	45	0.0	-73.54	353.08	2.79	-70.75
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+]2CCCC2C1	REAL250004656805	0	42	0.0	-68.50	319.99	4.31	-64.19
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+]2CCCC2C1	REAL250004656805	1	42	0.0	-67.05	323.41	4.12	-62.93
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+]2CCCC2C1	REAL250004656805	1	42	0.0	-68.49	320.05	4.33	-64.16
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+]2CCCC2C1	REAL250004656805	1	42	0.0	-67.10	323.47	4.14	-62.96
CC(CNC(=O)CCCC1=N[N-]N=N1)C[NH+]1CCCC1	REAL250004656843	0	44	0.0	-66.31	339.32	4.41	-61.90
CC(CNC(=O)CCCC1=NN=N[N-]1)C[NH+]1CCCC1	REAL250004656843	1	44	0.0	-66.33	339.38	4.43	-61.90
CC1=[NH+]C=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004656845	1	39	0.0	-66.32	325.73	4.07	-62.25
CC1=[NH+]C=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004656845	1	39	0.0	-66.31	325.79	4.09	-62.22
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2CC2)CC1	REAL250004656853	0	45	0.0	-69.87	349.44	5.20	-64.67
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2CC2)CC1	REAL250004656853	1	45	0.0	-69.87	349.49	5.21	-64.66
CC(C)(C)[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656861	0	47	0.0	-66.10	347.07	4.39	-61.71
CC(C)(C)[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656861	1	47	0.0	-66.11	347.13	4.41	-61.70
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004656866	0	41	0.0	-70.71	313.00	4.87	-65.84
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004656866	1	41	0.0	-70.74	313.05	4.89	-65.85
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CC2CC2)CC1	REAL250004656867	0	42	0.0	-74.05	322.38	5.41	-68.64
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC2CC2)CC1	REAL250004656867	1	42	0.0	-74.07	322.44	5.42	-68.65
CC(CNC(=O)CCCC1=N[N-]N=N1)C[NH+]1CCCCC1	REAL250004656889	0	47	0.0	-69.64	355.61	5.19	-64.45
CC(CNC(=O)CCCC1=NN=N[N-]1)C[NH+]1CCCCC1	REAL250004656889	1	47	0.0	-69.70	355.67	5.20	-64.50
CC(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCCCC1	REAL250004656900	0	44	0.0	-67.74	329.46	4.28	-63.46
CC(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCCCC1	REAL250004656900	1	44	0.0	-67.81	329.52	4.29	-63.52
C[N@@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004656902	0	38	0.0	-70.39	302.96	2.84	-67.55
C[N@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004656902	1	38	0.0	-71.76	303.17	2.87	-68.89
C[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004656902	1	38	0.0	-70.37	303.02	2.85	-67.52
C[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004656902	1	38	0.0	-71.77	303.23	2.88	-68.89
C[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004656903	0	38	0.0	-60.45	313.68	2.66	-57.79
C[N@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004656903	1	38	0.0	-60.13	313.43	2.64	-57.49
C[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004656903	1	38	0.0	-60.42	313.75	2.67	-57.75
C[N@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004656903	1	38	0.0	-60.12	313.50	2.65	-57.47
CC[NH+](CC)CCCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004656912	0	49	0.0	-70.12	375.58	5.70	-64.42
CC[NH+](CC)CCCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004656912	1	49	0.0	-70.13	375.64	5.72	-64.41
CC(C)(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004656915	0	44	0.0	-68.59	322.65	4.83	-63.76
CC(C)(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004656915	1	44	0.0	-68.62	322.71	4.85	-63.77
C[N@@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004656932	0	38	0.0	-71.41	300.25	2.98	-68.43
C[N@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004656932	1	38	0.0	-71.45	300.25	2.97	-68.48
C[N@@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004656932	1	38	0.0	-71.43	300.31	3.00	-68.43
C[N@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004656932	1	38	0.0	-71.46	300.31	2.99	-68.47
C[N@@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004656933	0	38	0.0	-59.30	306.88	3.31	-55.99
C[N@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004656933	1	38	0.0	-59.24	306.87	3.33	-55.91
C[N@@H+]1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004656933	1	38	0.0	-59.33	306.81	3.29	-56.04
C[N@H+]1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004656933	1	38	0.0	-59.28	306.80	3.31	-55.97
CC[NH+](CC)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657042	0	41	0.0	-51.39	325.28	4.73	-46.66
CC(C)[N@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657054	0	41	0.0	-50.36	323.63	4.57	-45.79
CC(C)[N@@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657054	1	41	0.0	-50.32	323.65	4.57	-45.75
CCC[N@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657079	0	41	0.0	-53.06	328.46	4.78	-48.28
CCC[N@@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657079	1	41	0.0	-53.03	328.44	4.78	-48.25
C[C@@H](C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)[NH+](C)C	REAL250004657310	0	38	0.0	-54.31	307.08	3.78	-50.53
CC1=C[NH+]=CN1CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657320	1	37	0.0	-52.65	317.94	5.67	-46.98
CC1=C[NH+]=CN1CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004657320	1	37	0.0	-52.68	317.89	5.66	-47.02
C[N@@H+]1CCC[C@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657324	1	39	0.0	-51.10	315.16	4.38	-46.72
C[N@H+]1CCC[C@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657324	1	39	0.0	-49.80	309.27	3.92	-45.88
C[N@@H+]1CCC[C@@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657325	1	39	0.0	-49.88	309.18	3.93	-45.95
C[N@H+]1CCC[C@@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004657325	1	39	0.0	-51.97	315.13	4.42	-47.55
C[C@H](C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)[NH+](C)C	REAL250004657326	0	38	0.0	-51.25	307.31	3.79	-47.46
CC[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004657473	0	44	0.0	-71.73	337.80	4.37	-67.36
CC[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004657473	1	44	0.0	-71.78	337.86	4.39	-67.39
CC(C[N@@H+]1CCCC(C)C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004657486	0	47	0.0	-69.50	358.32	5.43	-64.07
CC(C[N@H+]1CCCC(C)C1)NC(=O)CCCC1=N[N-]N=N1	REAL250004657486	1	47	0.0	-69.51	358.32	5.43	-64.08
CC(C[N@@H+]1CCCC(C)C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004657486	1	47	0.0	-69.50	358.37	5.44	-64.06
CC(C[N@H+]1CCCC(C)C1)NC(=O)CCCC1=NN=N[N-]1	REAL250004657486	1	47	0.0	-69.50	358.38	5.44	-64.06
COCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004657504	0	45	0.0	-67.95	350.51	2.84	-65.11
COCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004657504	1	45	0.0	-67.95	350.56	2.85	-65.10
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](C2CC2)C1	REAL250004657506	0	39	0.0	-68.62	312.78	3.76	-64.86
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](C2CC2)C1	REAL250004657506	1	39	0.0	-67.55	312.18	3.67	-63.88
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](C2CC2)C1	REAL250004657506	1	39	0.0	-68.60	312.84	3.77	-64.83
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](C2CC2)C1	REAL250004657506	1	39	0.0	-67.56	312.24	3.68	-63.88
O=C(NC1CC[N@@H+](C2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657507	0	39	0.0	-57.53	322.32	3.48	-54.05
O=C(NC1CC[N@H+](C2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657507	1	39	0.0	-57.55	323.45	3.44	-54.11
CC(C)[N@@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004657517	0	44	0.0	-68.29	340.74	4.05	-64.24
CC(C)[N@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004657517	1	44	0.0	-68.75	339.84	3.99	-64.76
CC(C)[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004657517	1	44	0.0	-68.32	340.79	4.06	-64.26
CC(C)[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004657517	1	44	0.0	-68.76	339.90	4.00	-64.76
C#CCC[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004657520	1	40	0.0	-76.61	320.19	5.34	-71.27
C#CCC[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004657520	1	40	0.0	-76.62	320.25	5.36	-71.26
C[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004657524	0	38	0.0	-67.47	306.39	3.15	-64.32
C[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004657524	1	38	0.0	-67.45	306.39	3.15	-64.30
C[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004657524	1	38	0.0	-67.47	306.45	3.17	-64.30
C[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004657524	1	38	0.0	-67.41	306.45	3.17	-64.24
C[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004657525	0	38	0.0	-57.62	316.98	2.97	-54.65
C[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004657525	1	38	0.0	-57.66	317.12	2.97	-54.69
C[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004657525	1	38	0.0	-57.58	317.05	2.96	-54.62
C[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004657525	1	38	0.0	-57.67	317.19	2.98	-54.69
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2CC2)CC1	REAL250004657536	1	39	0.0	-70.70	300.60	4.65	-66.05
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2CC2)CC1	REAL250004657536	1	39	0.0	-70.70	300.66	4.66	-66.04
CC[N@@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004657568	0	44	0.0	-69.59	337.77	4.35	-65.24
CC[N@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004657568	1	44	0.0	-69.55	337.79	4.35	-65.20
CC[N@@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004657568	1	44	0.0	-69.60	337.83	4.36	-65.24
CC[N@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004657568	1	44	0.0	-69.59	337.84	4.36	-65.23
CC(C)(C)[N@@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004657569	0	47	0.0	-65.21	337.93	6.07	-59.14
CC(C)(C)[N@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004657569	1	47	0.0	-65.19	337.99	6.08	-59.11
CC(C)(C)[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004657569	1	47	0.0	-65.20	337.99	6.09	-59.11
CC(C)(C)[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004657569	1	47	0.0	-65.19	338.04	6.10	-59.09
CC(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCC(C)CC1	REAL250004657576	0	47	0.0	-68.82	349.88	4.81	-64.01
CC(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCC(C)CC1	REAL250004657576	1	47	0.0	-68.84	349.93	4.82	-64.02
CC[NH+](CC)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004657580	0	43	0.0	-66.48	321.08	4.67	-61.81
CC[NH+](CC)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004657580	1	43	0.0	-66.49	321.14	4.69	-61.80
CC1=[NH+]C=CN1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004657583	1	36	0.0	-65.68	304.23	3.32	-62.36
CC1=[NH+]C=CN1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004657583	1	36	0.0	-65.67	304.29	3.34	-62.33
CC1=[NH+]C=CN1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004657584	1	36	0.0	-54.91	314.89	3.13	-51.78
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](C2CC2)CC1	REAL250004657590	0	42	0.0	-65.82	318.61	6.08	-59.74
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](C2CC2)CC1	REAL250004657590	1	42	0.0	-65.75	318.78	6.08	-59.67
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](C2CC2)CC1	REAL250004657590	1	42	0.0	-65.87	318.66	6.10	-59.77
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](C2CC2)CC1	REAL250004657590	1	42	0.0	-65.78	318.84	6.09	-59.69
CC(C)[N@@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004657592	0	47	0.0	-65.08	347.54	4.85	-60.23
CC(C)[N@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004657592	1	47	0.0	-65.05	347.54	4.85	-60.20
CC(C)[N@@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004657592	1	47	0.0	-65.07	347.60	4.86	-60.21
CC(C)[N@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004657592	1	47	0.0	-65.06	347.60	4.86	-60.20
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+]2CCCC2C1	REAL250004657605	0	42	0.0	-67.11	306.98	5.44	-61.67
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+]2CCCC2C1	REAL250004657605	1	42	0.0	-66.87	305.88	5.52	-61.35
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+]2CCCC2C1	REAL250004657605	1	42	0.0	-67.13	307.04	5.46	-61.67
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+]2CCCC2C1	REAL250004657605	1	42	0.0	-66.86	305.94	5.54	-61.32
C[NH+](C)CCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004657615	0	41	0.0	-76.37	334.58	4.24	-72.13
C[NH+](C)CCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004657615	1	41	0.0	-76.31	334.52	4.23	-72.08
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+](C)C	REAL250004657625	0	37	0.0	-56.19	297.91	2.15	-54.04
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+](C)C	REAL250004657625	1	37	0.0	-56.18	297.97	2.16	-54.02
O=C(CCCC1=N[N-]N=N1)NCC1C[N@@H+]2CCCC2CO1	REAL250004657655	0	43	0.0	-69.98	336.41	2.52	-67.46
O=C(CCCC1=N[N-]N=N1)NCC1C[N@H+]2CCCC2CO1	REAL250004657655	1	43	0.0	-65.85	330.59	2.42	-63.43
O=C(CCCC1=NN=N[N-]1)NCC1C[N@@H+]2CCCC2CO1	REAL250004657655	1	43	0.0	-69.97	336.47	2.54	-67.43
O=C(CCCC1=NN=N[N-]1)NCC1C[N@H+]2CCCC2CO1	REAL250004657655	1	43	0.0	-65.88	330.65	2.43	-63.45
CC[NH+](CC)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657823	0	38	0.0	-68.87	298.25	4.38	-64.49
CC(C)[N@H+](C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657842	0	38	0.0	-68.02	301.17	4.49	-63.53
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657842	1	38	0.0	-68.05	300.88	4.51	-63.54
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657895	1	39	0.0	-68.27	299.44	4.73	-63.54
C[N@H+]1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657895	1	39	0.0	-67.72	299.05	4.72	-63.00
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657962	1	39	0.0	-65.92	308.35	4.91	-61.01
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004657962	1	39	0.0	-68.12	299.60	4.72	-63.40
CCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004657981	0	38	0.0	-68.01	301.24	4.80	-63.21
CC(C)[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004658011	0	41	0.0	-66.33	313.03	4.90	-61.43
CC[N@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004658041	1	39	0.0	-66.72	311.17	5.13	-61.59
CC[N@@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004658041	1	39	0.0	-67.92	312.77	5.27	-62.65
CCCC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004658046	0	41	0.0	-68.76	322.74	5.56	-63.20
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@@H+]1C1CC1	REAL250004658190	1	40	0.0	-64.85	324.28	5.81	-59.04
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@H+]1C1CC1	REAL250004658190	1	40	0.0	-68.72	317.30	5.18	-63.54
C[NH+](C)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004658233	1	36	0.0	-72.85	288.11	4.66	-68.19
C[N@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL250004658299	0	39	0.0	-68.21	312.85	5.28	-62.93
C[N@@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL250004658299	1	39	0.0	-68.66	312.99	5.29	-63.37
C[C@@H]1[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@@H+]1C	REAL250004658346	0	39	0.0	-72.13	304.04	4.46	-67.67
C[C@@H]1[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@H+]1C	REAL250004658346	1	39	0.0	-72.47	308.62	4.58	-67.89
C[C@@H]1[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[N@@H+]1C	REAL250004658346	1	39	0.0	-71.86	304.14	4.47	-67.39
C[C@@H]1[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[N@H+]1C	REAL250004658346	1	39	0.0	-72.41	308.58	4.59	-67.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC[N@H+](C1)CCC2	REAL250004658363	0	40	0.0	-70.92	308.29	4.53	-66.39
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC[N@@H+](C1)CCC2	REAL250004658363	1	40	0.0	-77.32	307.55	4.63	-72.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC[N@H+](C1)CCC2	REAL250004658363	1	40	0.0	-70.91	308.25	4.54	-66.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC[N@@H+](C1)CCC2	REAL250004658363	1	40	0.0	-77.30	307.51	4.64	-72.66
C[C@@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004658389	1	35	0.0	-68.44	284.96	3.71	-64.73
CC1=C[NH+]=CN1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658411	1	34	0.0	-69.19	295.46	5.61	-63.58
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658418	1	36	0.0	-65.80	292.48	4.27	-61.53
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658418	1	36	0.0	-68.73	286.56	3.87	-64.86
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658419	1	36	0.0	-69.20	286.56	3.89	-65.31
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658419	1	36	0.0	-65.79	293.19	4.29	-61.50
C[C@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004658420	1	35	0.0	-68.42	284.61	3.71	-64.71
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004658738	0	39	0.0	-70.45	316.17	5.05	-65.40
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004658738	1	39	0.0	-70.50	316.21	5.04	-65.46
CC(C)[N@H+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658752	0	47	0.0	-70.80	340.90	5.58	-65.22
CC(C)[N@@H+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658752	1	47	0.0	-70.83	340.76	5.57	-65.26
CC(C)[N@H+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658752	1	47	0.0	-70.80	340.90	5.58	-65.22
CC(C)[N@@H+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658752	1	47	0.0	-70.83	340.76	5.57	-65.26
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+]2CCCCC2C1	REAL250004658760	0	42	0.0	-71.09	317.24	5.16	-65.93
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+]2CCCCC2C1	REAL250004658760	1	42	0.0	-71.15	317.23	5.16	-65.99
CCCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658774	0	47	0.0	-69.69	360.45	5.15	-64.54
CCCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658774	1	47	0.0	-69.70	360.51	5.17	-64.53
C[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658798	0	41	0.0	-72.80	320.15	3.71	-69.09
C[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658798	1	41	0.0	-72.81	320.21	3.73	-69.08
CC(C)[N@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004658799	0	40	0.0	-67.80	311.60	2.96	-64.84
CC(C)[N@@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004658799	1	40	0.0	-67.79	311.60	2.96	-64.83
CC(C)[N@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004658799	1	40	0.0	-67.80	311.60	2.96	-64.84
CC(C)[N@@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004658799	1	40	0.0	-67.79	311.60	2.96	-64.83
CC(C)[N@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658800	0	40	0.0	-57.65	322.20	2.75	-54.90
CC(C)[N@@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658800	1	40	0.0	-57.65	322.20	2.76	-54.89
CC(C)[N@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658800	1	40	0.0	-57.65	322.20	2.75	-54.90
CC(C)[N@@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658800	1	40	0.0	-57.65	322.20	2.76	-54.89
CC[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004658801	0	41	0.0	-66.58	325.62	3.80	-62.78
CC[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004658801	1	41	0.0	-68.27	321.71	3.70	-64.57
CC[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004658801	1	41	0.0	-66.58	325.62	3.80	-62.78
CC[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004658801	1	41	0.0	-68.27	321.71	3.70	-64.57
COCC[N@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004658815	0	41	0.0	-69.83	327.50	1.60	-68.23
COCC[N@@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004658815	1	41	0.0	-70.14	327.52	1.61	-68.53
COCC[N@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004658815	1	41	0.0	-69.83	327.50	1.60	-68.23
COCC[N@@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004658815	1	41	0.0	-70.14	327.52	1.61	-68.53
C[NH+]1CCC(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658827	0	44	0.0	-70.22	340.38	4.25	-65.97
C[NH+]1CCC(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658827	1	44	0.0	-70.27	340.44	4.27	-66.00
CC[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004658831	0	43	0.0	-66.42	325.93	3.39	-63.03
CC[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004658831	1	43	0.0	-67.80	320.20	3.26	-64.54
CC[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004658831	1	43	0.0	-66.42	325.93	3.39	-63.03
CC[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004658831	1	43	0.0	-67.80	320.20	3.26	-64.54
CCC(C)[N@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004658836	0	43	0.0	-68.14	329.86	3.58	-64.56
CCC(C)[N@@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004658836	1	43	0.0	-67.33	326.76	3.54	-63.79
CCC(C)[N@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004658836	1	43	0.0	-68.14	329.86	3.58	-64.56
CCC(C)[N@@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004658836	1	43	0.0	-67.33	326.76	3.54	-63.79
CC(C)[NH2+]C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004658843	0	44	0.0	-68.69	332.72	3.93	-64.76
CC(C)[NH2+]C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004658843	1	44	0.0	-68.70	332.78	3.94	-64.76
C[NH+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004658853	0	38	0.0	-71.93	300.27	3.97	-67.96
C[NH+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004658853	1	38	0.0	-71.92	300.33	3.99	-67.93
C[NH+](C)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004658854	0	38	0.0	-62.40	307.20	4.14	-58.26
C[NH+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004658854	1	38	0.0	-62.28	307.27	4.14	-58.14
CC(C)[N@@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658859	0	44	0.0	-67.27	322.23	5.68	-61.59
CC(C)[N@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658859	1	44	0.0	-66.67	321.99	5.71	-60.96
CC(C)[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658859	1	44	0.0	-67.27	322.23	5.68	-61.59
CC(C)[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658859	1	44	0.0	-66.67	321.99	5.71	-60.96
O=C(CCCC1=N[N-]N=N1)N1CCC([NH+]2CCCC2)C1	REAL250004658861	0	42	0.0	-69.82	326.83	5.18	-64.64
O=C(CCCC1=NN=N[N-]1)N1CCC([NH+]2CCCC2)C1	REAL250004658861	1	42	0.0	-69.84	326.89	5.19	-64.65
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+](C)C1CC1	REAL250004658868	0	41	0.0	-68.80	317.67	3.73	-65.07
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+](C)C1CC1	REAL250004658868	1	41	0.0	-66.93	317.73	3.73	-63.20
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@H+](C)C1CC1	REAL250004658868	1	41	0.0	-68.80	317.67	3.73	-65.07
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+](C)C1CC1	REAL250004658868	1	41	0.0	-66.93	317.73	3.73	-63.20
CN(C)CC(=O)NNC(=O)CCCC1=N[N-]N=N1	REAL250004658894	0	35	0.0	-70.04	292.15	0.67	-69.37
C[NH+](C)CC(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL250004658894	1	35	0.0	-70.04	292.15	0.67	-69.37
CN(CC[NH+]1CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004658899	0	41	0.0	-63.22	320.91	5.04	-58.18
CN(CC[NH+]1CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004658899	1	41	0.0	-63.25	320.97	5.06	-58.19
CCC[NH+](CCC)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004658902	0	49	0.0	-71.21	377.32	5.40	-65.81
CCC[NH+](CCC)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004658902	1	49	0.0	-71.24	377.38	5.41	-65.83
C[NH+](C)C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004658915	0	41	0.0	-66.89	310.29	4.60	-62.29
C[NH+](C)C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004658915	1	41	0.0	-66.91	310.34	4.61	-62.30
C[NH+](C)C1CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004658922	0	44	0.0	-69.97	329.32	4.24	-65.73
C[NH+](C)C1CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004658922	1	44	0.0	-69.95	329.38	4.26	-65.69
CC1CN(C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004658924	0	38	0.0	-73.98	292.14	4.23	-69.75
CC1CN(C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004658924	1	38	0.0	-73.97	292.16	4.25	-69.72
CC1C[N@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004658924	1	38	0.0	-73.97	292.20	4.24	-69.73
CC1C[N@@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004658924	1	38	0.0	-74.00	292.22	4.26	-69.74
CC1C[N@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004658924	1	38	0.0	-73.97	292.20	4.24	-69.73
CC1C[N@@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004658924	1	38	0.0	-74.00	292.22	4.26	-69.74
CC1CN(C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004658925	0	38	0.0	-58.98	299.82	4.51	-54.47
CC1CN(C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658925	1	38	0.0	-59.01	299.86	4.51	-54.50
CC1C[N@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658925	1	38	0.0	-58.98	299.82	4.51	-54.47
CC1C[N@@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004658925	1	38	0.0	-59.01	299.86	4.51	-54.50
O=C(CCCC1=N[N-]N=N1)N1CCC([NH+]2CCCC2)CC1	REAL250004658946	0	45	0.0	-72.64	331.12	5.50	-67.14
O=C(CCCC1=NN=N[N-]1)N1CCC([NH+]2CCCC2)CC1	REAL250004658946	1	45	0.0	-72.63	331.18	5.51	-67.12
C=CC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658956	0	42	0.0	-69.21	331.16	4.22	-64.99
C=CC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658956	1	42	0.0	-69.26	331.21	4.24	-65.02
C=C(C)C[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658957	0	45	0.0	-69.22	349.82	4.76	-64.46
C=C(C)C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658957	1	45	0.0	-69.21	349.87	4.77	-64.44
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+]2CCCC2C1	REAL250004658979	0	39	0.0	-70.39	298.89	4.53	-65.86
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+]2CCCC2C1	REAL250004658979	1	39	0.0	-70.46	298.87	4.51	-65.95
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+]2CCCC2C1	REAL250004658979	1	39	0.0	-70.39	298.94	4.54	-65.85
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+]2CCCC2C1	REAL250004658979	1	39	0.0	-70.47	298.93	4.53	-65.94
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@@H+]2CCCC2C1	REAL250004658980	0	39	0.0	-55.20	306.80	4.77	-50.43
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@H+]2CCCC2C1	REAL250004658980	1	39	0.0	-55.30	306.77	4.75	-50.55
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@@H+]2CCCC2C1	REAL250004658980	1	39	0.0	-55.25	306.73	4.76	-50.49
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@H+]2CCCC2C1	REAL250004658980	1	39	0.0	-55.32	306.71	4.74	-50.58
CC(O)C[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004658981	1	42	0.0	-74.03	324.85	1.63	-72.40
CC(O)C[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004658981	1	42	0.0	-74.00	324.90	1.64	-72.36
CN(CC1CC[NH+](C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004658984	0	44	0.0	-63.02	333.74	5.57	-57.45
CN(CC1CC[NH+](C)CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004658984	1	44	0.0	-63.05	333.80	5.59	-57.46
O=C(CCCC1=N[N-]N=N1)N1CCCC1C[NH+]1CCCC1	REAL250004658997	0	45	0.0	-61.80	342.76	5.96	-55.84
O=C(CCCC1=NN=N[N-]1)N1CCCC1C[NH+]1CCCC1	REAL250004658997	1	45	0.0	-61.80	342.81	5.98	-55.82
CC(CN1CC[NH+](C)CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004659006	0	46	0.0	-68.61	356.10	2.27	-66.34
CC(CN1CC[NH+](C)CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004659006	1	46	0.0	-68.62	356.16	2.28	-66.34
CC1CCCC(C)[NH+]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659038	0	47	0.0	-65.34	345.47	4.29	-61.05
CC1CCCC(C)[NH+]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659038	1	47	0.0	-65.40	345.53	4.31	-61.09
C[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004659047	0	44	0.0	-68.85	337.22	4.31	-64.54
C[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004659047	1	44	0.0	-68.93	337.19	4.33	-64.60
C[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004659047	1	44	0.0	-68.80	337.27	4.33	-64.47
C[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004659047	1	44	0.0	-68.92	337.25	4.34	-64.58
CCCC[N@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659051	0	43	0.0	-70.62	337.85	3.93	-66.69
CCCC[N@@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659051	1	43	0.0	-70.62	337.85	3.93	-66.69
CCCC[N@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659051	1	43	0.0	-70.63	337.91	3.94	-66.69
CCCC[N@@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659051	1	43	0.0	-70.60	337.91	3.94	-66.66
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CCSCC1	REAL250004659055	0	39	0.0	-73.97	317.86	3.38	-70.59
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CCSCC1	REAL250004659055	1	39	0.0	-74.01	317.92	3.39	-70.62
CCC1CCCC[N@@H+]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659065	0	47	0.0	-66.91	353.20	4.70	-62.21
CCC1CCCC[N@H+]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659065	1	47	0.0	-66.95	353.62	4.72	-62.23
CCC1CCCC[N@@H+]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659065	1	47	0.0	-66.94	353.26	4.72	-62.22
CCC1CCCC[N@H+]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659065	1	47	0.0	-66.96	353.68	4.74	-62.22
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](CC2CC2)C1	REAL250004659075	0	42	0.0	-70.32	333.09	4.46	-65.86
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](CC2CC2)C1	REAL250004659075	1	42	0.0	-71.24	332.58	4.57	-66.67
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](CC2CC2)C1	REAL250004659075	1	42	0.0	-70.36	333.15	4.48	-65.88
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](CC2CC2)C1	REAL250004659075	1	42	0.0	-71.27	332.64	4.58	-66.69
CCC(C[NH+]1CCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004659080	0	44	0.0	-68.55	338.21	4.76	-63.79
CCC(C[NH+]1CCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004659080	1	44	0.0	-68.59	338.26	4.78	-63.81
CC[N@@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004659087	0	44	0.0	-67.03	330.94	4.56	-62.47
CC[N@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004659087	1	44	0.0	-66.33	330.85	4.54	-61.79
CC[N@@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004659087	1	44	0.0	-67.04	331.00	4.57	-62.47
CC[N@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004659087	1	44	0.0	-66.32	330.90	4.56	-61.76
CN1CC[N@H+](C)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004659093	0	43	0.0	-72.92	332.09	1.50	-71.42
CN1CC[N@@H+](C)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004659093	1	43	0.0	-71.95	332.34	1.61	-70.34
CN1CC[N@H+](C)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004659093	1	43	0.0	-72.92	332.14	1.52	-71.40
CN1CC[N@@H+](C)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004659093	1	43	0.0	-71.98	332.39	1.63	-70.35
CC1C[N@@H+]2CCCCC2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004659095	0	45	0.0	-69.05	331.77	5.73	-63.32
CC1C[N@H+]2CCCCC2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004659095	1	45	0.0	-69.10	333.43	5.90	-63.20
CC1C[N@@H+]2CCCCC2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004659095	1	45	0.0	-69.05	331.83	5.75	-63.30
CC1C[N@H+]2CCCCC2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004659095	1	45	0.0	-69.16	333.49	5.92	-63.24
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2CCC2)CC1	REAL250004659104	0	42	0.0	-70.50	321.99	5.46	-65.04
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2CCC2)CC1	REAL250004659104	1	42	0.0	-70.50	322.04	5.47	-65.03
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC[N@H+](C)C1	REAL250004659117	0	41	0.0	-67.89	313.79	4.78	-63.11
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC[N@@H+](C)C1	REAL250004659117	1	41	0.0	-60.96	302.64	4.89	-56.07
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC[N@H+](C)C1	REAL250004659117	1	41	0.0	-67.90	313.84	4.80	-63.10
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC[N@@H+](C)C1	REAL250004659117	1	41	0.0	-60.95	302.70	4.90	-56.05
C[NH+]1CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659136	0	42	0.0	-73.22	326.41	0.83	-72.39
C[NH+]1CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659136	1	42	0.0	-73.21	326.47	0.84	-72.37
CC[N@@H+]1CCOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004659155	1	42	0.0	-71.64	331.15	2.01	-69.63
CC[N@H+]1CCOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004659155	1	42	0.0	-71.49	330.87	2.07	-69.42
O=C(CCCC1=N[N-]N=N1)N1CCC([NH+]2CCCCC2)C1	REAL250004659205	0	45	0.0	-69.66	341.67	5.82	-63.84
O=C(CCCC1=NN=N[N-]1)N1CCC([NH+]2CCCCC2)C1	REAL250004659205	1	45	0.0	-69.61	341.73	5.84	-63.77
O=C(CCCC1=NN=N[N-]1)NC1=NN(C2=CC=[NH+]C=C2)C=C1	REAL250004659209	1	36	0.0	-74.19	309.65	4.21	-69.98
COCC[N@@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004659211	0	42	0.0	-71.04	331.87	2.41	-68.63
COCC[N@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004659211	1	42	0.0	-70.62	333.70	2.15	-68.47
COCC[N@@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004659211	1	42	0.0	-71.07	331.93	2.43	-68.64
COCC[N@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004659211	1	42	0.0	-70.66	333.76	2.17	-68.49
CC(NC(=O)CCCC1=N[N-]N=N1)C(C)(C)C[NH+](C)C	REAL250004659225	0	46	0.0	-71.88	337.75	4.52	-67.36
CC(NC(=O)CCCC1=NN=N[N-]1)C(C)(C)C[NH+](C)C	REAL250004659225	1	46	0.0	-71.86	337.81	4.54	-67.32
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004659229	0	45	0.0	-72.36	327.54	2.12	-70.24
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004659229	1	45	0.0	-72.37	327.60	2.14	-70.23
C[C@@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004659359	1	39	0.0	-67.27	315.49	3.27	-64.00
C[C@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL250004659364	1	39	0.0	-67.80	315.11	3.27	-64.53
O=C(CCCC1=N[N-]N=N1)N1CCC(C[NH+]2CCCC2)C1	REAL250004659417	0	45	0.0	-74.02	346.52	5.96	-68.06
O=C(CCCC1=NN=N[N-]1)N1CCC(C[NH+]2CCCC2)C1	REAL250004659417	1	45	0.0	-74.03	346.58	5.97	-68.06
CC(CNC(=O)CCCC1=N[N-]N=N1)N1CC[NH+](C)CC1	REAL250004659421	0	46	0.0	-70.82	348.61	1.95	-68.87
CC(CNC(=O)CCCC1=NN=N[N-]1)N1CC[NH+](C)CC1	REAL250004659421	1	46	0.0	-70.84	348.67	1.97	-68.87
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=NC(C)=[NH+]1	REAL250004659454	0	36	0.0	-62.50	308.54	3.07	-59.43
CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=NC(C)=[NH+]1	REAL250004659454	1	36	0.0	-62.53	308.60	3.08	-59.45
CC(C)(C)[NH2+]CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659458	0	40	0.0	-70.08	315.26	1.51	-68.57
CC(C)(C)[NH2+]CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659458	1	40	0.0	-70.04	315.32	1.53	-68.51
CC(C)(C)[NH2+]CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659459	0	40	0.0	-60.32	325.86	1.30	-59.02
CC(C)(C)[NH2+]CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659459	1	40	0.0	-60.29	325.92	1.33	-58.96
CN(C)C1=[NH+]C=CC(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659461	1	38	0.0	-63.76	319.60	4.97	-58.79
CC(NC(=O)CCCC1=N[N-]N=N1)C1C[N@H+](C)CCN1C	REAL250004659472	0	46	0.0	-75.67	346.78	2.18	-73.49
CC(NC(=O)CCCC1=N[N-]N=N1)C1C[N@@H+](C)CCN1C	REAL250004659472	1	46	0.0	-75.68	346.41	2.18	-73.50
CC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@H+](C)CCN1C	REAL250004659472	1	46	0.0	-75.68	346.83	2.20	-73.48
CC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@@H+](C)CCN1C	REAL250004659472	1	46	0.0	-75.72	346.47	2.19	-73.53
O=C(CCCC1=N[N-]N=N1)NCCC[NH2+]C1CCCCC1	REAL250004659480	0	47	0.0	-76.12	362.32	3.72	-72.40
O=C(CCCC1=NN=N[N-]1)NCCC[NH2+]C1CCCCC1	REAL250004659480	1	47	0.0	-76.10	362.38	3.74	-72.36
C#CCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659510	0	43	0.0	-73.34	345.20	4.93	-68.41
C#CCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659510	1	43	0.0	-73.44	345.25	4.94	-68.50
CC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1C	REAL250004659512	0	44	0.0	-71.27	323.37	4.95	-66.32
CC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1C	REAL250004659512	1	44	0.0	-71.28	323.36	4.96	-66.32
CC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1C	REAL250004659512	1	44	0.0	-71.26	323.43	4.97	-66.29
CC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1C	REAL250004659512	1	44	0.0	-71.31	323.42	4.97	-66.34
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CC=CC1	REAL250004659514	0	36	0.0	-69.88	294.32	2.69	-67.19
O=C(NCC[NH+]1CC=CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659515	1	36	0.0	-59.41	304.93	2.48	-56.93
CC1=[NH+]C=CN1CCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004659529	1	42	0.0	-67.23	347.29	4.88	-62.35
C[NH+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659544	0	44	0.0	-76.42	332.19	5.59	-70.83
C[NH+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659544	1	44	0.0	-76.42	332.24	5.60	-70.82
CC[NH+](CC)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659545	0	47	0.0	-70.91	340.24	5.63	-65.28
CC[NH+](CC)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659545	1	47	0.0	-70.95	340.30	5.64	-65.31
CC(CNC(=O)CCCC1=N[N-]N=N1)C[NH+]1CCOCC1	REAL250004659552	1	45	0.0	-72.66	347.00	2.80	-69.86
CC(CNC(=O)CCCC1=NN=N[N-]1)C[NH+]1CCOCC1	REAL250004659552	1	45	0.0	-72.69	347.06	2.81	-69.88
CC1C[N@H+](C)CCC1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004659555	0	44	0.0	-72.46	333.55	5.72	-66.74
CC1C[N@@H+](C)CCC1N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004659555	1	44	0.0	-73.04	325.92	5.28	-67.76
CC1C[N@H+](C)CCC1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004659555	1	44	0.0	-72.51	333.60	5.74	-66.77
CC1C[N@@H+](C)CCC1N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004659555	1	44	0.0	-73.05	325.98	5.30	-67.75
CC[NH+](CC)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659620	0	47	0.0	-73.70	351.85	5.87	-67.83
CC[NH+](CC)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659620	1	47	0.0	-73.72	351.91	5.89	-67.83
C[NH+](C)C1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004659639	0	44	0.0	-75.70	330.23	4.55	-71.15
C[NH+](C)C1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004659639	1	44	0.0	-75.71	330.28	4.57	-71.14
C[NH+](C)CC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004659657	0	44	0.0	-58.11	321.40	5.12	-52.99
C[NH+](C)CC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004659657	1	44	0.0	-58.10	321.46	5.14	-52.96
CC[N@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659662	0	44	0.0	-74.28	338.36	5.43	-68.85
CC[N@@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659662	1	44	0.0	-74.32	338.35	5.44	-68.88
CC[N@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659662	1	44	0.0	-74.28	338.42	5.45	-68.83
CC[N@@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659662	1	44	0.0	-74.28	338.41	5.46	-68.82
CCC[N@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659669	0	47	0.0	-75.00	359.86	6.18	-68.82
CCC[N@@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659669	1	47	0.0	-75.01	359.85	6.19	-68.82
CCC[N@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659669	1	47	0.0	-75.00	359.92	6.19	-68.81
CCC[N@@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659669	1	47	0.0	-75.03	359.91	6.20	-68.83
COCCC[N@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659672	0	44	0.0	-73.22	350.03	2.23	-70.99
COCCC[N@@H+](C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659672	1	44	0.0	-73.20	350.03	2.24	-70.96
COCCC[N@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659672	1	44	0.0	-73.25	350.09	2.24	-71.01
COCCC[N@@H+](C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659672	1	44	0.0	-73.23	350.08	2.25	-70.98
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1C	REAL250004659676	0	41	0.0	-69.84	309.95	3.18	-66.66
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CC[N@H+]1C	REAL250004659676	1	41	0.0	-68.17	317.03	3.49	-64.68
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1C	REAL250004659676	1	41	0.0	-69.85	310.01	3.19	-66.66
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CC[N@H+]1C	REAL250004659676	1	41	0.0	-68.18	317.08	3.50	-64.68
CC[NH+](CC)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004659684	0	44	0.0	-69.52	331.54	5.03	-64.49
CC[NH+](CC)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004659684	1	44	0.0	-69.53	331.60	5.04	-64.49
C[N@@H+]1C2CCC1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004659687	0	42	0.0	-64.49	296.78	4.67	-59.82
C[N@H+]1C2CCC1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004659687	1	42	0.0	-62.74	309.87	5.31	-57.43
C[N@@H+]1C2CCC1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004659687	1	42	0.0	-64.50	296.83	4.68	-59.82
C[N@H+]1C2CCC1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004659687	1	42	0.0	-62.74	309.92	5.32	-57.42
COC1CC[NH+](CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004659692	0	45	0.0	-72.98	351.46	2.64	-70.34
COC1CC[NH+](CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004659692	1	45	0.0	-72.99	351.52	2.65	-70.34
CCC[N@H+](CC)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659712	0	43	0.0	-68.51	334.33	3.85	-64.66
CCC[N@@H+](CC)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004659712	1	43	0.0	-68.76	329.84	3.57	-65.19
CCC[N@H+](CC)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659712	1	43	0.0	-68.51	334.39	3.87	-64.64
CCC[N@@H+](CC)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004659712	1	43	0.0	-68.76	329.90	3.58	-65.18
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCSC1	REAL250004659725	0	42	0.0	-70.14	322.10	3.84	-66.30
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCSC1	REAL250004659725	1	42	0.0	-70.19	322.15	3.86	-66.33
C[NH+](C)CCCN(CCC#N)C(=O)CCCC1=N[N-]N=N1	REAL250004659733	0	44	0.0	-73.00	357.54	6.06	-66.94
C[NH+](C)CCCN(CCC#N)C(=O)CCCC1=NN=N[N-]1	REAL250004659733	1	44	0.0	-72.98	357.60	6.08	-66.90
CN(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=[NH+]1	REAL250004659753	0	37	0.0	-58.08	302.33	3.59	-54.49
CC(C)[NH+](CCCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004659768	0	49	0.0	-67.69	359.92	4.56	-63.13
CC(C)[NH+](CCCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004659768	1	49	0.0	-67.68	359.98	4.57	-63.11
C[NH+](C)CC1=CC=NC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659812	0	40	0.0	-82.93	327.85	4.96	-77.97
C[NH+](C)CC1=CC=NC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659812	1	40	0.0	-82.96	327.91	4.98	-77.98
CC[N@@H+]1CCC2CCC(C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004659840	0	45	0.0	-66.59	327.44	6.42	-60.17
CC[N@H+]1CCC2CCC(C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004659840	1	45	0.0	-66.49	327.57	6.43	-60.06
CC[N@@H+]1CCC2CCC(C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004659840	1	45	0.0	-66.55	327.49	6.44	-60.11
CC[N@H+]1CCC2CCC(C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004659840	1	45	0.0	-66.52	327.62	6.44	-60.08
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCC(O)CC1	REAL250004659844	0	45	0.0	-74.33	351.35	1.07	-73.26
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCC(O)CC1	REAL250004659844	1	45	0.0	-74.38	351.40	1.08	-73.30
CC(C)CC(C[NH+](C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004659861	0	46	0.0	-72.96	352.84	4.82	-68.14
CC(C)CC(C[NH+](C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004659861	1	46	0.0	-72.98	352.90	4.83	-68.15
C[N@@H+]1CCCC2CN(C(=O)CCCC3=N[N-]N=N3)CCC21	REAL250004659876	0	45	0.0	-74.26	326.10	5.22	-69.04
C[N@H+]1CCCC2CN(C(=O)CCCC3=N[N-]N=N3)CCC21	REAL250004659876	1	45	0.0	-73.48	333.29	5.60	-67.88
C[N@@H+]1CCCC2CN(C(=O)CCCC3=NN=N[N-]3)CCC21	REAL250004659876	1	45	0.0	-74.28	326.16	5.24	-69.04
C[N@H+]1CCCC2CN(C(=O)CCCC3=NN=N[N-]3)CCC21	REAL250004659876	1	45	0.0	-73.52	333.35	5.62	-67.90
NC1=CN=[NH+]C(NNC(=O)CCCC2=NN=N[N-]2)=C1Cl	REAL250004659880	1	32	0.0	-62.79	291.00	-0.15	-62.94
CC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@H+](C)CCO1	REAL250004659974	1	42	0.0	-73.04	321.77	1.74	-71.30
CC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@@H+](C)CCO1	REAL250004659974	1	42	0.0	-72.21	330.18	2.61	-69.60
CC1C[N@@H+](C2CC2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL250004659986	0	42	0.0	-63.84	329.25	4.69	-59.15
CC1C[N@H+](C2CC2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL250004659986	1	42	0.0	-63.58	332.60	4.22	-59.36
CC1C[N@@H+](C2CC2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL250004659986	1	42	0.0	-63.85	329.31	4.70	-59.15
CC1C[N@H+](C2CC2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL250004659986	1	42	0.0	-63.57	332.66	4.24	-59.33
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C[N@@H+]1C1CC1	REAL250004660049	0	42	0.0	-66.45	332.48	4.31	-62.14
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C[N@H+]1C1CC1	REAL250004660049	1	42	0.0	-66.46	325.03	3.90	-62.56
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C[N@@H+]1C1CC1	REAL250004660049	1	42	0.0	-66.49	332.53	4.32	-62.17
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C[N@H+]1C1CC1	REAL250004660049	1	42	0.0	-66.46	325.09	3.91	-62.55
CCOC(CC[NH+](C)C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660058	0	47	0.0	-71.74	371.70	3.42	-68.32
CCOC(CC[NH+](C)C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660058	1	47	0.0	-71.73	371.75	3.44	-68.29
CC(C)CN(CC[NH+](C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004660065	0	46	0.0	-65.68	349.73	6.04	-59.64
CC(C)CN(CC[NH+](C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004660065	1	46	0.0	-65.67	349.79	6.06	-59.61
CC(C)C[N@@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004660091	0	47	0.0	-69.77	361.30	4.99	-64.78
CC(C)C[N@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004660091	1	47	0.0	-69.78	361.15	4.97	-64.81
CC(C)C[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004660091	1	47	0.0	-69.81	361.35	5.00	-64.81
CC(C)C[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004660091	1	47	0.0	-69.81	361.21	4.98	-64.83
CC[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004660136	0	41	0.0	-70.98	305.67	4.73	-66.25
CC[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004660136	1	41	0.0	-71.01	305.63	4.71	-66.30
CC[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004660136	1	41	0.0	-70.95	305.73	4.75	-66.20
CC[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004660136	1	41	0.0	-71.00	305.68	4.73	-66.27
C[NH+]1CCC2(CCCN2C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660187	0	45	0.0	-46.66	322.69	5.34	-41.32
C[NH+]1CCC2(CCCN2C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660187	1	45	0.0	-46.69	322.75	5.35	-41.34
CC1C[N@H+](C)C(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004660188	0	41	0.0	-72.94	304.30	4.86	-68.08
CC1C[N@@H+](C)C(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004660188	1	41	0.0	-70.71	307.00	4.51	-66.20
CC1C[N@H+](C)C(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004660188	1	41	0.0	-72.95	304.36	4.87	-68.08
CC1C[N@@H+](C)C(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004660188	1	41	0.0	-70.69	307.06	4.54	-66.15
CC1=[NH+]C=CN1CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL250004660213	1	42	0.0	-64.24	343.82	6.21	-58.03
CC1=[NH+]C=CN1CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL250004660213	1	42	0.0	-64.23	343.88	6.22	-58.01
CC1=C[NH+]=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660274	1	39	0.0	-68.77	326.06	4.81	-63.96
CC1=C[NH+]=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660274	1	39	0.0	-68.76	326.00	4.80	-63.96
C[NH+](C)CC(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004660314	0	41	0.0	-67.19	317.35	0.63	-66.56
C[NH+](C)CC(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004660314	1	41	0.0	-67.28	317.41	0.65	-66.63
O=C(NCC[NH+]1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660318	1	35	0.0	-59.19	297.26	2.01	-57.18
C[NH+]1CCC(C)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660331	0	44	0.0	-73.13	330.49	4.13	-69.00
C[NH+]1CCC(C)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660331	1	44	0.0	-73.17	330.55	4.15	-69.02
C[N@@H+]1CCCC12CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004660393	0	45	0.0	-70.74	326.32	5.11	-65.63
C[N@H+]1CCCC12CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004660393	1	45	0.0	-70.79	326.32	5.10	-65.69
C[N@@H+]1CCCC12CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004660393	1	45	0.0	-70.81	326.38	5.13	-65.68
C[N@H+]1CCCC12CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004660393	1	45	0.0	-70.75	326.38	5.11	-65.64
C[N@H+]1CC=C(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660395	0	39	0.0	-73.97	313.80	3.53	-70.44
C[N@@H+]1CC=C(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660395	1	39	0.0	-74.50	313.79	3.53	-70.97
C[N@H+]1CC=C(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660395	1	39	0.0	-74.01	313.86	3.55	-70.46
C[N@@H+]1CC=C(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660395	1	39	0.0	-74.49	313.85	3.55	-70.94
C[N@H+]1CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004660396	0	39	0.0	-60.89	324.38	3.33	-57.56
C[N@@H+]1CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004660396	1	39	0.0	-60.51	324.40	3.32	-57.19
C[N@H+]1CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004660396	1	39	0.0	-60.87	324.45	3.33	-57.54
C[N@@H+]1CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004660396	1	39	0.0	-60.46	324.47	3.32	-57.14
C[NH+](C)CCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004660416	0	41	0.0	-68.97	331.50	2.00	-66.97
C[NH+](C)CCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004660416	1	41	0.0	-68.96	331.56	2.02	-66.94
CC1C(C)[N@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660470	0	41	0.0	-71.91	303.66	4.40	-67.51
CC1C(C)[N@@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004660470	1	41	0.0	-72.21	303.69	4.37	-67.84
CC1C(C)[N@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660470	1	41	0.0	-71.92	303.72	4.42	-67.50
CC1C(C)[N@@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004660470	1	41	0.0	-72.23	303.74	4.39	-67.84
CC[N@@H+]1CC(C)N(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004660498	0	44	0.0	-71.08	322.12	5.51	-65.57
CC[N@H+]1CC(C)N(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL250004660498	1	44	0.0	-71.08	322.13	5.50	-65.58
CC[N@@H+]1CC(C)N(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004660498	1	44	0.0	-71.13	322.18	5.52	-65.61
CC[N@H+]1CC(C)N(C(=O)CCCC2=NN=N[N-]2)CC1C	REAL250004660498	1	44	0.0	-71.13	322.19	5.52	-65.61
C[NH+](C)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004660509	0	35	0.0	-62.38	294.26	3.16	-59.22
C[NH+](C)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004660509	1	35	0.0	-62.38	294.33	3.17	-59.21
CCCN(CC[NH+](C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004660572	0	43	0.0	-65.51	336.69	5.57	-59.94
CCCN(CC[NH+](C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004660572	1	43	0.0	-65.52	336.75	5.59	-59.93
CCC(CO)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660573	0	45	0.0	-68.76	332.15	2.36	-66.40
CCC(CO)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660573	1	45	0.0	-68.77	332.21	2.38	-66.39
CSC1CN(C(=O)CCCC2=N[N-]N=N2)CC1[NH+](C)C	REAL250004660584	0	42	0.0	-70.37	339.08	4.96	-65.41
CSC1CN(C(=O)CCCC2=NN=N[N-]2)CC1[NH+](C)C	REAL250004660584	1	42	0.0	-70.35	339.14	4.97	-65.38
CC(C1CC[NH+](C)CC1)N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004660586	0	47	0.0	-69.49	351.05	6.51	-62.98
CC(C1CC[NH+](C)CC1)N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004660586	1	47	0.0	-69.47	351.11	6.53	-62.94
C[N@@H+]1CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004660625	0	39	0.0	-71.25	311.31	-0.23	-71.48
C[N@H+]1CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004660625	1	39	0.0	-70.50	312.03	-0.21	-70.71
C[N@@H+]1CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004660625	1	39	0.0	-71.27	311.37	-0.22	-71.49
C[N@H+]1CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004660625	1	39	0.0	-70.52	312.09	-0.19	-70.71
CCCN(CC[NH+](CC)CC)C(=O)CCCC1=N[N-]N=N1	REAL250004660674	0	49	0.0	-64.22	368.06	6.64	-57.58
CCCN(CC[NH+](CC)CC)C(=O)CCCC1=NN=N[N-]1	REAL250004660674	1	49	0.0	-64.17	368.11	6.66	-57.51
C[NH+](C)CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004660676	0	47	0.0	-66.35	345.27	5.18	-61.17
C[NH+](C)CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004660676	1	47	0.0	-66.41	345.32	5.19	-61.22
C[NH+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004660723	0	41	0.0	-75.58	320.56	4.78	-70.80
C[NH+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004660723	1	41	0.0	-75.63	320.61	4.80	-70.83
CC(CCNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCCCC1	REAL250004660729	0	47	0.0	-65.38	350.02	4.74	-60.64
CC(CCNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCCCC1	REAL250004660729	1	47	0.0	-65.45	350.07	4.76	-60.69
C[NH+](C)C1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004660776	0	44	0.0	-68.50	322.05	5.41	-63.09
C[NH+](C)C1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004660776	1	44	0.0	-68.54	322.11	5.43	-63.11
CC[NH+](CC)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660891	0	39	0.0	-68.14	308.58	2.81	-65.33
CC(C)[N@H+](C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660903	0	39	0.0	-67.29	307.58	2.65	-64.64
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660903	1	39	0.0	-67.32	307.60	2.65	-64.67
CCC[N@H+](C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660929	0	39	0.0	-68.66	312.12	2.89	-65.77
CCC[N@@H+](C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004660929	1	39	0.0	-70.08	312.38	2.87	-67.21
CCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL250004660970	0	39	0.0	-65.48	302.76	2.50	-62.98
C[NH+](C)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004661097	1	37	0.0	-71.56	302.12	2.69	-68.87
C[C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL250004661162	0	36	0.0	-68.04	291.37	1.88	-66.16
CC1=C[NH+]=CN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661171	1	35	0.0	-67.28	301.60	3.78	-63.50
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661175	1	37	0.0	-65.67	299.08	2.52	-63.15
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661175	1	37	0.0	-68.74	292.97	2.03	-66.71
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661176	1	37	0.0	-69.20	293.22	2.02	-67.18
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004661176	1	37	0.0	-65.04	299.61	2.46	-62.58
C[C@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL250004661177	0	36	0.0	-66.20	290.99	1.87	-64.33
CC(C)[NH+]1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661317	1	38	0.0	-67.03	305.30	2.81	-64.22
CC(C)[NH+]1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661317	1	38	0.0	-67.02	305.36	2.82	-64.20
C[C@@H](O)C[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661342	1	42	0.0	-72.77	324.74	1.66	-71.11
C[C@@H](O)C[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661342	1	42	0.0	-72.81	324.80	1.67	-71.14
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CCO	REAL250004661348	0	45	0.0	-68.62	331.97	1.87	-66.75
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CCO	REAL250004661348	1	45	0.0	-68.86	330.51	2.23	-66.63
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CCO	REAL250004661348	1	45	0.0	-68.58	332.03	1.89	-66.69
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CCO	REAL250004661348	1	45	0.0	-68.88	330.57	2.24	-66.64
O=C(CCCC1=N[N-]N=N1)N1CC[NH+]2CCC1CC2	REAL250004661355	0	39	0.0	-78.69	289.66	4.52	-74.17
O=C(CCCC1=NN=N[N-]1)N1CC[NH+]2CCC1CC2	REAL250004661355	1	39	0.0	-78.77	289.72	4.53	-74.24
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+]2CCC1CC2	REAL250004661356	0	39	0.0	-63.31	294.45	5.13	-58.18
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+]2CCC1CC2	REAL250004661356	1	39	0.0	-63.31	294.39	5.12	-58.19
CCN(CCC[NH+](C)C)C(=O)CCCC1=N[N-]N=N1	REAL250004661357	0	43	0.0	-66.45	336.69	5.57	-60.88
CCN(CCC[NH+](C)C)C(=O)CCCC1=NN=N[N-]1	REAL250004661357	1	43	0.0	-66.46	336.75	5.58	-60.88
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004661377	0	41	0.0	-66.56	309.54	3.60	-62.96
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004661377	1	41	0.0	-66.54	309.60	3.61	-62.93
CCN(CCC[NH+](CC)CC)C(=O)CCCC1=N[N-]N=N1	REAL250004661380	0	49	0.0	-64.75	372.39	6.93	-57.82
CCN(CCC[NH+](CC)CC)C(=O)CCCC1=NN=N[N-]1	REAL250004661380	1	49	0.0	-64.77	372.44	6.95	-57.82
CCN(CCC[NH+]1CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004661381	0	47	0.0	-65.06	362.65	6.75	-58.31
CCN(CCC[NH+]1CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004661381	1	47	0.0	-65.10	362.71	6.76	-58.34
CN(CC[N@H+](C)C1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004661397	0	41	0.0	-62.90	324.49	5.29	-57.61
CN(CC[N@@H+](C)C1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004661397	1	41	0.0	-62.62	324.21	5.29	-57.33
CN(CC[N@H+](C)C1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004661397	1	41	0.0	-62.94	324.54	5.31	-57.63
CN(CC[N@@H+](C)C1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004661397	1	41	0.0	-62.64	324.27	5.30	-57.34
CC1CCC[N@@H+]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004661432	0	41	0.0	-67.11	316.29	3.19	-63.92
CC1CCC[N@H+]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004661432	1	41	0.0	-67.13	316.31	3.20	-63.93
CC1CCC[N@@H+]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004661432	1	41	0.0	-67.13	316.35	3.21	-63.92
CC1CCC[N@H+]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004661432	1	41	0.0	-67.15	316.37	3.22	-63.93
CN(CC1([NH+](C)C)CCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004661438	0	44	0.0	-66.63	321.02	5.43	-61.20
CN(CC1([NH+](C)C)CCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004661438	1	44	0.0	-66.63	321.08	5.45	-61.18
O=C(CCCC1=N[N-]N=N1)NCC[N@@H+]1CCCOCC1	REAL250004661446	0	42	0.0	-71.24	323.64	1.97	-69.27
O=C(CCCC1=N[N-]N=N1)NCC[N@H+]1CCCOCC1	REAL250004661446	1	42	0.0	-73.00	320.91	1.78	-71.22
O=C(CCCC1=NN=N[N-]1)NCC[N@@H+]1CCCOCC1	REAL250004661446	1	42	0.0	-71.25	323.69	1.98	-69.27
O=C(CCCC1=NN=N[N-]1)NCC[N@H+]1CCCOCC1	REAL250004661446	1	42	0.0	-73.02	320.96	1.79	-71.23
C[C@H](O)C[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661480	1	42	0.0	-72.73	324.64	1.63	-71.10
C[C@H](O)C[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661480	1	42	0.0	-72.72	324.69	1.64	-71.08
C[NH+](C)CCN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004661488	0	41	0.0	-77.24	317.97	5.34	-71.90
C[NH+](C)CCN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004661488	1	41	0.0	-77.28	318.03	5.36	-71.92
C[NH+](C)CCC(C)(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004661491	0	44	0.0	-71.27	344.06	0.71	-70.56
C[NH+](C)CCC(C)(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004661491	1	44	0.0	-71.30	344.12	0.72	-70.58
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004661530	0	41	0.0	-69.60	317.80	4.35	-65.25
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004661530	1	41	0.0	-69.65	317.85	4.36	-65.29
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004661545	0	41	0.0	-71.73	303.92	4.51	-67.22
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004661545	1	41	0.0	-71.75	303.87	4.49	-67.26
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004661545	1	41	0.0	-71.79	303.97	4.53	-67.26
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004661545	1	41	0.0	-71.79	303.92	4.51	-67.28
CCC1C[N@H+](C)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004661565	0	44	0.0	-68.66	321.77	5.88	-62.78
CCC1C[N@@H+](C)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004661565	1	44	0.0	-66.88	319.92	5.45	-61.43
CCC1C[N@H+](C)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004661565	1	44	0.0	-68.66	321.82	5.90	-62.76
CCC1C[N@@H+](C)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004661565	1	44	0.0	-66.89	319.98	5.46	-61.43
CC1=[NH+]C=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004661586	1	39	0.0	-66.32	325.73	4.07	-62.25
CC1=[NH+]C=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004661586	1	39	0.0	-66.31	325.79	4.09	-62.22
CC1(C)CCC[N@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661657	0	47	0.0	-68.76	353.06	4.73	-64.03
CC1(C)CCC[N@@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004661657	1	47	0.0	-68.75	353.05	4.73	-64.02
CC1(C)CCC[N@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661657	1	47	0.0	-68.74	353.12	4.74	-64.00
CC1(C)CCC[N@@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004661657	1	47	0.0	-68.74	353.11	4.74	-64.00
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=[NH+]C=CN2)CC1	REAL250004661687	1	39	0.0	-67.81	311.38	3.88	-63.93
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=[NH+]C=CN2)CC1	REAL250004661687	1	39	0.0	-67.89	311.44	3.89	-64.00
CC[NH+]1CCN(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661708	0	46	0.0	-69.53	352.86	1.82	-67.71
CC[NH+]1CCN(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661708	1	46	0.0	-69.52	352.92	1.84	-67.68
O=C(CCCC1=N[N-]N=N1)NCC1CC[NH+](C2CC2)CC1	REAL250004661732	0	45	0.0	-70.35	344.97	4.91	-65.44
O=C(CCCC1=NN=N[N-]1)NCC1CC[NH+](C2CC2)CC1	REAL250004661732	1	45	0.0	-70.35	345.03	4.93	-65.42
O=C(CCCC1=N[N-]N=N1)NCC[N@H+]1CC=CCC1	REAL250004661747	0	39	0.0	-70.16	310.81	3.52	-66.64
O=C(CCCC1=N[N-]N=N1)NCC[N@@H+]1CC=CCC1	REAL250004661747	1	39	0.0	-70.13	310.82	3.52	-66.61
O=C(CCCC1=NN=N[N-]1)NCC[N@H+]1CC=CCC1	REAL250004661747	1	39	0.0	-70.17	310.87	3.53	-66.64
O=C(CCCC1=NN=N[N-]1)NCC[N@@H+]1CC=CCC1	REAL250004661747	1	39	0.0	-70.16	310.88	3.53	-66.63
O=C(NCC[N@H+]1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661748	1	39	0.0	-59.41	321.48	3.32	-56.09
O=C(NCC[N@@H+]1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661748	1	39	0.0	-59.39	321.48	3.33	-56.06
CC1=CC[N@H+](CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661784	0	42	0.0	-70.61	331.63	4.16	-66.45
CC1=CC[N@@H+](CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661784	1	42	0.0	-70.69	331.58	4.16	-66.53
CC1=CC[N@H+](CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661784	1	42	0.0	-70.66	331.68	4.17	-66.49
CC1=CC[N@@H+](CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004661784	1	42	0.0	-70.70	331.64	4.17	-66.53
O=C(CCCC1=N[N-]N=N1)NCC[N@H+]1CC=CCC1	REAL250004661785	0	39	0.0	-70.16	310.81	3.52	-66.64
O=C(CCCC1=N[N-]N=N1)NCC[N@@H+]1CC=CCC1	REAL250004661785	1	39	0.0	-70.13	310.82	3.52	-66.61
O=C(CCCC1=NN=N[N-]1)NCC[N@H+]1CC=CCC1	REAL250004661785	1	39	0.0	-70.17	310.87	3.53	-66.64
O=C(CCCC1=NN=N[N-]1)NCC[N@@H+]1CC=CCC1	REAL250004661785	1	39	0.0	-70.16	310.88	3.53	-66.63
O=C(NCC[N@H+]1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661786	1	39	0.0	-59.41	321.48	3.32	-56.09
O=C(NCC[N@@H+]1CC=CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661786	1	39	0.0	-59.39	321.48	3.33	-56.06
CC[NH+](CC)[C@H](C)CNC(=O)CCCC1=N[N-]N=N1	REAL250004661817	0	43	0.0	-65.99	318.59	4.30	-61.69
CC[NH+](CC)[C@H](C)CNC(=O)CCCC1=NN=N[N-]1	REAL250004661817	1	43	0.0	-66.03	318.65	4.32	-61.71
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C[NH+]1CCCC1	REAL250004661844	0	47	0.0	-69.23	346.28	4.95	-64.28
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C[NH+]1CCCC1	REAL250004661844	1	47	0.0	-69.26	346.34	4.97	-64.29
C[N@@H+]1CCCC(C)(C)C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004661850	0	47	0.0	-71.11	337.51	4.84	-66.27
C[N@H+]1CCCC(C)(C)C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004661850	1	47	0.0	-68.59	337.40	5.71	-62.88
C[N@@H+]1CCCC(C)(C)C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004661850	1	47	0.0	-71.12	337.57	4.86	-66.26
C[N@H+]1CCCC(C)(C)C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004661850	1	47	0.0	-68.58	337.46	5.73	-62.85
C[NH+]1CCN(C(=O)NNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004661869	1	41	0.0	-74.19	328.57	1.86	-72.33
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@@H+]1C1CC1	REAL250004661881	0	45	0.0	-64.86	346.78	4.93	-59.93
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@H+]1C1CC1	REAL250004661881	1	45	0.0	-65.70	339.86	4.59	-61.11
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@@H+]1C1CC1	REAL250004661881	1	45	0.0	-64.86	346.83	4.94	-59.92
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@H+]1C1CC1	REAL250004661881	1	45	0.0	-65.68	339.92	4.60	-61.08
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004661883	0	43	0.0	-67.48	330.26	4.15	-63.33
CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004661883	1	43	0.0	-67.60	326.42	4.68	-62.92
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004661883	1	43	0.0	-67.50	330.32	4.16	-63.34
CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004661883	1	43	0.0	-67.61	326.48	4.70	-62.91
CO[C@H]1C[C@@H](CN(C)C(=O)CCCC2=N[N-]N=N2)[N@H+](C)C1	REAL250004661887	0	45	0.0	-65.88	349.39	4.05	-61.83
CO[C@H]1C[C@@H](CN(C)C(=O)CCCC2=N[N-]N=N2)[N@@H+](C)C1	REAL250004661887	1	45	0.0	-72.70	342.65	3.52	-69.18
CO[C@H]1C[C@@H](CN(C)C(=O)CCCC2=NN=N[N-]2)[N@H+](C)C1	REAL250004661887	1	45	0.0	-65.91	349.45	4.06	-61.85
CO[C@H]1C[C@@H](CN(C)C(=O)CCCC2=NN=N[N-]2)[N@@H+](C)C1	REAL250004661887	1	45	0.0	-72.71	342.70	3.53	-69.18
CC1C([NH+]2CCCC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004661891	0	45	0.0	-70.74	340.63	5.70	-65.04
CC1C([NH+]2CCCC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004661891	1	45	0.0	-70.73	340.69	5.71	-65.02
C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004661892	0	37	0.0	-57.32	306.54	2.79	-54.53
C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004661892	1	37	0.0	-57.31	306.60	2.79	-54.52
CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004661899	0	44	0.0	-67.03	337.50	4.45	-62.58
CCC[N@H+]1CCC[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004661899	1	44	0.0	-67.43	336.80	3.91	-63.52
CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004661899	1	44	0.0	-66.99	337.56	4.46	-62.53
CCC[N@H+]1CCC[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004661899	1	44	0.0	-67.43	336.85	3.93	-63.50
CCCN(CC[NH+]1CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004661960	0	47	0.0	-62.69	358.62	6.60	-56.09
CCCN(CC[NH+]1CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004661960	1	47	0.0	-62.70	358.67	6.61	-56.09
CC1CC([NH+]2CCCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004661970	0	45	0.0	-75.07	342.72	5.85	-69.22
CC1CC([NH+]2CCCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004661970	1	45	0.0	-75.10	342.78	5.87	-69.23
CN(CCC[NH+]1CCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004661978	0	44	0.0	-65.22	342.68	5.84	-59.38
CN(CCC[NH+]1CCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004661978	1	44	0.0	-65.26	342.74	5.85	-59.41
C[NH+](C)CC1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004661981	0	41	0.0	-62.60	314.13	3.62	-58.98
C[NH+](C)CC1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004661981	1	41	0.0	-62.61	314.18	3.63	-58.98
O=C(CCCC1=N[N-]N=N1)NC(CO)C[NH+]1CCCCC1	REAL250004661987	0	45	0.0	-66.75	346.68	1.57	-65.18
O=C(CCCC1=NN=N[N-]1)NC(CO)C[NH+]1CCCCC1	REAL250004661987	1	45	0.0	-66.76	346.74	1.58	-65.18
CC[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004662000	0	41	0.0	-71.90	309.89	4.88	-67.02
CC[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL250004662000	1	41	0.0	-71.64	307.89	4.70	-66.94
CC[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004662000	1	41	0.0	-71.93	309.94	4.90	-67.03
CC[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL250004662000	1	41	0.0	-71.64	307.95	4.72	-66.92
CN(C(=O)CCCC1=N[N-]N=N1)C1CC2CCC(C1)[NH+]2C	REAL250004662001	0	45	0.0	-62.07	305.96	4.70	-57.37
CN(C(=O)CCCC1=NN=N[N-]1)C1CC2CCC(C1)[NH+]2C	REAL250004662001	1	45	0.0	-62.14	306.02	4.72	-57.42
CC1=[NH+]C=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662014	1	39	0.0	-66.32	325.73	4.07	-62.25
CC1=[NH+]C=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662014	1	39	0.0	-66.31	325.79	4.09	-62.22
C[NH+](C)C1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662025	0	38	0.0	-71.89	305.04	3.09	-68.80
C[NH+](C)C1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662025	1	38	0.0	-71.91	305.10	3.10	-68.81
C[NH+]1CCC(ONC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662030	0	39	0.0	-76.00	313.95	4.07	-71.93
C[NH+]1CCC(ONC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662030	1	39	0.0	-76.05	314.01	4.08	-71.97
CCC1C[N@H+](CC)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662048	0	44	0.0	-73.19	329.82	5.90	-67.29
CCC1C[N@@H+](CC)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662048	1	44	0.0	-73.13	329.97	5.86	-67.27
CCC1C[N@H+](CC)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662048	1	44	0.0	-73.22	329.87	5.91	-67.31
CCC1C[N@@H+](CC)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662048	1	44	0.0	-73.14	330.02	5.87	-67.27
C[NH+](C)CCCC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662072	0	46	0.0	-73.69	346.67	4.36	-69.33
C[NH+](C)CCCC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662072	1	46	0.0	-73.74	346.73	4.37	-69.37
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]21	REAL250004662074	0	39	0.0	-75.12	311.90	4.75	-70.37
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]21	REAL250004662074	1	39	0.0	-75.14	311.95	4.76	-70.38
CCC(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662077	0	44	0.0	-70.25	328.33	5.27	-64.98
CCC(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662077	1	44	0.0	-70.28	328.38	5.28	-65.00
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)[N@H+]1CCO	REAL250004662097	0	45	0.0	-68.86	329.34	1.90	-66.96
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)[N@@H+]1CCO	REAL250004662097	1	45	0.0	-69.18	330.69	1.42	-67.76
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)[N@H+]1CCO	REAL250004662097	1	45	0.0	-68.87	329.40	1.92	-66.95
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)[N@@H+]1CCO	REAL250004662097	1	45	0.0	-69.18	330.74	1.43	-67.75
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CCC(O)CC1	REAL250004662100	0	42	0.0	-73.63	329.85	0.28	-73.35
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CCC(O)CC1	REAL250004662100	1	42	0.0	-73.64	329.90	0.29	-73.35
C[C@@H](CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+](C)C	REAL250004662104	0	37	0.0	-56.20	297.91	2.16	-54.04
C[C@@H](CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+](C)C	REAL250004662104	1	37	0.0	-56.18	297.98	2.16	-54.02
C[NH+]1C2CCC1CC(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004662113	0	42	0.0	-72.35	306.14	5.00	-67.35
C[NH+]1C2CCC1CC(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004662113	1	42	0.0	-72.43	306.20	5.02	-67.41
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](C)CC1	REAL250004662130	0	44	0.0	-61.42	331.28	5.76	-55.66
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](C)CC1	REAL250004662130	1	44	0.0	-61.39	331.33	5.78	-55.61
C[NH2+]C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004662136	0	38	0.0	-73.45	300.15	1.42	-72.03
C[NH2+]C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004662136	1	38	0.0	-73.47	300.20	1.43	-72.04
C[NH2+]C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004662137	0	38	0.0	-58.53	309.39	1.20	-57.33
C[NH2+]C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004662137	1	38	0.0	-58.54	309.46	1.20	-57.34
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@@H+](CCCO)C1	REAL250004662143	0	45	0.0	-75.62	346.78	1.58	-74.04
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@H+](CCCO)C1	REAL250004662143	1	45	0.0	-73.99	350.82	1.04	-72.95
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@@H+](CCCO)C1	REAL250004662143	1	45	0.0	-75.66	346.84	1.60	-74.06
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@H+](CCCO)C1	REAL250004662143	1	45	0.0	-74.01	350.87	1.05	-72.96
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+]2CCC1C2	REAL250004662145	0	36	0.0	-73.88	274.88	3.48	-70.40
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+]2CCC1C2	REAL250004662145	1	36	0.0	-73.83	274.81	3.49	-70.34
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+]2CCC1C2	REAL250004662145	1	36	0.0	-73.90	274.93	3.50	-70.40
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+]2CCC1C2	REAL250004662145	1	36	0.0	-73.85	274.86	3.50	-70.35
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@@H+]2CCC1C2	REAL250004662146	1	36	0.0	-58.87	281.71	3.74	-55.13
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@H+]2CCC1C2	REAL250004662146	1	36	0.0	-58.86	281.72	3.72	-55.14
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@@H+]2CCC1C2	REAL250004662146	1	36	0.0	-58.82	281.78	3.74	-55.08
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@H+]2CCC1C2	REAL250004662146	1	36	0.0	-58.78	281.78	3.73	-55.05
C[N@@H+]1CCC2(C1)CCCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004662147	0	45	0.0	-67.39	334.87	5.55	-61.84
C[N@H+]1CCC2(C1)CCCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004662147	1	45	0.0	-67.27	336.22	5.81	-61.46
C[N@@H+]1CCC2(C1)CCCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004662147	1	45	0.0	-67.38	334.92	5.57	-61.81
C[N@H+]1CCC2(C1)CCCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004662147	1	45	0.0	-67.25	336.28	5.82	-61.43
C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004662181	0	39	0.0	-70.99	297.61	3.96	-67.03
C[N@H+]1CC[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004662181	1	39	0.0	-70.97	302.24	4.30	-66.67
C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004662181	1	39	0.0	-71.00	297.66	3.97	-67.03
C[N@H+]1CC[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004662181	1	39	0.0	-70.98	302.30	4.31	-66.67
C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL250004662182	0	39	0.0	-62.34	305.28	4.10	-58.24
C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL250004662182	1	39	0.0	-61.04	310.33	4.53	-56.51
C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL250004662182	1	39	0.0	-62.32	305.21	4.09	-58.23
C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL250004662182	1	39	0.0	-61.08	310.26	4.51	-56.57
C[NH+](C)CC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004662233	0	41	0.0	-74.29	321.53	6.00	-68.29
C[NH+](C)CC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004662233	1	41	0.0	-74.35	321.59	6.02	-68.33
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+]1CCCO	REAL250004662234	0	45	0.0	-69.14	348.22	0.58	-68.56
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@@H+]1CCCO	REAL250004662234	1	45	0.0	-69.17	348.23	0.56	-68.61
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+]1CCCO	REAL250004662234	1	45	0.0	-69.15	348.28	0.60	-68.55
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@@H+]1CCCO	REAL250004662234	1	45	0.0	-69.20	348.29	0.58	-68.62
CC1C([NH+](C)C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662277	0	41	0.0	-72.96	313.42	4.52	-68.44
CC1C([NH+](C)C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662277	1	41	0.0	-72.97	313.47	4.53	-68.44
C[N@@H+]1CCCC2(CCN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004662325	0	45	0.0	-64.04	337.84	5.62	-58.42
C[N@H+]1CCCC2(CCN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004662325	1	45	0.0	-70.50	337.57	5.55	-64.95
C[N@@H+]1CCCC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004662325	1	45	0.0	-64.05	337.90	5.63	-58.42
C[N@H+]1CCCC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004662325	1	45	0.0	-70.52	337.63	5.56	-64.96
C[N@@H+]1CCC2(CCN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004662370	0	42	0.0	-72.97	323.27	4.81	-68.16
C[N@H+]1CCC2(CCN(C(=O)CCCC3=N[N-]N=N3)C2)C1	REAL250004662370	1	42	0.0	-75.04	325.14	4.83	-70.21
C[N@@H+]1CCC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004662370	1	42	0.0	-72.96	323.33	4.82	-68.14
C[N@H+]1CCC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)C1	REAL250004662370	1	42	0.0	-74.99	325.20	4.84	-70.15
O=C(CCCC1=N[N-]N=N1)NCCCCC[NH+]1CCCC1	REAL250004662375	0	47	0.0	-70.76	367.58	5.27	-65.49
O=C(CCCC1=NN=N[N-]1)NCCCCC[NH+]1CCCC1	REAL250004662375	1	47	0.0	-70.81	367.64	5.29	-65.52
CC(CNC(=O)CCCC1=N[N-]N=N1)C[NH+](C)C	REAL250004662384	0	40	0.0	-67.79	314.09	3.28	-64.51
CC(CNC(=O)CCCC1=NN=N[N-]1)C[NH+](C)C	REAL250004662384	1	40	0.0	-67.84	314.15	3.30	-64.54
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C[NH+](C)C	REAL250004662385	0	40	0.0	-59.49	324.67	3.08	-56.41
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C[NH+](C)C	REAL250004662385	1	40	0.0	-59.48	324.74	3.09	-56.39
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+](C2CC2)C1	REAL250004662397	0	45	0.0	-70.45	337.63	6.21	-64.24
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+](C2CC2)C1	REAL250004662397	1	45	0.0	-70.92	336.91	6.38	-64.54
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+](C2CC2)C1	REAL250004662397	1	45	0.0	-70.48	337.69	6.23	-64.25
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+](C2CC2)C1	REAL250004662397	1	45	0.0	-70.92	336.96	6.40	-64.52
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)[N@H+]1C	REAL250004662418	0	41	0.0	-68.83	309.24	4.41	-64.42
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H](C)[N@@H+]1C	REAL250004662418	1	41	0.0	-69.12	302.87	4.00	-65.12
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)[N@H+]1C	REAL250004662418	1	41	0.0	-68.81	309.29	4.42	-64.39
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H](C)[N@@H+]1C	REAL250004662418	1	41	0.0	-69.18	302.93	4.02	-65.16
CCC[N@H+](CC)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662429	0	46	0.0	-67.64	342.84	5.40	-62.24
CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662429	1	46	0.0	-68.82	348.39	4.77	-64.05
CCC[N@H+](CC)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662429	1	46	0.0	-67.65	342.90	5.42	-62.23
CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662429	1	46	0.0	-68.88	348.45	4.79	-64.09
CCCC[N@H+](C)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662451	0	46	0.0	-71.47	356.66	5.16	-66.31
CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662451	1	46	0.0	-70.86	356.56	5.15	-65.71
CCCC[N@H+](C)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662451	1	46	0.0	-71.50	356.72	5.18	-66.32
CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662451	1	46	0.0	-70.85	356.62	5.16	-65.69
O=C(CCCC1=N[N-]N=N1)NC(CO)C[NH+]1CCCC1	REAL250004662454	0	42	0.0	-66.74	329.06	0.41	-66.33
O=C(CCCC1=NN=N[N-]1)NC(CO)C[NH+]1CCCC1	REAL250004662454	1	42	0.0	-66.76	329.12	0.43	-66.33
CCCC[N@H+](C)C[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662471	0	46	0.0	-70.85	356.57	5.14	-65.71
CCCC[N@@H+](C)C[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662471	1	46	0.0	-71.61	356.56	5.16	-66.45
CCCC[N@H+](C)C[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662471	1	46	0.0	-70.89	356.62	5.15	-65.74
CCCC[N@@H+](C)C[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662471	1	46	0.0	-71.65	356.62	5.18	-66.47
CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662482	0	43	0.0	-68.04	326.38	4.69	-63.35
CC(C)[N@H+](C)C[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662482	1	43	0.0	-67.49	330.26	4.15	-63.34
CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662482	1	43	0.0	-68.09	326.44	4.71	-63.38
CC(C)[N@H+](C)C[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662482	1	43	0.0	-67.53	330.32	4.16	-63.37
CCC[N@H+](CC)C[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662517	0	46	0.0	-68.79	348.65	4.79	-64.00
CCC[N@@H+](CC)C[C@H](C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662517	1	46	0.0	-68.79	352.72	5.05	-63.74
CCC[N@H+](CC)C[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662517	1	46	0.0	-68.84	348.71	4.80	-64.04
CCC[N@@H+](CC)C[C@H](C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662517	1	46	0.0	-68.83	352.78	5.07	-63.76
CN(C)CC[N@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662521	0	48	0.0	-72.98	371.80	1.98	-71.00
CN(C)CC[N@@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004662521	1	48	0.0	-73.00	371.80	1.98	-71.02
CN(C)CC[N@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662521	1	48	0.0	-73.03	371.86	2.00	-71.03
CN(C)CC[N@@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004662521	1	48	0.0	-73.07	371.86	2.00	-71.07
CN(CCCNC(=O)CCCC1=N[N-]N=N1)CC[NH+](C)C	REAL250004662521	1	48	0.0	-71.34	372.04	2.14	-69.20
CN(CCCNC(=O)CCCC1=NN=N[N-]1)CC[NH+](C)C	REAL250004662521	1	48	0.0	-71.36	372.10	2.16	-69.20
CCCC[N@H+](C)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662528	0	46	0.0	-71.45	356.66	5.16	-66.29
CCCC[N@@H+](C)CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662528	1	46	0.0	-71.62	356.57	5.16	-66.46
CCCC[N@H+](C)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662528	1	46	0.0	-71.52	356.72	5.18	-66.34
CCCC[N@@H+](C)CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662528	1	46	0.0	-71.62	356.62	5.18	-66.44
C[N@H+](CCCCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004662559	0	44	0.0	-69.46	349.39	4.72	-64.74
C[N@@H+](CCCCNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004662559	1	44	0.0	-69.44	349.39	4.71	-64.73
C[N@H+](CCCCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004662559	1	44	0.0	-69.45	349.44	4.74	-64.71
C[N@@H+](CCCCNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004662559	1	44	0.0	-69.47	349.44	4.73	-64.74
CC(C)(C[NH+]1CCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004662588	0	44	0.0	-70.55	326.48	4.96	-65.59
CC(C)(C[NH+]1CCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004662588	1	44	0.0	-70.60	326.53	4.97	-65.63
CC1(C)CCC[N@@H+]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004662592	0	44	0.0	-65.51	335.82	3.71	-61.80
CC1(C)CCC[N@H+]1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004662592	1	44	0.0	-65.51	335.85	3.72	-61.79
CC1(C)CCC[N@@H+]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004662592	1	44	0.0	-65.53	335.88	3.72	-61.81
CC1(C)CCC[N@H+]1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004662592	1	44	0.0	-65.50	335.91	3.73	-61.77
C[N@@H+]1CCCC(CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662594	0	44	0.0	-73.21	332.73	3.80	-69.41
C[N@H+]1CCCC(CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662594	1	44	0.0	-73.24	332.72	3.79	-69.45
C[N@@H+]1CCCC(CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662594	1	44	0.0	-73.25	332.79	3.82	-69.43
C[N@H+]1CCCC(CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662594	1	44	0.0	-73.27	332.78	3.81	-69.46
C[NH+](C)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004662622	0	40	0.0	-72.63	301.45	4.01	-68.62
C[NH+](C)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004662622	1	40	0.0	-72.63	301.51	4.03	-68.60
C[NH+](C)CC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662623	0	40	0.0	-59.10	312.03	3.80	-55.30
C[NH+](C)CC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662623	1	40	0.0	-59.07	312.10	3.81	-55.26
CC(C)[N@@H+]1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662669	0	44	0.0	-68.03	333.30	5.25	-62.78
CC(C)[N@H+]1CCC(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004662669	1	44	0.0	-68.00	332.97	5.26	-62.74
CC(C)[N@@H+]1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662669	1	44	0.0	-68.01	333.36	5.26	-62.75
CC(C)[N@H+]1CCC(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004662669	1	44	0.0	-68.05	333.03	5.28	-62.77
C[NH+](C)C1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662782	0	44	0.0	-74.19	330.23	4.56	-69.63
C[NH+](C)C1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662782	1	44	0.0	-74.19	330.29	4.58	-69.61
COCC[N@@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662796	0	45	0.0	-71.40	346.47	3.35	-68.05
COCC[N@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662796	1	45	0.0	-71.65	346.48	3.33	-68.32
COCC[N@@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662796	1	45	0.0	-71.44	346.53	3.37	-68.07
COCC[N@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662796	1	45	0.0	-71.68	346.54	3.35	-68.33
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662804	0	38	0.0	-68.86	303.37	3.27	-65.59
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662804	1	38	0.0	-68.86	303.43	3.28	-65.58
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004662805	0	38	0.0	-56.18	314.19	3.12	-53.06
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004662805	1	38	0.0	-56.19	314.25	3.12	-53.07
CN(CC1CCC[N@@H+]1C)C(=O)CCCC1=N[N-]N=N1	REAL250004662820	0	41	0.0	-54.59	309.35	5.70	-48.89
CN(CC1CCC[N@H+]1C)C(=O)CCCC1=N[N-]N=N1	REAL250004662820	1	41	0.0	-64.86	315.65	5.18	-59.68
CN(CC1CCC[N@@H+]1C)C(=O)CCCC1=NN=N[N-]1	REAL250004662820	1	41	0.0	-54.60	309.40	5.72	-48.88
CN(CC1CCC[N@H+]1C)C(=O)CCCC1=NN=N[N-]1	REAL250004662820	1	41	0.0	-64.94	315.71	5.19	-59.75
C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC3=N[N-]N=N3)[C@@H]2C1	REAL250004662840	0	42	0.0	-68.01	313.71	4.90	-63.11
C[N@H+]1C[C@@H]2CCCN(C(=O)CCCC3=N[N-]N=N3)[C@@H]2C1	REAL250004662840	1	42	0.0	-64.20	310.53	4.67	-59.53
C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC3=NN=N[N-]3)[C@@H]2C1	REAL250004662840	1	42	0.0	-68.06	313.77	4.92	-63.14
C[N@H+]1C[C@@H]2CCCN(C(=O)CCCC3=NN=N[N-]3)[C@@H]2C1	REAL250004662840	1	42	0.0	-64.21	310.59	4.68	-59.53
O=C(CCCC1=NN=N[N-]1)NC1CC([NH+]2CCOCC2)C1	REAL250004662860	1	43	0.0	-72.56	337.94	2.60	-69.96
CC1C[N@@H+](C2CC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662862	0	42	0.0	-69.86	321.49	5.66	-64.20
CC1C[N@H+](C2CC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004662862	1	42	0.0	-70.11	321.48	5.63	-64.48
CC1C[N@@H+](C2CC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662862	1	42	0.0	-69.88	321.54	5.67	-64.21
CC1C[N@H+](C2CC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004662862	1	42	0.0	-70.11	321.54	5.65	-64.46
CN(CC[NH+]1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004662864	0	44	0.0	-63.63	336.13	5.70	-57.93
CN(CC[NH+]1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004662864	1	44	0.0	-63.66	336.19	5.72	-57.94
C[NH+](C)C1CC(NC(=O)CCCC2=N[N-]N=N2)C1(C)C	REAL250004662868	0	44	0.0	-71.11	334.44	4.53	-66.58
C[NH+](C)C1CC(NC(=O)CCCC2=NN=N[N-]2)C1(C)C	REAL250004662868	1	44	0.0	-71.13	334.51	4.55	-66.58
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL250004662870	0	42	0.0	-69.78	330.37	4.24	-65.54
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL250004662870	1	42	0.0	-69.78	330.43	4.26	-65.52
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CCCF)CC1	REAL250004662871	1	41	0.0	-77.76	321.00	4.96	-72.80
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CCCF)CC1	REAL250004662871	1	41	0.0	-77.77	321.06	4.97	-72.80
CCCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](C)C1	REAL250004662883	0	44	0.0	-70.86	327.60	5.63	-65.23
CCCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](C)C1	REAL250004662883	1	44	0.0	-59.32	333.63	5.67	-53.65
CCCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](C)C1	REAL250004662883	1	44	0.0	-70.84	327.66	5.64	-65.20
CCCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](C)C1	REAL250004662883	1	44	0.0	-59.34	333.67	5.69	-53.65
O=C(CCCC1=N[N-]N=N1)NC1C2CC3CC1C[NH+](C3)C2	REAL250004662933	0	43	0.0	-70.97	316.41	4.38	-66.59
O=C(CCCC1=NN=N[N-]1)NC1C2CC3CC1C[NH+](C3)C2	REAL250004662933	1	43	0.0	-70.93	316.47	4.40	-66.53
C[N@@H+]1CC2CCC1C(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004662937	0	42	0.0	-69.10	313.89	3.78	-65.32
C[N@H+]1CC2CCC1C(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004662937	1	42	0.0	-72.44	314.04	3.96	-68.48
C[N@@H+]1CC2CCC1C(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004662937	1	42	0.0	-69.10	313.94	3.79	-65.31
C[N@H+]1CC2CCC1C(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004662937	1	42	0.0	-72.46	314.10	3.98	-68.48
O=C(CCCC1=N[N-]N=N1)NCC12CCC[NH+]1CCC2	REAL250004662954	0	42	0.0	-65.78	320.68	4.00	-61.78
O=C(CCCC1=NN=N[N-]1)NCC12CCC[NH+]1CCC2	REAL250004662954	1	42	0.0	-65.80	320.74	4.02	-61.78
C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004662977	0	41	0.0	-70.53	326.37	3.73	-66.80
C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004662977	1	41	0.0	-70.54	326.42	3.74	-66.80
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@@H+]2CCCCC12	REAL250004662995	0	45	0.0	-68.77	340.03	4.97	-63.80
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@H+]2CCCCC12	REAL250004662995	1	45	0.0	-68.75	340.05	4.98	-63.77
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@@H+]2CCCCC12	REAL250004662995	1	45	0.0	-68.77	340.03	4.97	-63.80
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@H+]2CCCCC12	REAL250004662995	1	45	0.0	-68.75	340.05	4.98	-63.77
CCC(C)(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004662998	0	47	0.0	-68.97	336.92	5.29	-63.68
CCC(C)(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004662998	1	47	0.0	-68.95	336.98	5.30	-63.65
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL250004663005	0	40	0.0	-72.56	310.12	1.12	-71.44
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	REAL250004663005	1	40	0.0	-73.83	307.10	0.71	-73.12
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL250004663005	1	40	0.0	-72.56	310.12	1.12	-71.44
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	REAL250004663005	1	40	0.0	-73.83	307.10	0.71	-73.12
CN(CC[NH+]1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004663012	0	44	0.0	-63.63	336.13	5.70	-57.93
CN(CC[NH+]1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL250004663012	1	44	0.0	-63.66	336.19	5.72	-57.94
C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]2C1	REAL250004663044	0	42	0.0	-72.50	318.67	5.13	-67.37
C[N@H+]1CC[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]2C1	REAL250004663044	1	42	0.0	-71.05	317.41	5.32	-65.73
C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]2C1	REAL250004663044	1	42	0.0	-72.50	318.67	5.13	-67.37
C[N@H+]1CC[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]2C1	REAL250004663044	1	42	0.0	-71.05	317.41	5.32	-65.73
CC(C)C(C[NH+](C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663048	0	43	0.0	-71.74	326.66	4.06	-67.68
CC(C)C(C[NH+](C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663048	1	43	0.0	-71.76	326.72	4.08	-67.68
CC[N@H+]1[C@H](C)CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL250004663070	0	44	0.0	-67.97	323.39	4.76	-63.21
CC[N@@H+]1[C@H](C)CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL250004663070	1	44	0.0	-71.76	319.04	4.56	-67.20
CC[N@H+]1[C@H](C)CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C	REAL250004663070	1	44	0.0	-67.97	323.39	4.76	-63.21
CC[N@@H+]1[C@H](C)CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C	REAL250004663070	1	44	0.0	-71.76	319.04	4.56	-67.20
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C(C)(C)C	REAL250004663071	0	47	0.0	-72.24	329.68	5.02	-67.22
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C(C)(C)C	REAL250004663071	1	47	0.0	-72.24	329.61	5.04	-67.20
CC(C)C[N@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004663113	0	46	0.0	-71.49	355.34	4.67	-66.82
CC(C)C[N@@H+](C)CCCNC(=O)CCCC1=N[N-]N=N1	REAL250004663113	1	46	0.0	-71.49	355.34	4.68	-66.81
CC(C)C[N@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004663113	1	46	0.0	-71.49	355.34	4.67	-66.82
CC(C)C[N@@H+](C)CCCNC(=O)CCCC1=NN=N[N-]1	REAL250004663113	1	46	0.0	-71.49	355.34	4.68	-66.81
O=C(CCCC1=N[N-]N=N1)N1CC(N2CC[C@@H](O)C2)C1	REAL250004663132	0	40	0.0	-76.40	321.38	1.07	-75.33
O=C(CCCC1=NN=N[N-]1)N1CC(N2CC[C@@H](O)C2)C1	REAL250004663132	1	40	0.0	-75.47	322.37	1.19	-74.28
O=C(CCCC1=NN=N[N-]1)N1CC([N@@H+]2CC[C@@H](O)C2)C1	REAL250004663132	1	40	0.0	-76.40	321.38	1.07	-75.33
O=C(CCCC1=NN=N[N-]1)N1CC([N@H+]2CC[C@@H](O)C2)C1	REAL250004663132	1	40	0.0	-75.47	322.37	1.19	-74.28
CN(CC1C[NH+](C)C1)C(=O)CCCC1=N[N-]N=N1	REAL250004663183	0	38	0.0	-61.77	302.81	4.10	-57.67
CN(CC1C[NH+](C)C1)C(=O)CCCC1=NN=N[N-]1	REAL250004663183	1	38	0.0	-61.80	302.86	4.12	-57.68
O=C(CCCC1=N[N-]N=N1)N1CC([NH+]2CCCC2)C1	REAL250004663245	0	39	0.0	-73.61	311.44	4.42	-69.19
O=C(CCCC1=NN=N[N-]1)N1CC([NH+]2CCCC2)C1	REAL250004663245	1	39	0.0	-73.61	311.50	4.44	-69.17
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC([NH+]2CCCC2)C1	REAL250004663246	1	39	0.0	-60.03	319.49	4.36	-55.67
CC(CCNC(=O)CCCC1=N[N-]N=N1)[NH+](C)C	REAL250004663257	0	40	0.0	-71.45	312.24	2.92	-68.53
CC(CCNC(=O)CCCC1=NN=N[N-]1)[NH+](C)C	REAL250004663257	1	40	0.0	-71.45	312.30	2.93	-68.52
CC(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+](C)C	REAL250004663258	0	40	0.0	-59.77	322.83	2.72	-57.05
CC(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+](C)C	REAL250004663258	1	40	0.0	-59.71	322.90	2.72	-56.99
CN(CCC[NH+](C)C)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004663259	0	48	0.0	-72.72	372.04	2.15	-70.57
CN(CCC[NH+](C)C)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004663259	1	48	0.0	-72.72	372.10	2.16	-70.56
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](CC)C1	REAL250004663262	0	44	0.0	-59.97	331.48	5.62	-54.35
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](CC)C1	REAL250004663262	1	44	0.0	-55.04	331.60	5.85	-49.19
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](CC)C1	REAL250004663262	1	44	0.0	-59.97	331.48	5.62	-54.35
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](CC)C1	REAL250004663262	1	44	0.0	-55.04	331.60	5.85	-49.19
CC(C)(C)[N@@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663295	0	44	0.0	-67.23	331.44	3.77	-63.46
CC(C)(C)[N@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663295	1	44	0.0	-66.21	331.52	3.79	-62.42
CC(C)(C)[N@@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663295	1	44	0.0	-67.23	331.44	3.77	-63.46
CC(C)(C)[N@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663295	1	44	0.0	-66.21	331.52	3.79	-62.42
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](C)C1	REAL250004663297	0	41	0.0	-61.37	312.71	4.95	-56.42
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](C)C1	REAL250004663297	1	41	0.0	-60.95	312.84	4.95	-56.00
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](C)C1	REAL250004663297	1	41	0.0	-61.37	312.71	4.95	-56.42
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](C)C1	REAL250004663297	1	41	0.0	-60.95	312.84	4.95	-56.00
CC(C)(C)[N@@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663308	0	47	0.0	-68.19	352.91	4.32	-63.87
CC(C)(C)[N@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663308	1	47	0.0	-67.77	352.75	4.32	-63.45
CC(C)(C)[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663308	1	47	0.0	-68.19	352.91	4.32	-63.87
CC(C)(C)[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663308	1	47	0.0	-67.77	352.75	4.32	-63.45
CC(C)(C)[N@@H+]1CCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663309	0	44	0.0	-66.45	324.60	3.05	-63.40
CC(C)(C)[N@H+]1CCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663309	1	44	0.0	-65.72	329.57	4.47	-61.25
CC(C)(C)[N@@H+]1CCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663309	1	44	0.0	-66.45	324.60	3.05	-63.40
CC(C)(C)[N@H+]1CCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663309	1	44	0.0	-65.72	329.57	4.47	-61.25
C[NH+](C)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663333	0	40	0.0	-72.63	301.45	4.01	-68.62
C[NH+](C)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663333	1	40	0.0	-72.63	301.51	4.03	-68.60
C[NH+](C)CC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663334	0	40	0.0	-59.10	312.03	3.80	-55.30
C[NH+](C)CC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663334	1	40	0.0	-59.07	312.10	3.81	-55.26
C[NH+](C)C1CC(NC(=O)CCCC2=N[N-]N=N2)C12CCC2	REAL250004663342	0	45	0.0	-71.51	342.19	4.88	-66.63
C[NH+](C)C1CC(NC(=O)CCCC2=NN=N[N-]2)C12CCC2	REAL250004663342	1	45	0.0	-71.55	342.25	4.89	-66.66
CC(C[NH+]1CCC(C)CC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004663356	0	47	0.0	-70.24	358.37	5.47	-64.77
CC(C[NH+]1CCC(C)CC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004663356	1	47	0.0	-70.27	358.43	5.49	-64.78
C[N@@H+]1CCCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663390	0	44	0.0	-71.03	330.24	4.35	-66.68
C[N@H+]1CCCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663390	1	44	0.0	-70.31	330.57	4.47	-65.84
C[N@@H+]1CCCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663390	1	44	0.0	-71.03	330.24	4.35	-66.68
C[N@H+]1CCCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663390	1	44	0.0	-70.31	330.57	4.47	-65.84
C[N@@H+]1CCC[C@@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663436	0	38	0.0	-67.80	295.94	2.50	-65.30
C[N@H+]1CCC[C@@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663436	1	38	0.0	-68.76	297.74	3.06	-65.70
C[N@@H+]1CCC[C@@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663436	1	38	0.0	-67.80	295.94	2.50	-65.30
C[N@H+]1CCC[C@@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663436	1	38	0.0	-68.76	297.74	3.06	-65.70
C[N@@H+]1CCC[C@@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663437	0	38	0.0	-58.73	306.73	2.29	-56.44
C[N@H+]1CCC[C@@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663437	1	38	0.0	-55.01	308.28	2.83	-52.18
C[N@@H+]1CCC[C@@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663437	1	38	0.0	-58.73	306.73	2.29	-56.44
C[N@H+]1CCC[C@@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663437	1	38	0.0	-55.01	308.28	2.83	-52.18
C[N@@H+]1CCCC1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004663455	0	41	0.0	-65.47	322.20	3.69	-61.78
C[N@H+]1CCCC1CCNC(=O)CCCC1=N[N-]N=N1	REAL250004663455	1	41	0.0	-71.63	316.88	3.21	-68.42
C[N@@H+]1CCCC1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004663455	1	41	0.0	-65.47	322.20	3.69	-61.78
C[N@H+]1CCCC1CCNC(=O)CCCC1=NN=N[N-]1	REAL250004663455	1	41	0.0	-71.63	316.88	3.21	-68.42
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CC[NH2+]1	REAL250004663498	0	41	0.0	-76.60	311.67	3.21	-73.39
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CC[NH2+]1	REAL250004663498	1	41	0.0	-76.65	311.73	3.22	-73.43
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+]1C1CC1	REAL250004663499	0	39	0.0	-67.83	311.90	3.75	-64.08
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+]1C1CC1	REAL250004663499	1	39	0.0	-67.83	315.45	3.33	-64.50
O=C(NCC1CCN1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663500	0	39	0.0	-56.74	320.68	3.58	-53.16
O=C(NCC1CCN1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663500	1	39	0.0	-56.55	317.95	2.78	-53.77
O=C(NCC1CC[N@@H+]1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663500	1	39	0.0	-56.74	320.68	3.58	-53.16
O=C(NCC1CC[N@H+]1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663500	1	39	0.0	-56.55	317.95	2.78	-53.77
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=CC=[NH+]1	REAL250004663511	0	34	0.0	-65.41	289.61	2.26	-63.15
CC1=CC(NNC(=O)CCCC2=NN=N[N-]2)=CC=[NH+]1	REAL250004663511	1	34	0.0	-65.43	289.67	2.27	-63.16
CC1=CC(NNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=[NH+]1	REAL250004663512	0	34	0.0	-52.71	300.20	2.05	-50.66
CC1=CC(NNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=[NH+]1	REAL250004663512	1	34	0.0	-52.73	300.27	2.05	-50.68
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](C)C1	REAL250004663541	0	38	0.0	-71.36	295.45	4.04	-67.32
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](C)C1	REAL250004663541	1	38	0.0	-71.16	295.60	4.04	-67.12
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](C)C1	REAL250004663541	1	38	0.0	-71.36	295.45	4.04	-67.32
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](C)C1	REAL250004663541	1	38	0.0	-71.16	295.60	4.04	-67.12
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@H+](C)C1	REAL250004663542	0	38	0.0	-60.58	303.21	4.46	-56.12
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@@H+](C)C1	REAL250004663542	1	38	0.0	-60.57	303.67	4.40	-56.17
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@H+](C)C1	REAL250004663542	1	38	0.0	-60.58	303.21	4.46	-56.12
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@@H+](C)C1	REAL250004663542	1	38	0.0	-60.57	303.67	4.40	-56.17
CCC[N@H+](C)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663552	0	46	0.0	-72.23	340.60	5.36	-66.87
CCC[N@@H+](C)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004663552	1	46	0.0	-72.07	340.62	5.45	-66.62
CCC[N@H+](C)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663552	1	46	0.0	-72.23	340.60	5.36	-66.87
CCC[N@@H+](C)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004663552	1	46	0.0	-72.07	340.62	5.45	-66.62
CCC[N@@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663580	0	41	0.0	-69.89	323.75	3.79	-66.10
CCC[N@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663580	1	41	0.0	-69.91	322.29	3.67	-66.24
CCC[N@@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663580	1	41	0.0	-69.89	323.75	3.79	-66.10
CCC[N@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663580	1	41	0.0	-69.91	322.29	3.67	-66.24
O=C(CCCC1=N[N-]N=N1)NCC[N@H+]1CC[C@H](O)C1	REAL250004663693	0	39	0.0	-70.68	313.68	-0.40	-71.08
O=C(CCCC1=N[N-]N=N1)NCC[N@@H+]1CC[C@H](O)C1	REAL250004663693	1	39	0.0	-70.35	314.09	-0.42	-70.77
O=C(CCCC1=NN=N[N-]1)NCC[N@H+]1CC[C@H](O)C1	REAL250004663693	1	39	0.0	-70.68	313.68	-0.40	-71.08
O=C(CCCC1=NN=N[N-]1)NCC[N@@H+]1CC[C@H](O)C1	REAL250004663693	1	39	0.0	-70.35	314.09	-0.42	-70.77
CCC1([NH+](C)C)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663717	0	47	0.0	-72.20	323.72	5.13	-67.07
CCC1([NH+](C)C)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663717	1	47	0.0	-72.24	323.78	5.15	-67.09
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+]1C1CCCC1	REAL250004663736	0	45	0.0	-71.39	333.23	5.27	-66.12
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+]1C1CCCC1	REAL250004663736	1	45	0.0	-69.75	341.20	4.24	-65.51
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+]1C1CCCC1	REAL250004663736	1	45	0.0	-71.39	333.23	5.27	-66.12
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+]1C1CCCC1	REAL250004663736	1	45	0.0	-69.75	341.20	4.24	-65.51
O=C(CCCC1=N[N-]N=N1)NCC[N@H+]1CC[C@@H](O)C1	REAL250004663743	0	39	0.0	-70.58	312.95	-0.49	-71.07
O=C(CCCC1=N[N-]N=N1)NCC[N@@H+]1CC[C@@H](O)C1	REAL250004663743	1	39	0.0	-70.17	313.90	-0.42	-70.59
O=C(CCCC1=NN=N[N-]1)NCC[N@H+]1CC[C@@H](O)C1	REAL250004663743	1	39	0.0	-70.58	312.95	-0.49	-71.07
O=C(CCCC1=NN=N[N-]1)NCC[N@@H+]1CC[C@@H](O)C1	REAL250004663743	1	39	0.0	-70.17	313.90	-0.42	-70.59
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663753	0	45	0.0	-71.11	347.34	1.47	-69.64
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004663753	1	45	0.0	-71.03	345.80	1.52	-69.51
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663753	1	45	0.0	-71.11	347.34	1.47	-69.64
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004663753	1	45	0.0	-71.03	345.80	1.52	-69.51
C[N@@H+]1CCC2CN(C(=O)CCCC3=N[N-]N=N3)CCC21	REAL250004663842	0	42	0.0	-72.88	318.96	4.91	-67.97
C[N@H+]1CCC2CN(C(=O)CCCC3=N[N-]N=N3)CCC21	REAL250004663842	1	42	0.0	-73.57	314.37	4.65	-68.92
C[N@@H+]1CCC2CN(C(=O)CCCC3=NN=N[N-]3)CCC21	REAL250004663842	1	42	0.0	-72.88	318.96	4.91	-67.97
C[N@H+]1CCC2CN(C(=O)CCCC3=NN=N[N-]3)CCC21	REAL250004663842	1	42	0.0	-73.57	314.37	4.65	-68.92
CC(C)[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1C	REAL250004663848	0	44	0.0	-72.37	324.16	5.14	-67.23
CC(C)[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1C	REAL250004663848	1	44	0.0	-72.34	321.18	4.80	-67.54
CC(C)[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1C	REAL250004663848	1	44	0.0	-72.37	324.16	5.14	-67.23
CC(C)[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1C	REAL250004663848	1	44	0.0	-72.34	321.18	4.80	-67.54
C[NH+](C)C1(C)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663856	0	47	0.0	-72.96	335.42	4.57	-68.39
C[NH+](C)C1(C)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663856	1	47	0.0	-72.94	335.48	4.59	-68.35
CC1=CC(NNC(=O)CCCC2=N[N-]N=N2)=NC(N)=[NH+]1	REAL250004663893	0	35	0.0	-62.40	302.02	2.53	-59.87
CC[N@@H+]1CCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663943	0	38	0.0	-69.52	299.91	3.27	-66.25
CC[N@H+]1CCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004663943	1	38	0.0	-69.11	303.70	3.04	-66.07
CC[N@@H+]1CCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663943	1	38	0.0	-69.52	299.91	3.27	-66.25
CC[N@H+]1CCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004663943	1	38	0.0	-69.11	303.70	3.04	-66.07
CCN1CCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663944	0	38	0.0	-56.54	310.18	2.94	-53.60
CC[N@H+]1CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663944	1	38	0.0	-56.54	310.18	2.94	-53.60
CC1([NH+]2CCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004663945	0	45	0.0	-70.89	327.31	5.11	-65.78
CC1([NH+]2CCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004663945	1	45	0.0	-70.95	327.37	5.12	-65.83
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004663994	0	41	0.0	-71.73	303.92	4.51	-67.22
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004663994	1	41	0.0	-71.75	303.87	4.49	-67.26
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004663994	1	41	0.0	-71.79	303.97	4.53	-67.26
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004663994	1	41	0.0	-71.79	303.92	4.51	-67.28
C[N@@H+]1CCCC2C1CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004664019	0	42	0.0	-72.99	318.82	4.88	-68.11
C[N@H+]1CCCC2C1CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004664019	1	42	0.0	-73.03	318.82	4.88	-68.15
C[N@@H+]1CCCC2C1CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004664019	1	42	0.0	-73.01	318.88	4.89	-68.12
C[N@H+]1CCCC2C1CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004664019	1	42	0.0	-73.03	318.88	4.89	-68.14
CCOC(CNC(=O)CCCC1=N[N-]N=N1)C[NH+](C)C	REAL250004664091	0	44	0.0	-71.18	348.28	2.72	-68.46
CCOC(CNC(=O)CCCC1=NN=N[N-]1)C[NH+](C)C	REAL250004664091	1	44	0.0	-71.24	348.33	2.74	-68.50
C[N@@H+]1CC(O)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004664132	0	39	0.0	-72.82	307.42	-0.90	-73.72
C[N@H+]1CC(O)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004664132	1	39	0.0	-68.25	307.17	-0.92	-69.17
C[N@@H+]1CC(O)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004664132	1	39	0.0	-72.83	307.48	-0.88	-73.71
C[N@H+]1CC(O)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004664132	1	39	0.0	-68.23	307.23	-0.91	-69.14
C[N@H+](CCO)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004664133	0	38	0.0	-70.07	305.21	-0.80	-70.87
C[N@@H+](CCO)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004664133	1	38	0.0	-69.88	305.19	-0.82	-70.70
C[N@H+](CCO)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004664133	1	38	0.0	-70.05	305.27	-0.78	-70.83
C[N@@H+](CCO)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004664133	1	38	0.0	-69.90	305.25	-0.81	-70.71
C[N@H+](CCO)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664134	0	38	0.0	-59.49	315.80	-1.00	-60.49
C[N@@H+](CCO)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664134	1	38	0.0	-59.11	315.75	-1.01	-60.12
C[N@H+](CCO)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664134	1	38	0.0	-59.43	315.87	-0.99	-60.42
C[N@@H+](CCO)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664134	1	38	0.0	-59.06	315.82	-1.00	-60.06
CN(C)C1=CC=[NH+]C(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004664162	0	40	0.0	-63.35	328.65	2.45	-60.90
CN(C)C1=CC=[NH+]C(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004664162	1	40	0.0	-63.39	328.71	2.47	-60.92
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004664198	0	42	0.0	-63.34	309.71	5.69	-57.65
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004664198	1	42	0.0	-68.50	309.66	5.75	-62.75
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004664198	1	42	0.0	-63.32	309.77	5.71	-57.61
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004664198	1	42	0.0	-68.50	309.71	5.77	-62.73
CC1C(NC(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1C	REAL250004664210	0	38	0.0	-69.87	297.38	2.55	-67.32
CC1C(NC(=O)CCCC2=N[N-]N=N2)CC[N@H+]1C	REAL250004664210	1	38	0.0	-71.15	291.55	2.93	-68.22
CC1C(NC(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1C	REAL250004664210	1	38	0.0	-69.87	297.44	2.56	-67.31
CC1C(NC(=O)CCCC2=NN=N[N-]2)CC[N@H+]1C	REAL250004664210	1	38	0.0	-71.17	291.60	2.95	-68.22
C#CC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664211	0	40	0.0	-71.20	325.49	4.21	-66.99
CC1=CC=C(NCCNC(=O)CCCC2=NN=N[N-]2)[NH+]=C1	REAL250004664256	1	40	0.0	-65.65	333.68	2.63	-63.02
CC1=CC=CC(NCCNC(=O)CCCC2=N[N-]N=N2)=[NH+]1	REAL250004664257	1	40	0.0	-64.33	333.56	2.56	-61.77
CC1=CC=CC(NCCNC(=O)CCCC2=NN=N[N-]2)=[NH+]1	REAL250004664257	1	40	0.0	-64.35	333.62	2.57	-61.78
CC(C)CC1C[N@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664278	0	47	0.0	-76.27	340.41	5.41	-70.86
CC(C)CC1C[N@@H+](C)CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004664278	1	47	0.0	-75.90	349.14	6.47	-69.43
CC(C)CC1C[N@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664278	1	47	0.0	-76.26	340.46	5.42	-70.84
CC(C)CC1C[N@@H+](C)CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004664278	1	47	0.0	-75.94	349.20	6.49	-69.45
O=C(CCCC1=N[N-]N=N1)N1CC([NH2+]C2CCOC2)C1	REAL250004664301	0	40	0.0	-81.94	318.90	1.08	-80.86
O=C(CCCC1=NN=N[N-]1)N1CC([NH2+]C2CCOC2)C1	REAL250004664301	1	40	0.0	-81.92	318.96	1.09	-80.83
C[N@@H+]1C[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@]2(C)C1	REAL250004664339	0	42	0.0	-77.88	322.75	4.66	-73.22
C[N@H+]1C[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@]2(C)C1	REAL250004664339	1	42	0.0	-77.61	323.90	4.70	-72.91
C[N@@H+]1C[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@]2(C)C1	REAL250004664339	1	42	0.0	-77.89	322.81	4.68	-73.21
C[N@H+]1C[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@]2(C)C1	REAL250004664339	1	42	0.0	-77.63	323.96	4.71	-72.92
C[N@@H+]1CC2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2C1	REAL250004664422	0	45	0.0	-76.54	339.25	4.74	-71.80
C[N@H+]1CC2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2C1	REAL250004664422	1	45	0.0	-76.66	339.36	4.75	-71.91
C[N@@H+]1CC2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2C1	REAL250004664422	1	45	0.0	-76.56	339.31	4.76	-71.80
C[N@H+]1CC2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2C1	REAL250004664422	1	45	0.0	-76.68	339.42	4.76	-71.92
C[N@@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004664464	0	41	0.0	-68.63	313.44	3.90	-64.73
C[N@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004664464	1	41	0.0	-67.79	313.39	3.92	-63.87
C[N@@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004664464	1	41	0.0	-68.68	313.49	3.92	-64.76
C[N@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004664464	1	41	0.0	-67.84	313.45	3.93	-63.91
CC[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004664481	0	44	0.0	-69.24	321.67	5.13	-64.11
CC[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL250004664481	1	44	0.0	-69.24	321.60	5.12	-64.12
CC[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004664481	1	44	0.0	-69.25	321.73	5.14	-64.11
CC[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL250004664481	1	44	0.0	-69.24	321.66	5.15	-64.09
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCCC1=N[N-]N=N1	REAL250004664531	0	46	0.0	-65.20	353.61	4.87	-60.33
CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCCC1=NN=N[N-]1	REAL250004664531	1	46	0.0	-65.22	353.67	4.88	-60.34
CC1(C)CC[N@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664588	0	44	0.0	-69.09	342.54	4.02	-65.07
CC1(C)CC[N@@H+](CCNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004664588	1	44	0.0	-69.11	343.07	4.03	-65.08
CC1(C)CC[N@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664588	1	44	0.0	-69.08	342.60	4.04	-65.04
CC1(C)CC[N@@H+](CCNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004664588	1	44	0.0	-69.14	343.13	4.05	-65.09
CCC(C)[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664629	0	47	0.0	-66.72	349.06	4.73	-61.99
CCC(C)[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664629	1	47	0.0	-66.71	349.12	4.74	-61.97
C[NH+]1CCC2(CCN2C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004664686	0	42	0.0	-58.67	318.21	4.82	-53.85
C[NH+]1CCC2(CCN2C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004664686	1	42	0.0	-58.67	318.26	4.82	-53.85
C[C@H](C[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664755	0	37	0.0	-57.40	306.56	2.77	-54.63
C[C@H](C[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664755	1	37	0.0	-57.42	306.63	2.78	-54.64
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004664771	0	43	0.0	-65.08	323.06	2.23	-62.85
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004664771	1	43	0.0	-67.32	323.04	1.91	-65.41
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004664771	1	43	0.0	-65.09	323.11	2.24	-62.85
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004664771	1	43	0.0	-67.30	323.10	1.93	-65.37
CN(CCC[NH+]1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL250004664780	1	45	0.0	-68.42	349.62	4.12	-64.30
CC(C)C(CCNC(=O)CCCC1=N[N-]N=N1)[NH+](C)C	REAL250004664797	0	46	0.0	-67.26	338.36	3.80	-63.46
CC(C)C(CCNC(=O)CCCC1=NN=N[N-]1)[NH+](C)C	REAL250004664797	1	46	0.0	-67.32	338.42	3.81	-63.51
C[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004664809	0	45	0.0	-72.07	344.45	2.38	-69.69
C[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004664809	1	45	0.0	-72.09	344.45	2.38	-69.71
C[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004664809	1	45	0.0	-72.09	344.51	2.40	-69.69
C[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004664809	1	45	0.0	-72.08	344.51	2.40	-69.68
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CC2(COC2)C1	REAL250004664833	1	40	0.0	-75.01	326.40	1.27	-73.74
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CC2(COC2)C1	REAL250004664833	1	40	0.0	-75.06	326.46	1.28	-73.78
C[N@@H+]1CC2CCC(NC(=O)CCCC3=N[N-]N=N3)C2C1	REAL250004664871	0	42	0.0	-71.56	323.60	3.89	-67.67
C[N@H+]1CC2CCC(NC(=O)CCCC3=N[N-]N=N3)C2C1	REAL250004664871	1	42	0.0	-76.54	319.58	4.05	-72.49
C[N@@H+]1CC2CCC(NC(=O)CCCC3=NN=N[N-]3)C2C1	REAL250004664871	1	42	0.0	-71.58	323.66	3.90	-67.68
C[N@H+]1CC2CCC(NC(=O)CCCC3=NN=N[N-]3)C2C1	REAL250004664871	1	42	0.0	-76.57	319.64	4.07	-72.50
CC1=[NH+]C=C2CN(C(=O)CCCC3=NN=N[N-]3)CCN21	REAL250004664882	1	37	0.0	-66.08	299.81	4.57	-61.51
CCC[NH+](CCC)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004664987	0	46	0.0	-69.14	355.82	4.61	-64.53
CCC[NH+](CCC)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004664987	1	46	0.0	-69.21	355.87	4.62	-64.59
CC[NH+](CC)CCC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004665007	0	46	0.0	-70.58	353.91	4.91	-65.67
CC[NH+](CC)CCC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004665007	1	46	0.0	-70.64	353.97	4.93	-65.71
CN(C(=O)CCCC1=N[N-]N=N1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL250004665066	0	39	0.0	-74.73	305.71	0.59	-74.14
CN(C(=O)CCCC1=N[N-]N=N1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL250004665066	1	39	0.0	-76.47	303.53	0.82	-75.65
CN(C(=O)CCCC1=NN=N[N-]1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL250004665066	1	39	0.0	-74.76	305.77	0.61	-74.15
CN(C(=O)CCCC1=NN=N[N-]1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL250004665066	1	39	0.0	-76.49	303.59	0.84	-75.65
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004665098	0	39	0.0	-70.76	314.91	1.31	-69.45
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004665098	1	39	0.0	-68.11	315.00	1.28	-66.83
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004665098	1	39	0.0	-70.77	314.97	1.32	-69.45
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004665098	1	39	0.0	-68.13	315.06	1.30	-66.83
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)CCCC1=N[N-]N=N1	REAL250004665107	0	39	0.0	-72.87	300.28	4.43	-68.44
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CCCC1=N[N-]N=N1	REAL250004665107	1	39	0.0	-72.25	302.20	4.59	-67.66
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)CCCC1=NN=N[N-]1	REAL250004665107	1	39	0.0	-72.90	300.34	4.44	-68.46
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)CCCC1=NN=N[N-]1	REAL250004665107	1	39	0.0	-72.25	302.26	4.60	-67.65
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665108	0	39	0.0	-59.50	307.96	4.54	-54.96
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665108	1	39	0.0	-58.67	309.48	4.73	-53.94
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665108	1	39	0.0	-59.58	307.89	4.54	-55.04
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665108	1	39	0.0	-58.68	309.41	4.72	-53.96
CCCC[N@@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665136	0	47	0.0	-71.14	365.56	5.12	-66.02
CCCC[N@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665136	1	47	0.0	-71.44	366.42	5.09	-66.35
CCCC[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665136	1	47	0.0	-71.20	365.61	5.14	-66.06
CCCC[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665136	1	47	0.0	-71.50	366.47	5.10	-66.40
CCC(C)[N@@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665140	0	47	0.0	-69.17	359.14	4.74	-64.43
CCC(C)[N@H+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004665140	1	47	0.0	-69.55	359.89	4.67	-64.88
CCC(C)[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665140	1	47	0.0	-69.21	359.20	4.76	-64.45
CCC(C)[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004665140	1	47	0.0	-69.56	359.94	4.68	-64.88
O=C(CCCC1=N[N-]N=N1)NCC12CC(C1)C[N@@H+]2C1CC1	REAL250004665141	0	43	0.0	-65.85	339.31	4.45	-61.40
O=C(CCCC1=N[N-]N=N1)NCC12CC(C1)C[N@H+]2C1CC1	REAL250004665141	1	43	0.0	-64.65	337.36	4.63	-60.02
O=C(CCCC1=NN=N[N-]1)NCC12CC(C1)C[N@@H+]2C1CC1	REAL250004665141	1	43	0.0	-65.81	339.36	4.46	-61.35
O=C(CCCC1=NN=N[N-]1)NCC12CC(C1)C[N@H+]2C1CC1	REAL250004665141	1	43	0.0	-64.65	337.42	4.65	-60.00
CC[N@H+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665180	0	41	0.0	-70.53	317.84	4.64	-65.89
CC[N@@H+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004665180	1	41	0.0	-70.78	317.83	4.63	-66.15
CC[N@H+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665180	1	41	0.0	-70.52	317.90	4.65	-65.87
CC[N@@H+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004665180	1	41	0.0	-70.79	317.89	4.65	-66.14
C[NH+]1CCC2(CN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL250004665189	0	42	0.0	-75.08	327.77	5.00	-70.08
C[NH+]1CCC2(CN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL250004665189	1	42	0.0	-75.06	327.83	5.02	-70.04
CC[N@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665196	0	47	0.0	-73.59	349.85	6.25	-67.34
CC[N@@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004665196	1	47	0.0	-75.41	349.92	6.26	-69.15
CC[N@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665196	1	47	0.0	-73.60	349.91	6.26	-67.34
CC[N@@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004665196	1	47	0.0	-75.45	349.98	6.27	-69.18
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004665230	0	45	0.0	-66.16	328.47	4.24	-61.92
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004665230	1	45	0.0	-72.30	329.99	4.11	-68.19
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004665230	1	45	0.0	-66.20	328.53	4.25	-61.95
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004665230	1	45	0.0	-72.31	330.05	4.13	-68.18
C[NH+](C)CC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004665264	0	42	0.0	-58.66	314.44	2.92	-55.74
C[NH+](C)CC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004665264	1	42	0.0	-58.66	314.50	2.94	-55.72
CCC[N@@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665328	0	47	0.0	-67.81	347.89	4.60	-63.21
CCC[N@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665328	1	47	0.0	-67.09	352.34	5.28	-61.81
CCC[N@@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665328	1	47	0.0	-67.83	347.95	4.62	-63.21
CCC[N@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665328	1	47	0.0	-67.10	352.40	5.29	-61.81
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1C1CC1	REAL250004665574	0	42	0.0	-69.07	317.03	5.46	-63.61
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1C1CC1	REAL250004665574	1	42	0.0	-69.31	318.68	5.44	-63.87
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1C1CC1	REAL250004665574	1	42	0.0	-69.10	317.08	5.47	-63.63
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1C1CC1	REAL250004665574	1	42	0.0	-69.37	318.74	5.46	-63.91
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL250004665606	0	42	0.0	-70.95	328.83	1.64	-69.31
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL250004665606	1	42	0.0	-70.98	328.89	1.65	-69.33
C[NH+](C)CCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004665608	0	46	0.0	-71.49	363.12	4.87	-66.62
C[NH+](C)CCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004665608	1	46	0.0	-71.53	363.18	4.89	-66.64
C[N@@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)CC12CCC2	REAL250004665609	0	42	0.0	-63.12	323.98	3.73	-59.39
C[N@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)CC12CCC2	REAL250004665609	1	42	0.0	-63.15	324.02	3.74	-59.41
C[N@@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)CC12CCC2	REAL250004665609	1	42	0.0	-63.15	324.04	3.75	-59.40
C[N@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)CC12CCC2	REAL250004665609	1	42	0.0	-63.18	324.08	3.75	-59.43
C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC3=N[N-]N=N3)[C@@H]2C1	REAL250004665637	0	39	0.0	-67.61	300.45	4.31	-63.30
C[N@H+]1C[C@@H]2CCN(C(=O)CCCC3=N[N-]N=N3)[C@@H]2C1	REAL250004665637	1	39	0.0	-66.86	300.37	4.30	-62.56
C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC3=NN=N[N-]3)[C@@H]2C1	REAL250004665637	1	39	0.0	-67.63	300.51	4.33	-63.30
C[N@H+]1C[C@@H]2CCN(C(=O)CCCC3=NN=N[N-]3)[C@@H]2C1	REAL250004665637	1	39	0.0	-66.87	300.43	4.32	-62.55
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004665638	0	39	0.0	-69.85	309.33	1.15	-68.70
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004665638	1	39	0.0	-69.86	309.39	1.16	-68.70
C[N@@H+]1CC2CC1CC2NC(=O)CCCC1=N[N-]N=N1	REAL250004665668	0	39	0.0	-72.33	299.92	3.82	-68.51
C[N@H+]1CC2CC1CC2NC(=O)CCCC1=N[N-]N=N1	REAL250004665668	1	39	0.0	-72.30	294.25	3.73	-68.57
C[N@@H+]1CC2CC1CC2NC(=O)CCCC1=NN=N[N-]1	REAL250004665668	1	39	0.0	-72.34	299.98	3.83	-68.51
C[N@H+]1CC2CC1CC2NC(=O)CCCC1=NN=N[N-]1	REAL250004665668	1	39	0.0	-72.35	294.30	3.74	-68.61
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665669	0	39	0.0	-57.87	310.49	3.63	-54.24
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004665669	1	39	0.0	-60.40	310.49	2.90	-57.50
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665669	1	39	0.0	-57.90	310.56	3.63	-54.27
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004665669	1	39	0.0	-60.37	310.55	2.90	-57.47
CCC1=[NH+]C=CN1CC(C)NC(=O)CCCC1=N[N-]N=N1	REAL250004665679	1	42	0.0	-64.80	345.50	4.73	-60.07
CCC1=[NH+]C=CN1CC(C)NC(=O)CCCC1=NN=N[N-]1	REAL250004665679	1	42	0.0	-64.80	345.56	4.75	-60.05
CC[NH+](CC)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665890	0	39	0.0	-64.52	304.05	2.53	-61.99
CC(C)[N@H+](C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665902	0	39	0.0	-66.99	307.30	2.67	-64.32
CC(C)[N@@H+](C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665902	1	39	0.0	-63.09	307.29	2.68	-60.41
CCC[N@H+](C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665928	0	39	0.0	-66.48	312.38	2.87	-63.61
CCC[N@@H+](C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004665928	1	39	0.0	-66.47	312.39	2.88	-63.59
CCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL250004665969	0	39	0.0	-61.62	303.52	2.49	-59.13
C[NH+](C)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004666096	1	37	0.0	-65.94	295.37	3.04	-62.90
C[C@@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL250004666161	0	36	0.0	-68.08	290.93	1.87	-66.21
CC1=C[NH+]=CN1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666170	1	35	0.0	-67.82	302.64	3.83	-63.99
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666174	1	37	0.0	-61.74	298.79	2.52	-59.22
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666174	1	37	0.0	-62.43	293.13	2.02	-60.41
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666175	1	37	0.0	-65.00	292.90	2.04	-62.96
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004666175	1	37	0.0	-65.72	298.46	2.51	-63.21
C[C@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL250004666176	0	36	0.0	-68.12	290.97	1.87	-66.25
O=C(CCCC1=N[N-]N=N1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL250004666303	0	43	0.0	-68.40	328.12	1.81	-66.59
O=C(CCCC1=NN=N[N-]1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL250004666303	1	43	0.0	-68.40	328.18	1.83	-66.57
CC(C)(CC[NH+]1CCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004666312	0	47	0.0	-72.73	351.14	4.72	-68.01
CC(C)(CC[NH+]1CCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004666312	1	47	0.0	-72.76	351.20	4.74	-68.02
C[NH+](C)CCN(CCO)C(=O)CCCC1=N[N-]N=N1	REAL250004666327	0	41	0.0	-64.17	324.46	1.58	-62.59
C[NH+](C)CCN(CCO)C(=O)CCCC1=NN=N[N-]1	REAL250004666327	1	41	0.0	-64.16	324.51	1.60	-62.56
CC(C)(C)[N@@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004666380	0	47	0.0	-66.34	347.08	4.37	-61.97
CC(C)(C)[N@H+]1CCCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004666380	1	47	0.0	-66.34	347.06	4.37	-61.97
CC(C)(C)[N@@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004666380	1	47	0.0	-66.37	347.14	4.38	-61.99
CC(C)(C)[N@H+]1CCCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004666380	1	47	0.0	-66.41	347.12	4.38	-62.03
C[N@@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)CC12CCCC2	REAL250004666418	0	45	0.0	-63.78	337.05	4.26	-59.52
C[N@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)CC12CCCC2	REAL250004666418	1	45	0.0	-64.98	341.00	4.59	-60.39
C[N@@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)CC12CCCC2	REAL250004666418	1	45	0.0	-63.80	337.11	4.28	-59.52
C[N@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)CC12CCCC2	REAL250004666418	1	45	0.0	-64.99	341.06	4.60	-60.39
C[NH+](C)CCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004666504	0	45	0.0	-69.39	347.96	4.07	-65.32
C[NH+](C)CCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004666504	1	45	0.0	-69.37	348.02	4.08	-65.29
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CC2CC2C1	REAL250004666521	0	39	0.0	-69.58	312.90	3.66	-65.92
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CC2CC2C1	REAL250004666521	1	39	0.0	-69.61	312.96	3.67	-65.94
O=C(NCC[NH+]1CC2CC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004666522	0	39	0.0	-59.06	323.56	3.46	-55.60
O=C(NCC[NH+]1CC2CC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004666522	1	39	0.0	-59.12	323.49	3.45	-55.67
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2=[NH+]C=CN21	REAL250004666560	1	40	0.0	-64.53	318.81	4.59	-59.94
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2=[NH+]C=CN21	REAL250004666560	1	40	0.0	-64.58	318.87	4.61	-59.97
C[NH+](C)CC1CC2(CCN2C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666594	0	45	0.0	-66.13	349.68	5.74	-60.39
C[NH+](C)CC1CC2(CCN2C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666594	1	45	0.0	-66.14	349.74	5.76	-60.38
O=C(CCCC1=N[N-]N=N1)NCC1CCCC2=[NH+]C=CN21	REAL250004666671	1	40	0.0	-64.53	318.81	4.59	-59.94
O=C(CCCC1=NN=N[N-]1)NCC1CCCC2=[NH+]C=CN21	REAL250004666671	1	40	0.0	-64.58	318.87	4.61	-59.97
C[NH+](C)[C@H]1CCCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004666677	0	44	0.0	-62.10	325.07	5.59	-56.51
C[NH+](C)[C@H]1CCCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004666677	1	44	0.0	-62.14	325.13	5.61	-56.53
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C1COC1	REAL250004666706	0	43	0.0	-77.48	323.21	2.86	-74.62
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C1COC1	REAL250004666706	1	43	0.0	-77.04	323.91	2.74	-74.30
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C1COC1	REAL250004666706	1	43	0.0	-77.51	323.27	2.88	-74.63
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1C1COC1	REAL250004666706	1	43	0.0	-77.03	323.97	2.75	-74.28
CCC[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004666793	0	46	0.0	-68.18	343.03	3.92	-64.26
CCC[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL250004666793	1	46	0.0	-67.56	343.52	4.02	-63.54
CCC[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004666793	1	46	0.0	-68.15	343.09	3.93	-64.22
CCC[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL250004666793	1	46	0.0	-67.59	343.58	4.04	-63.55
C[N@@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004666824	0	44	0.0	-72.50	328.70	4.66	-67.84
C[N@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C(C)(C)C1	REAL250004666824	1	44	0.0	-72.50	328.69	4.66	-67.84
C[N@@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004666824	1	44	0.0	-72.48	328.76	4.68	-67.80
C[N@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL250004666824	1	44	0.0	-72.52	328.75	4.68	-67.84
C[C@@H](C[NH+]1CCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL250004666826	0	41	0.0	-69.29	321.05	4.01	-65.28
C[C@@H](C[NH+]1CCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL250004666826	1	41	0.0	-69.31	321.11	4.03	-65.28
CCCCCNC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666852	0	47	0.0	-53.81	358.13	5.02	-48.79
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1CC1	REAL250004666853	0	39	0.0	-60.19	303.77	3.57	-56.62
FC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004666854	0	38	0.0	-59.89	300.08	7.12	-52.77
CC(C)C(C)NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666855	0	47	0.0	-53.54	351.47	5.02	-48.52
CC1=CC=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666856	0	41	0.0	-53.98	309.30	7.67	-46.31
CC1=CC=CC=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004666856	1	41	0.0	-53.98	309.23	7.66	-46.32
COC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004666857	0	42	0.0	-57.30	323.17	6.36	-50.94
COC1=CC=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004666857	1	42	0.0	-57.25	323.10	6.34	-50.91
CN(C)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666858	0	38	0.0	-53.09	289.50	3.78	-49.31
CC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004666859	0	41	0.0	-54.57	315.06	7.73	-46.84
CC1=CC=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004666859	1	41	0.0	-54.53	314.99	7.71	-46.82
C1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL250004666860	1	34	0.0	-51.73	279.12	4.10	-47.63
NC(=O)NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666862	1	36	0.0	-66.57	285.77	0.57	-66.00
CNC(=O)NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666863	1	39	0.0	-66.41	307.70	1.98	-64.43
CC(C)(C)OCC(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666864	0	48	0.0	-57.77	355.81	3.04	-54.73
CCN(CC)C(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666866	0	47	0.0	-48.73	347.86	6.01	-42.72
OC(CN1CCC(CC2=N[N-]N=N2)CC1)C[NH+]1CCCC1	REAL250004666868	0	47	0.0	-59.89	344.45	2.23	-57.66
C1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C2C=CC=CN12	REAL250004666869	1	41	0.0	-59.95	321.31	7.83	-52.12
CCCCOC(=O)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666870	0	46	0.0	-58.00	355.12	7.40	-50.60
CCCCOC(=O)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004666870	1	46	0.0	-57.96	355.06	7.39	-50.57
CCOC(=O)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666871	0	40	0.0	-58.29	312.12	5.83	-52.46
CCOC(=O)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004666871	1	40	0.0	-58.23	312.06	5.81	-52.42
COC(=O)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666872	0	37	0.0	-58.59	290.26	4.91	-53.68
COC(=O)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004666872	1	37	0.0	-58.56	290.20	4.90	-53.66
N#CCCC(C#N)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666873	1	39	0.0	-73.45	315.39	6.31	-67.14
CNC(=O)NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666874	0	42	0.0	-61.97	325.75	2.42	-59.55
COCCCNC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666875	0	45	0.0	-55.21	348.80	2.53	-52.68
CC(C)COCC(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666876	0	48	0.0	-54.02	363.36	3.42	-50.60
CC(C)COCC(O)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004666876	1	48	0.0	-54.05	363.30	3.41	-50.64
NC(=O)NC(=O)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666877	0	39	0.0	-73.37	308.04	1.22	-72.15
NC(=O)NC(=O)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004666877	1	39	0.0	-73.34	307.98	1.21	-72.13
O=C1NCCCCC1[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666878	0	42	0.0	-54.60	295.61	3.81	-50.79
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCC1	REAL250004666881	0	39	0.0	-52.73	301.38	4.30	-48.43
O=C1CCC(=O)N1CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666882	0	41	0.0	-57.02	321.58	4.59	-52.43
O=C1CCC(=O)N1CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004666882	1	41	0.0	-57.01	321.51	4.59	-52.42
O[C@@H]1CCCC[C@H]1[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666884	0	42	0.0	-47.74	299.62	3.06	-44.68
O[C@@H]1CCCC[C@H]1[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004666884	1	42	0.0	-47.71	299.56	3.05	-44.66
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCNC1=O	REAL250004666885	0	40	0.0	-53.02	309.60	2.05	-50.97
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1CCCC1	REAL250004666886	0	45	0.0	-60.02	337.64	4.86	-55.16
CCC1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL250004666887	1	40	0.0	-51.98	322.15	5.51	-46.47
C1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C2N=CC=CN12	REAL250004666888	1	40	0.0	-67.58	316.17	8.38	-59.20
CNC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666890	0	38	0.0	-50.73	290.19	2.23	-48.50
ClC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL250004666891	0	38	0.0	-59.30	310.10	7.52	-51.78
FC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL250004666892	0	38	0.0	-60.34	299.78	7.06	-53.28
C1=CC=C(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C1	REAL250004666893	0	40	0.0	-54.33	310.42	6.13	-48.20
C1=CC=C(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)N=C1	REAL250004666893	1	40	0.0	-54.30	310.35	6.12	-48.18
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NCC1CC1	REAL250004666896	1	42	0.0	-60.25	325.16	4.25	-56.00
CCC(C)NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666898	0	47	0.0	-50.04	352.94	4.85	-45.19
CCCCNC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666899	0	47	0.0	-50.31	354.68	4.61	-45.70
CC(C)OCC(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666900	0	45	0.0	-54.24	342.03	2.68	-51.56
CC(C1=CC=C(F)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666902	0	41	0.0	-53.11	315.05	7.77	-45.34
OC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL250004666903	0	42	0.0	-55.81	322.88	4.90	-50.91
OC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL250004666903	1	42	0.0	-55.78	322.81	4.88	-50.90
N#CCCNC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666904	1	39	0.0	-64.92	314.48	3.21	-61.71
CC1=NOC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004666905	0	37	0.0	-63.58	291.88	5.29	-58.29
N#CC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004666906	0	39	0.0	-66.21	314.50	7.45	-58.76
CC(C(=O)NC1CC1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666907	0	42	0.0	-55.18	321.80	3.97	-51.21
C1=CC=C(CCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL250004666908	0	44	0.0	-54.47	337.71	8.70	-45.77
C1=CC=C(CCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL250004666908	1	44	0.0	-54.49	337.64	8.68	-45.81
CC1CC([NH+]2CCC(CC3=NN=N[N-]3)CC2)C(=O)O1	REAL250004666909	1	38	0.0	-60.26	288.13	5.06	-55.20
CC(C1=CC=CC=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666910	0	41	0.0	-51.38	308.66	7.71	-43.67
CC(C1=CC=CC=C1)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004666910	1	41	0.0	-51.32	308.60	7.70	-43.62
CC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004666911	0	41	0.0	-54.57	315.06	7.73	-46.84
CC1=CC=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004666911	1	41	0.0	-54.53	314.99	7.71	-46.82
CC1=CC(C)=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004666912	0	44	0.0	-54.99	336.15	8.33	-46.66
CC1=CC(C)=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004666912	1	44	0.0	-54.96	336.09	8.31	-46.65
C1=CC=C2OC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=NC2=C1	REAL250004666913	0	40	0.0	-58.89	317.21	4.10	-54.79
CC1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL250004666914	1	37	0.0	-55.49	300.71	5.07	-50.42
C1=CC=C(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL250004666915	0	42	0.0	-53.66	323.60	6.85	-46.81
CC(C)CNC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666916	0	47	0.0	-54.99	352.07	4.59	-50.40
C1=CC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=N1	REAL250004666917	0	40	0.0	-59.68	311.08	6.15	-53.53
C1=CC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=CC=N1	REAL250004666917	1	40	0.0	-59.62	311.02	6.15	-53.47
CC1=CC=C(C)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004666918	0	44	0.0	-54.07	331.19	8.36	-45.71
CC1=CC=C(C)C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004666918	1	44	0.0	-54.03	331.13	8.35	-45.68
C(=CC1=CC=CC=C1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666919	0	42	0.0	-56.60	327.49	8.50	-48.10
C(=CC1=CC=CC=C1)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004666919	1	42	0.0	-56.60	327.43	8.49	-48.11
FC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1F	REAL250004666920	1	38	0.0	-62.48	301.21	6.99	-55.49
ClC1(Cl)CC1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666921	0	35	0.0	-55.45	301.23	6.73	-48.72
ClC1(Cl)CC1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004666921	1	35	0.0	-55.44	301.17	6.72	-48.72
C#CCNC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666926	0	40	0.0	-55.33	317.47	3.59	-51.74
C=CCNC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666927	0	39	0.0	-53.74	306.44	3.26	-50.48
ClC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)S1	REAL250004666928	0	35	0.0	-56.01	301.49	6.83	-49.18
CC1=NOC(C)=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666929	0	40	0.0	-62.05	308.71	5.72	-56.33
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCCC1	REAL250004666930	0	42	0.0	-59.30	317.70	5.08	-54.22
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCCCC1	REAL250004666931	0	45	0.0	-53.25	331.37	5.82	-47.43
CC(C(=O)N(C)C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666932	0	41	0.0	-49.84	305.44	4.10	-45.74
N#CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL250004666934	0	39	0.0	-65.37	314.49	7.44	-57.93
ClC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004666935	0	38	0.0	-58.69	310.40	7.57	-51.12
ClC1=CC=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666936	0	38	0.0	-50.01	307.22	7.49	-42.52
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCOCC1	REAL250004666937	0	43	0.0	-62.42	322.50	3.39	-59.03
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCCCO2)CC1	REAL250004666938	0	42	0.0	-49.90	308.94	5.37	-44.53
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCCCO2)CC1	REAL250004666938	1	42	0.0	-49.88	308.88	5.36	-44.52
FC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004666939	0	38	0.0	-59.89	300.08	7.12	-52.77
CC(C(=O)NC(N)=O)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004666940	0	39	0.0	-62.19	303.82	1.01	-61.18
CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL250004666941	0	41	0.0	-54.63	315.06	7.74	-46.89
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CCOCC(O)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667038	1	42	0.0	-57.93	321.44	1.89	-56.04
O=C1CNC(=O)N1CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667039	0	40	0.0	-57.85	316.20	2.07	-55.78
O=C1CNC(=O)N1CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667039	1	40	0.0	-57.78	316.13	2.06	-55.72
CS(=O)(=O)NCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667040	0	39	0.0	-66.24	313.34	0.28	-65.96
CS(=O)(=O)NCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667040	1	39	0.0	-66.21	313.28	0.27	-65.94
COC1=CC=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667041	0	41	0.0	-55.99	318.67	4.87	-51.12
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NCC1CCC1	REAL250004667042	1	45	0.0	-60.04	341.86	4.76	-55.28
CCC1=CC=C(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL250004667043	0	47	0.0	-54.84	359.09	9.36	-45.48
CCC1=CC=C(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL250004667043	1	47	0.0	-54.81	359.03	9.36	-45.45
CC(C1=CC=C(C#N)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667044	0	42	0.0	-58.89	329.46	8.10	-50.79
CC(C1=CC=C(C#N)C=C1)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667044	1	42	0.0	-58.87	329.39	8.09	-50.78
CCS(=O)(=O)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667045	1	40	0.0	-66.89	319.90	2.56	-64.33
CCC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL250004667046	0	44	0.0	-54.60	336.55	8.49	-46.11
CCC1=CC=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL250004667046	1	44	0.0	-54.58	336.48	8.49	-46.09
CN1CCC([NH+]2CCC(CC3=NN=N[N-]3)CC2)C1=O	REAL250004667048	0	39	0.0	-60.28	294.43	3.97	-56.31
CCCCNC(=O)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667049	0	47	0.0	-59.70	358.90	4.80	-54.90
CCCCNC(=O)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667049	1	47	0.0	-59.68	358.83	4.79	-54.89
COC(=O)CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667050	0	40	0.0	-57.54	311.76	5.71	-51.83
COC(=O)CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667050	1	40	0.0	-57.54	311.70	5.69	-51.85
C1=CSC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667052	0	38	0.0	-54.17	306.46	7.00	-47.17
C1=CSC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004667052	1	38	0.0	-54.16	306.40	6.99	-47.17
CCC(C1=CC=CC=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667053	0	44	0.0	-50.90	320.16	7.87	-43.03
CCC(C1=CC=CC=C1)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667053	1	44	0.0	-50.92	320.09	7.86	-43.06
C1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC2=C1CCC2	REAL250004667054	0	45	0.0	-55.10	339.20	8.97	-46.13
C1=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=CC2=C1CCC2	REAL250004667054	1	45	0.0	-55.04	339.14	8.95	-46.09
COCCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667055	0	44	0.0	-54.04	332.97	5.53	-48.51
COCCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667055	1	44	0.0	-54.01	332.91	5.51	-48.50
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCOCC2)CC1	REAL250004667056	0	42	0.0	-54.99	306.48	5.09	-49.90
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCOCC2)CC1	REAL250004667056	1	42	0.0	-54.98	306.42	5.08	-49.90
CC(C)N1C=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667057	1	44	0.0	-50.19	337.90	6.16	-44.03
CS(=O)(=O)CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667058	0	40	0.0	-65.33	319.94	2.44	-62.89
CS(=O)(=O)CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667058	1	40	0.0	-65.27	319.88	2.43	-62.84
C1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=N1	REAL250004667060	0	37	0.0	-60.10	288.74	5.30	-54.80
CN1C=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL250004667061	0	38	0.0	-59.93	297.12	4.82	-55.11
CC(C1=CC=NC=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667062	0	40	0.0	-53.10	304.40	5.92	-47.18
CC(C1=CC=NC=C1)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667062	1	40	0.0	-53.10	304.34	5.92	-47.18
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCOCC1	REAL250004667063	0	44	0.0	-55.67	322.67	2.55	-53.12
C(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)N1CCOCC1	REAL250004667063	1	44	0.0	-55.65	322.61	2.54	-53.11
CC(C)(C)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667064	0	43	0.0	-51.62	311.53	6.56	-45.06
CC(C)(C)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667064	1	43	0.0	-51.60	311.47	6.54	-45.06
C[Si](C)(C)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667065	0	40	0.0	-53.19	301.98	7.85	-45.34
C[Si](C)(C)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667065	1	40	0.0	-53.22	301.92	7.84	-45.38
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCCCO2)CC1	REAL250004667066	0	42	0.0	-49.90	308.94	5.37	-44.53
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCCCO2)CC1	REAL250004667066	1	42	0.0	-49.88	308.88	5.36	-44.52
CC1CCC(O)(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL250004667068	0	48	0.0	-49.31	330.57	5.43	-43.88
CC1CCC(O)(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL250004667068	1	48	0.0	-49.29	330.50	5.42	-43.87
CC1(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)COC1	REAL250004667069	0	39	0.0	-54.33	286.90	4.02	-50.31
CC1(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)COC1	REAL250004667069	1	39	0.0	-54.34	286.84	4.01	-50.33
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCOC2)CC1	REAL250004667070	0	39	0.0	-56.59	289.47	4.18	-52.41
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCOC2)CC1	REAL250004667070	1	39	0.0	-56.56	289.41	4.16	-52.40
CC1=CC=CC(C)=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667072	0	44	0.0	-53.51	320.76	7.88	-45.63
CC1=CC=CC(C)=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667072	1	44	0.0	-53.47	320.70	7.87	-45.60
CC(C1=CC=CC=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667073	0	41	0.0	-51.38	308.66	7.71	-43.67
CC(C1=CC=CC=C1)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667073	1	41	0.0	-51.32	308.60	7.70	-43.62
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)OCC1CC1	REAL250004667074	0	42	0.0	-50.63	320.93	5.87	-44.76
COCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667075	0	41	0.0	-54.39	311.47	4.75	-49.64
COCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667075	1	41	0.0	-54.33	311.41	4.73	-49.60
CC(C(=O)OC(C)(C)C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667076	1	46	0.0	-48.11	340.96	6.84	-41.27
CC1=C(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)SC=N1	REAL250004667077	0	40	0.0	-58.60	320.18	5.66	-52.94
CC1=C(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)SC=N1	REAL250004667077	1	40	0.0	-58.57	320.12	5.65	-52.92
CCOC(=O)CCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667078	0	46	0.0	-58.65	355.12	7.41	-51.24
CCOC(=O)CCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667078	1	46	0.0	-58.58	355.06	7.39	-51.19
NS(=O)(=O)CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667079	0	39	0.0	-66.83	313.17	-0.11	-66.94
NS(=O)(=O)CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667079	1	39	0.0	-66.80	313.11	-0.12	-66.92
CCCC(C(=O)OCC)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667080	0	46	0.0	-54.72	341.68	6.91	-47.81
FC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1F	REAL250004667081	0	38	0.0	-63.38	306.36	7.18	-56.20
CCCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667082	0	43	0.0	-51.78	320.80	7.24	-44.54
CCCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667082	1	43	0.0	-51.80	320.73	7.22	-44.58
CCSCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667083	0	38	0.0	-53.04	301.00	6.24	-46.80
CCSCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667083	1	38	0.0	-53.02	300.94	6.23	-46.79
ClC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667084	1	37	0.0	-55.25	305.76	5.58	-49.67
O=C1C=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)OC=C1O	REAL250004667085	1	38	0.0	-76.65	307.13	3.19	-73.46
CCS(=O)(=O)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667086	1	40	0.0	-66.89	319.90	2.56	-64.33
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCOCC2)CC1	REAL250004667087	0	42	0.0	-54.99	306.48	5.09	-49.90
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCOCC2)CC1	REAL250004667087	1	42	0.0	-54.98	306.42	5.08	-49.90
C1=CC=C2C(=C1)CCCC2[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667088	0	45	0.0	-52.55	324.63	8.49	-44.06
C1=CC=C2C(=C1)CCCC2[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667088	1	45	0.0	-52.54	324.57	8.47	-44.07
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)OCC1CCCO1	REAL250004667089	0	46	0.0	-52.00	346.34	4.74	-47.26
OC1(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCCC1	REAL250004667091	0	42	0.0	-48.95	305.66	3.94	-45.01
OC1(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCCC1	REAL250004667091	1	42	0.0	-48.99	305.59	3.94	-45.05
ClC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=N1	REAL250004667092	1	37	0.0	-64.97	305.53	5.75	-59.22
N#CCSCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667093	0	39	0.0	-62.97	321.85	6.76	-56.21
N#CCSCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667093	1	39	0.0	-62.96	321.79	6.74	-56.22
ClC1=CN=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667094	1	37	0.0	-54.98	302.36	5.77	-49.21
OCCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667095	0	41	0.0	-54.60	310.72	3.11	-51.49
OCCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667095	1	41	0.0	-54.62	310.66	3.10	-51.52
CCC(C)(C)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667096	0	46	0.0	-51.84	325.75	7.06	-44.78
CCC(C)(C)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667096	1	46	0.0	-51.79	325.69	7.05	-44.74
CCOC(=O)C(CC)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667097	1	43	0.0	-54.04	320.18	6.14	-47.90
CSCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667098	0	38	0.0	-54.01	301.04	6.13	-47.88
CSCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667098	1	38	0.0	-53.96	300.97	6.12	-47.84
C(CN1CCOCC1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667099	0	47	0.0	-55.36	344.66	3.38	-51.98
C(CN1CCOCC1)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667099	1	47	0.0	-55.35	344.60	3.38	-51.97
CC1=NC(C)=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)S1	REAL250004667100	0	40	0.0	-56.64	314.09	5.25	-51.39
CC1=CC=CC(C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667102	0	44	0.0	-51.36	330.04	8.37	-42.99
CC1=CC=CC(C(C)[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004667102	1	44	0.0	-51.33	329.98	8.36	-42.97
COC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667104	0	41	0.0	-59.33	321.10	4.24	-55.09
OCCCCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667105	0	47	0.0	-54.38	353.72	4.69	-49.69
OCCCCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667105	1	47	0.0	-54.35	353.65	4.67	-49.68
CCOC(=O)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667106	0	40	0.0	-58.29	312.12	5.83	-52.46
CCOC(=O)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667106	1	40	0.0	-58.23	312.06	5.81	-52.42
CC(C)OC(=O)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667107	0	43	0.0	-57.94	332.37	6.52	-51.42
CC(C)OC(=O)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667107	1	43	0.0	-57.91	332.31	6.51	-51.40
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCCC1	REAL250004667108	0	44	0.0	-53.29	320.90	7.51	-45.78
C(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CCCC1	REAL250004667108	1	44	0.0	-53.30	320.83	7.51	-45.79
CCOCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667111	0	41	0.0	-53.05	311.83	4.93	-48.12
CCOCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667111	1	41	0.0	-53.02	311.76	4.92	-48.10
CC(C)N1CCC([NH+]2CCC(CC3=NN=N[N-]3)CC2)C1=O	REAL250004667112	0	45	0.0	-51.86	331.66	5.56	-46.30
CC(C)(C#N)CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667113	0	44	0.0	-64.13	332.32	6.99	-57.14
CC(C)(C#N)CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667113	1	44	0.0	-64.07	332.25	6.98	-57.09
COCCOCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667114	0	42	0.0	-51.95	322.89	3.55	-48.40
CC(C)(C#N)CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667115	0	44	0.0	-64.13	332.32	6.99	-57.14
CC(C)(C#N)CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667115	1	44	0.0	-64.07	332.25	6.98	-57.09
CN1C=NC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667116	0	38	0.0	-55.75	288.48	6.17	-49.58
CC1=CC=CC=C1CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667117	0	47	0.0	-56.80	353.07	9.18	-47.62
CC1=CC=CC=C1CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667117	1	47	0.0	-56.78	353.01	9.17	-47.61
CC(C)N(C)C(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667118	0	47	0.0	-49.23	343.73	5.57	-43.66
CCCCCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667119	0	49	0.0	-51.69	363.79	8.80	-42.89
CCCCCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667119	1	49	0.0	-51.66	363.73	8.78	-42.88
OCCCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667120	0	44	0.0	-54.79	332.22	3.91	-50.88
OCCCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667120	1	44	0.0	-54.76	332.15	3.89	-50.87
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COCCC(C)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667131	1	41	0.0	-50.46	299.97	4.30	-46.16
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CC(C)(C)OCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667146	0	47	0.0	-52.86	346.13	6.07	-46.79
CC(C)(C)OCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667146	1	47	0.0	-52.83	346.07	6.05	-46.78
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CC1CCN(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL250004667150	1	49	0.0	-51.93	352.86	5.65	-46.28
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CCCCCCC(O)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667263	1	50	0.0	-52.33	372.97	5.59	-46.74
CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1C	REAL250004667264	0	44	0.0	-54.43	332.07	8.27	-46.16
CC1=CC=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1C	REAL250004667264	1	44	0.0	-54.36	332.01	8.26	-46.10
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FC1=CC=CC=C1CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667265	1	41	0.0	-55.59	321.72	7.95	-47.64
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CC1=CC=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667267	0	40	0.0	-55.97	310.39	6.22	-49.75
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C(#CC1=CC=CC=C1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667269	0	40	0.0	-56.94	324.12	8.68	-48.26
NC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=N1	REAL250004667271	0	39	0.0	-59.13	303.83	4.05	-55.08
NC1=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=CC=N1	REAL250004667271	1	39	0.0	-59.11	303.76	4.04	-55.07
CC1COCCN1CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667272	0	47	0.0	-54.86	336.24	2.81	-52.05
CC1COCCN1CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667272	1	47	0.0	-54.82	336.17	2.81	-52.01
CC1=CN=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667273	0	40	0.0	-59.67	309.98	5.85	-53.82
CC1CN(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCO1	REAL250004667274	0	47	0.0	-55.62	343.85	3.30	-52.32
CC1CN(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCO1	REAL250004667274	1	47	0.0	-55.58	343.79	3.29	-52.29
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCCO1	REAL250004667275	0	42	0.0	-51.02	312.79	5.24	-45.78
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CC(C)(C)CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667276	0	46	0.0	-52.44	333.03	7.37	-45.07
CC(C)(C)CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667276	1	46	0.0	-52.41	332.97	7.36	-45.05
COC(C)(C)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667277	0	44	0.0	-51.15	319.58	4.96	-46.19
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CC(C1=CC=CC(C#N)=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667282	0	42	0.0	-58.26	329.43	8.10	-50.16
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CCN1C=C(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL250004667284	0	44	0.0	-59.17	340.55	6.56	-52.61
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CCC(CC(F)F)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667530	0	43	0.0	-54.85	318.02	6.98	-47.87
CCC(CC(F)F)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667530	1	43	0.0	-54.83	317.96	6.96	-47.87
C1=NC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)S1	REAL250004667531	0	34	0.0	-57.33	278.31	4.30	-53.03
CCC(CC)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667532	0	43	0.0	-50.25	309.89	6.86	-43.39
CCC(CC)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667532	1	43	0.0	-50.22	309.83	6.85	-43.37
CCC(C)(C)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667533	0	46	0.0	-51.84	325.75	7.06	-44.78
CCC(C)(C)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667533	1	46	0.0	-51.79	325.69	7.05	-44.74
N#CC1=CC=C(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL250004667534	0	42	0.0	-63.74	337.06	8.31	-55.43
N#CC1=CC=C(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL250004667534	1	42	0.0	-63.70	337.00	8.31	-55.39
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCC3CC3C2)CC1	REAL250004667535	0	45	0.0	-52.42	323.17	8.05	-44.37
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCC3CC3C2)CC1	REAL250004667535	1	45	0.0	-52.43	323.11	8.05	-44.38
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCCCO1	REAL250004667536	0	45	0.0	-53.65	330.35	6.00	-47.65
C(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CCCCO1	REAL250004667536	1	45	0.0	-53.57	330.29	6.00	-47.57
CC(C)(C)SCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667537	0	44	0.0	-52.95	335.87	7.36	-45.59
CC(C)(C)SCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667537	1	44	0.0	-52.98	335.81	7.35	-45.63
OC1(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCCOC1	REAL250004667538	0	43	0.0	-55.14	309.11	2.80	-52.34
OC1(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCCOC1	REAL250004667538	1	43	0.0	-55.11	309.05	2.79	-52.32
ClC(Cl)=CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667539	1	32	0.0	-53.71	278.58	5.80	-47.91
CC(C)C(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667540	0	41	0.0	-51.78	303.72	3.02	-48.76
CC(C)C(O)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667540	1	41	0.0	-51.77	303.66	3.00	-48.77
C(C1=NN=N[N-]1)C1CC[NH+](CC2COCOC2)CC1	REAL250004667541	0	40	0.0	-58.67	297.47	3.64	-55.03
C(C1=N[N-]N=N1)C1CC[NH+](CC2COCOC2)CC1	REAL250004667541	1	40	0.0	-58.65	297.41	3.62	-55.03
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CC1CCCCC1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667543	0	47	0.0	-51.21	332.38	7.93	-43.28
CC1CCCCC1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667543	1	47	0.0	-51.20	332.32	7.92	-43.28
C1=C2C=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CC2=NN1	REAL250004667544	0	41	0.0	-62.29	319.77	5.77	-56.52
C1=C2C=CC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)=CC2=NN1	REAL250004667544	1	41	0.0	-62.28	319.71	5.76	-56.52
OC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=N1	REAL250004667546	0	41	0.0	-52.41	317.61	3.15	-49.26
CC1=NC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N1	REAL250004667547	0	38	0.0	-56.53	295.89	4.73	-51.80
CC1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CN1	REAL250004667547	1	38	0.0	-52.33	295.66	4.37	-47.96
C1=NSC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667548	0	34	0.0	-58.67	278.72	4.88	-53.79
C1=CC=C(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C1	REAL250004667549	0	40	0.0	-54.33	310.42	6.13	-48.20
C1=CC=C(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)N=C1	REAL250004667549	1	40	0.0	-54.30	310.35	6.12	-48.18
CCOC(=O)C=CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667550	0	41	0.0	-58.66	325.84	6.44	-52.22
CCOC(=O)C=CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667550	1	41	0.0	-58.60	325.78	6.43	-52.17
O=S1(=O)CCCC1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667551	0	41	0.0	-59.66	315.68	3.12	-56.54
O=S1(=O)CCCC1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667551	1	41	0.0	-59.62	315.62	3.12	-56.50
CCN1CCC([NH+]2CCC(CC3=NN=N[N-]3)CC2)C1=O	REAL250004667552	0	42	0.0	-52.17	316.21	4.99	-47.18
FC1(F)CCCCC1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667553	0	44	0.0	-49.79	321.71	7.60	-42.19
FC1(F)CCCCC1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667553	1	44	0.0	-49.74	321.65	7.60	-42.14
C1=CC(C2CC2)=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667554	0	45	0.0	-55.20	342.96	9.15	-46.05
C1=CC(C2CC2)=CC=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667554	1	45	0.0	-55.18	342.90	9.14	-46.04
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COCC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)OC	REAL250004667556	1	42	0.0	-52.55	315.87	3.27	-49.28
COC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCCC1	REAL250004667557	0	48	0.0	-50.68	345.13	6.42	-44.26
COC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CCCC1	REAL250004667557	1	48	0.0	-50.65	345.07	6.42	-44.23
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CCCC(C)CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667561	0	49	0.0	-51.97	356.60	8.39	-43.58
CCCC(C)CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667561	1	49	0.0	-51.95	356.53	8.38	-43.57
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COC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCC1	REAL250004667564	0	45	0.0	-50.40	330.33	5.94	-44.46
COC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CCC1	REAL250004667564	1	45	0.0	-50.39	330.26	5.94	-44.45
CC1(C)CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL250004667565	0	44	0.0	-52.79	323.03	7.30	-45.49
CC1(C)CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL250004667565	1	44	0.0	-52.78	322.97	7.30	-45.48
CCOC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CC1	REAL250004667566	0	45	0.0	-50.06	335.40	6.60	-43.46
CCOC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CC1	REAL250004667566	1	45	0.0	-50.03	335.34	6.59	-43.44
ClC1=CN=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667567	1	37	0.0	-60.93	305.29	5.70	-55.23
CC1(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)COC1	REAL250004667568	0	39	0.0	-54.33	286.90	4.02	-50.31
CC1(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)COC1	REAL250004667568	1	39	0.0	-54.34	286.84	4.01	-50.33
CC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=NO1	REAL250004667569	1	37	0.0	-58.27	291.34	5.34	-52.93
CNC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667571	0	38	0.0	-50.73	290.19	2.23	-48.50
CC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=N1	REAL250004667572	0	40	0.0	-60.35	310.27	5.93	-54.42
CC1=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=CC=N1	REAL250004667572	1	40	0.0	-60.30	310.20	5.92	-54.38
NS(=O)(=O)CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667573	0	39	0.0	-66.83	313.17	-0.11	-66.94
NS(=O)(=O)CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667573	1	39	0.0	-66.80	313.11	-0.12	-66.92
CC1=NC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)O1	REAL250004667574	0	37	0.0	-59.62	292.35	2.74	-56.88
CC(C1=NC=CC=N1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667575	1	39	0.0	-46.26	301.75	4.61	-41.65
C(C1=NN=N[N-]1)C1CC[NH+](CC2CC3CC3C2)CC1	REAL250004667576	0	42	0.0	-54.15	307.51	7.44	-46.71
C(C1=N[N-]N=N1)C1CC[NH+](CC2CC3CC3C2)CC1	REAL250004667576	1	42	0.0	-54.16	307.44	7.43	-46.73
CC(Cl)=CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667577	0	35	0.0	-51.48	283.26	5.99	-45.49
ClC1=CC=CN=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667578	1	37	0.0	-46.82	303.87	5.95	-40.87
ClC1=CC=CN=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667579	1	37	0.0	-46.82	303.87	5.95	-40.87
CC(C)C1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667581	0	47	0.0	-54.49	353.89	8.98	-45.51
CC(C)C1=CC=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL250004667581	1	47	0.0	-54.49	353.83	8.97	-45.52
CC1(C)CCCCC1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667582	0	50	0.0	-52.69	342.13	8.06	-44.63
CC1(C)CCCCC1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667582	1	50	0.0	-52.64	342.07	8.05	-44.59
CNS(=O)(=O)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667583	0	39	0.0	-66.07	312.90	0.35	-65.72
CNS(=O)(=O)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667583	1	39	0.0	-66.04	312.84	0.34	-65.70
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O=C1C=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=CN1	REAL250004667584	1	38	0.0	-70.38	298.95	3.98	-66.40
C1=NSC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667585	0	34	0.0	-58.67	278.72	4.88	-53.79
C(C1=NN=N[N-]1)C1CC[NH+](CC2COCCO2)CC1	REAL250004667586	0	40	0.0	-53.71	299.66	3.41	-50.30
C(C1=N[N-]N=N1)C1CC[NH+](CC2COCCO2)CC1	REAL250004667586	1	40	0.0	-53.71	299.59	3.41	-50.30
OC1(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCOCC1	REAL250004667587	0	43	0.0	-53.97	308.43	2.59	-51.38
OC1(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCOCC1	REAL250004667587	1	43	0.0	-53.99	308.36	2.58	-51.41
OC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)CC1(O)CCC1	REAL250004667588	0	46	0.0	-55.22	342.80	2.54	-52.68
OC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)CC1(O)CCC1	REAL250004667588	1	46	0.0	-55.19	342.74	2.53	-52.66
C1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C(C2CC2)O1	REAL250004667589	1	41	0.0	-58.45	323.24	4.38	-54.07
CC(C)(C)CNC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667591	1	47	0.0	-53.67	351.01	4.93	-48.74
COC(=O)CCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667592	0	43	0.0	-58.91	333.26	6.49	-52.42
COC(=O)CCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667592	1	43	0.0	-58.88	333.20	6.47	-52.41
CC(C1=CC=C(F)N=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667593	0	40	0.0	-60.72	309.97	5.81	-54.91
ClC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=N1	REAL250004667594	1	36	0.0	-59.74	301.15	4.58	-55.16
FC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=N1	REAL250004667595	0	37	0.0	-66.53	295.08	5.27	-61.26
FC1(F)CCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL250004667596	0	41	0.0	-59.80	311.95	6.94	-52.86
FC1(F)CCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL250004667596	1	41	0.0	-59.79	311.89	6.93	-52.86
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)OC1CCOCC1	REAL250004667597	0	46	0.0	-53.46	342.36	4.56	-48.90
C(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)OC1CCOCC1	REAL250004667597	1	46	0.0	-53.43	342.30	4.55	-48.88
CC1=C(C)NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667598	1	41	0.0	-53.66	316.65	4.88	-48.78
CC1OCCC1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667599	0	42	0.0	-55.53	304.74	4.75	-50.78
CC1OCCC1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667599	1	42	0.0	-55.49	304.68	4.74	-50.75
CC1(C)COC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL250004667600	0	45	0.0	-49.97	331.22	5.63	-44.34
CC1(C)COC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL250004667600	1	45	0.0	-50.02	331.15	5.63	-44.39
CC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)CC(C)(C)C	REAL250004667601	0	49	0.0	-51.12	340.78	7.81	-43.31
CC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)CC(C)(C)C	REAL250004667601	1	49	0.0	-51.10	340.72	7.79	-43.31
CC1=NC=CN=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667602	0	39	0.0	-52.95	301.80	4.17	-48.78
C1=NN2C(=N1)CCC2C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667603	0	41	0.0	-60.72	313.30	6.71	-54.01
C1=NN2C(=N1)CCC2C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667603	1	41	0.0	-60.69	313.24	6.70	-53.99
CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1F	REAL250004667604	0	41	0.0	-59.96	320.37	7.77	-52.19
CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1C#N	REAL250004667605	0	42	0.0	-66.59	333.66	7.96	-58.63
N#CC1(CC(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL250004667606	0	43	0.0	-64.16	334.96	4.36	-59.80
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C=CC1(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCC1	REAL250004667911	0	42	0.0	-48.43	301.75	6.76	-41.67
C=CC1(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCC1	REAL250004667911	1	42	0.0	-48.44	301.69	6.75	-41.69
C1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=NC=N1	REAL250004667912	0	36	0.0	-56.52	284.16	5.03	-51.49
CC(C)(C)C1CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL250004667913	0	50	0.0	-53.30	356.65	8.44	-44.86
CC(C)(C)C1CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL250004667913	1	50	0.0	-53.29	356.59	8.44	-44.85
CC1(C)CC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CO1	REAL250004667914	0	48	0.0	-57.37	353.34	6.45	-50.92
CC1(C)CC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)CO1	REAL250004667914	1	48	0.0	-57.33	353.28	6.44	-50.89
CC(C)OCC(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667915	0	45	0.0	-54.24	342.03	2.68	-51.56
COC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL250004667916	0	41	0.0	-60.95	320.79	3.77	-57.18
COC1=CC=CN=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667917	0	41	0.0	-46.72	314.74	4.70	-42.02
CC1=CN=C(F)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL250004667918	1	40	0.0	-54.51	316.27	5.91	-48.60
CC1=CC(F)=NC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667919	0	40	0.0	-65.12	311.61	5.79	-59.33
CC1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C(C)O1	REAL250004667920	1	40	0.0	-54.09	306.74	2.91	-51.18
OC(CCC1CC1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667921	0	45	0.0	-52.97	340.09	4.85	-48.12
OC(CCC1CC1)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667921	1	45	0.0	-52.95	340.03	4.85	-48.10
C1=CSC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL250004667922	1	34	0.0	-56.05	279.43	4.45	-51.60
OCC1CCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)OC1	REAL250004667923	0	46	0.0	-52.53	336.27	2.68	-49.85
OCC1CCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)OC1	REAL250004667923	1	46	0.0	-52.47	336.21	2.67	-49.80
CC1(C)COCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)O1	REAL250004667924	0	46	0.0	-52.60	337.26	4.80	-47.80
CC1(C)COCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)O1	REAL250004667924	1	46	0.0	-52.62	337.20	4.80	-47.82
C1=CN(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C1	REAL250004667925	0	38	0.0	-55.93	297.23	5.11	-50.82
C1=CN(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)N=C1	REAL250004667925	1	38	0.0	-55.92	297.17	5.10	-50.82
O=C1OCCCC1[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667926	1	38	0.0	-57.25	282.10	4.99	-52.26
C(C1=NN=N[N-]1)C1CC[NH+](CC2(C3CCCO3)CC2)CC1	REAL250004667927	0	46	0.0	-52.17	331.28	6.52	-45.65
C(C1=N[N-]N=N1)C1CC[NH+](CC2(C3CCCO3)CC2)CC1	REAL250004667927	1	46	0.0	-52.20	331.22	6.52	-45.68
CCCCCSCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667928	0	47	0.0	-52.94	365.50	8.60	-44.34
CCCCCSCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667928	1	47	0.0	-52.97	365.44	8.58	-44.39
CCCC(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667929	0	41	0.0	-54.82	308.29	3.25	-51.57
CCCC(O)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667929	1	41	0.0	-54.79	308.23	3.23	-51.56
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCCOC1	REAL250004667930	0	45	0.0	-55.39	327.62	5.66	-49.73
C(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CCCOC1	REAL250004667930	1	45	0.0	-55.40	327.55	5.66	-49.74
CC1CCC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)O1	REAL250004667931	0	45	0.0	-52.89	333.51	5.96	-46.93
CC1CCC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)O1	REAL250004667931	1	45	0.0	-52.88	333.45	5.95	-46.93
CN1C=C(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=N1	REAL250004667932	0	40	0.0	-57.88	313.03	4.38	-53.50
CN1C=C(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)N=N1	REAL250004667932	1	40	0.0	-57.86	312.96	4.38	-53.48
CC1(C)CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=NO1	REAL250004667934	0	42	0.0	-62.92	320.07	5.48	-57.44
CCCC(C1=CC=CC=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667935	0	47	0.0	-51.45	348.78	9.05	-42.40
CCCC(C1=CC=CC=C1)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL250004667935	1	47	0.0	-51.41	348.71	9.05	-42.36
CC1=NC=CN=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL250004667936	0	39	0.0	-52.95	301.80	4.17	-48.78
C1=CCCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCC1	REAL250004667937	0	48	0.0	-52.65	333.77	8.31	-44.34
C1=CCCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCC1	REAL250004667937	1	48	0.0	-52.61	333.70	8.31	-44.30
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CC12CC2	REAL250004669475	0	40	0.0	-71.15	329.40	3.21	-67.94
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC12CC2	REAL250004669475	1	40	0.0	-71.09	329.45	3.21	-67.88
[NH3+]CCNCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669476	0	37	0.0	-75.67	314.70	-1.76	-77.43
[NH3+]CCNCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669476	1	37	0.0	-75.70	314.77	-1.77	-77.47
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL250004669477	0	39	0.0	-71.78	322.72	2.05	-69.73
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H](F)C[NH2+]1	REAL250004669478	0	36	0.0	-70.64	305.08	2.36	-68.28
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C[NH2+]C1	REAL250004669479	0	36	0.0	-68.41	300.31	1.75	-66.66
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]C1	REAL250004669479	1	36	0.0	-68.42	300.37	1.74	-66.68
[NH3+]CC1(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004669480	0	39	0.0	-74.60	324.52	2.13	-72.47
[NH3+]CC1(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004669480	1	39	0.0	-74.61	324.58	2.12	-72.49
[NH3+][C@H]1C[C@@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669481	0	36	0.0	-75.04	302.70	1.26	-73.78
[NH3+][C@H]1C[C@@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669481	1	36	0.0	-75.01	302.77	1.25	-73.76
N#CCCCC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669482	0	39	0.0	-83.10	336.82	2.11	-80.99
[NH3+][C@@H]1C[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669483	0	33	0.0	-75.88	286.75	0.80	-75.08
[NH3+][C@@H]1C[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669483	1	33	0.0	-75.80	286.81	0.79	-75.01
O=C(CC[NH2+]C1CC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669484	0	39	0.0	-69.14	329.81	3.51	-65.63
O=C(CC[NH2+]C1CC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669484	1	39	0.0	-69.18	329.87	3.50	-65.68
C[NH2+]C(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669485	0	35	0.0	-66.28	292.53	1.89	-64.39
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(O)C[NH2+]C1	REAL250004669486	0	34	0.0	-67.75	288.73	-1.82	-69.57
[NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669487	0	39	0.0	-70.09	314.53	2.16	-67.93
[NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669487	1	39	0.0	-70.04	314.59	2.15	-67.89
C[NH2+][C@@H](C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669488	0	35	0.0	-66.27	292.52	1.89	-64.38
O=C(C[C@H]1CC[NH2+]C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669489	0	39	0.0	-67.75	318.99	2.76	-64.99
O=C(C[C@H]1CC[NH2+]C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669489	1	39	0.0	-67.69	319.05	2.76	-64.93
CC(C)[NH2+]CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669490	0	38	0.0	-66.45	315.49	2.74	-63.71
CCC([NH2+]C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669491	0	38	0.0	-65.79	312.38	2.60	-63.19
C[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669493	0	35	0.0	-67.20	293.55	0.92	-66.28
C[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669493	1	35	0.0	-67.17	293.61	0.92	-66.25
[NH3+]C1CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669494	0	37	0.0	-79.85	312.26	1.85	-78.00
[NH3+]C1CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669494	1	37	0.0	-79.85	312.32	1.84	-78.01
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21	REAL250004669495	0	37	0.0	-66.65	308.18	3.02	-63.63
C[NH2+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004669496	0	39	0.0	-68.29	316.27	2.85	-65.44
[NH3+][C@H]1C[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669497	0	36	0.0	-74.57	302.15	1.23	-73.34
[NH3+][C@H]1C[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669497	1	36	0.0	-74.54	302.21	1.22	-73.32
[NH3+]C1(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004669498	0	36	0.0	-68.91	306.02	1.35	-67.56
[NH3+]C1(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004669498	1	36	0.0	-68.87	306.09	1.34	-67.53
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]21	REAL250004669499	0	40	0.0	-74.49	324.62	3.29	-71.20
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]21	REAL250004669499	1	40	0.0	-74.52	324.69	3.28	-71.24
[NH3+][C@@H]1CCO[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669500	0	37	0.0	-76.04	304.89	1.57	-74.47
[NH3+][C@@H]1CCO[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669500	1	37	0.0	-76.06	304.96	1.56	-74.50
[NH3+]CC(O)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669502	0	36	0.0	-78.06	306.75	-1.48	-79.54
[NH3+]CC(O)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669502	1	36	0.0	-78.02	306.82	-1.49	-79.51
CC[NH2+]C(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669503	0	38	0.0	-65.11	314.21	2.74	-62.37
[NH3+][C@H](CO)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669504	0	33	0.0	-68.74	286.67	-3.26	-72.00
C[NH2+]C1CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669505	0	39	0.0	-69.77	323.77	3.02	-66.75
C[NH2+]C1CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669505	1	39	0.0	-69.76	323.83	3.02	-66.74
[NH3+]C1CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669506	0	36	0.0	-75.06	302.77	1.27	-73.79
[NH3+]C1CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669506	1	36	0.0	-75.09	302.83	1.26	-73.83
C[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669507	0	35	0.0	-67.21	293.55	0.92	-66.29
C[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669507	1	35	0.0	-67.20	293.61	0.92	-66.28
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC(O)C1	REAL250004669508	0	37	0.0	-76.70	305.88	-0.47	-77.17
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1[C@H]2C[C@@H]1[NH2+]C2	REAL250004669510	0	37	0.0	-66.93	303.16	2.54	-64.39
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1[C@H]2C[C@@H]1[NH2+]C2	REAL250004669510	1	37	0.0	-66.94	303.23	2.54	-64.40
COCCC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669511	0	39	0.0	-74.42	328.14	-0.11	-74.53
CO[C@@H](C[NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669512	0	36	0.0	-77.97	308.45	0.27	-77.70
CO[C@@H](C[NH3+])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669512	1	36	0.0	-77.96	308.39	0.28	-77.68
[NH3+]CC12CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)C2	REAL250004669514	0	40	0.0	-80.47	334.81	2.59	-77.88
[NH3+]CC12CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)C2	REAL250004669514	1	40	0.0	-80.46	334.87	2.58	-77.88
[NH3+]C(CO)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669515	0	33	0.0	-68.72	286.67	-3.26	-71.98
CC(C)C[C@@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669516	0	41	0.0	-71.73	333.12	2.09	-69.64
[NH3+]CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=CO1	REAL250004669517	1	35	0.0	-73.92	308.83	-2.21	-76.13
[NH3+]C[C@@H]1C[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669518	0	36	0.0	-70.78	302.78	1.49	-69.29
[NH3+]C[C@@H]1C[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669518	1	36	0.0	-70.78	302.84	1.49	-69.29
[NH3+]C(CC1CC1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669520	0	39	0.0	-71.63	327.58	2.33	-69.30
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1[C@@H]2C[NH2+]CC[C@H]12	REAL250004669521	0	40	0.0	-74.72	325.57	3.64	-71.08
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1[C@@H]2C[NH2+]CC[C@H]12	REAL250004669521	1	40	0.0	-74.67	325.63	3.63	-71.04
[NH3+]C1CC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669522	0	39	0.0	-75.74	323.93	2.04	-73.70
[NH3+]C1CC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669522	1	39	0.0	-75.69	324.00	2.03	-73.66
C[NH2+]CCCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669523	0	41	0.0	-70.92	341.13	3.52	-67.40
C[NH2+]CCCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669523	1	41	0.0	-70.85	341.20	3.52	-67.33
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CCC[NH2+]CC1	REAL250004669525	0	40	0.0	-75.39	321.40	3.57	-71.82
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CCC[NH2+]CC1	REAL250004669525	1	40	0.0	-75.34	321.46	3.56	-71.78
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2	REAL250004669526	0	40	0.0	-70.63	317.74	2.97	-67.66
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2	REAL250004669526	1	40	0.0	-70.62	317.80	2.97	-67.65
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12C[C@H]1CCC[NH2+]2	REAL250004669527	0	40	0.0	-66.63	322.55	3.82	-62.81
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC(CC1)[NH2+]2	REAL250004669529	0	40	0.0	-64.25	320.46	3.07	-61.18
CC(C)(O)[C@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669530	0	39	0.0	-70.61	317.19	-1.23	-71.84
CC(C)(C[NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669531	0	41	0.0	-75.71	322.84	2.07	-73.64
CC(C)(C[NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669531	1	41	0.0	-75.69	322.90	2.06	-73.63
CCC[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669533	0	41	0.0	-67.89	333.49	2.49	-65.40
CCC[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669533	1	41	0.0	-67.87	333.56	2.48	-65.39
O=C(C[C@H]1CCC[NH2+]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669534	0	39	0.0	-63.01	319.03	3.16	-59.85
O=C(C[C@H]1CCC[NH2+]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669534	1	39	0.0	-62.96	319.09	3.16	-59.80
CCC[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669535	0	41	0.0	-67.87	333.49	2.49	-65.38
CCC[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669535	1	41	0.0	-67.86	333.56	2.48	-65.38
[NH3+][C@@H]1C[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)[C@H]2C[C@H]21	REAL250004669536	0	40	0.0	-77.90	329.79	2.56	-75.34
[NH3+][C@@H]1C[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)[C@H]2C[C@H]21	REAL250004669536	1	40	0.0	-77.93	329.86	2.56	-75.37
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC1CC[NH2+]2	REAL250004669537	0	40	0.0	-66.63	320.95	3.45	-63.18
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC(C[NH2+]1)C2	REAL250004669539	0	40	0.0	-66.95	323.46	3.22	-63.73
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C1)C[NH2+]2	REAL250004669540	0	37	0.0	-67.57	307.52	2.66	-64.91
C=CCCC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669541	0	39	0.0	-73.81	328.78	2.15	-71.66
CC[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669542	0	38	0.0	-67.07	312.00	1.73	-65.34
CC[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669542	1	38	0.0	-67.08	312.06	1.72	-65.36
CC[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669543	0	38	0.0	-67.09	312.00	1.73	-65.36
CC[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669543	1	38	0.0	-67.04	312.06	1.72	-65.32
[NH3+][C@H]1C=CC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669544	0	40	0.0	-73.14	325.46	2.18	-70.96
[NH3+][C@H]1C=CC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669544	1	40	0.0	-73.10	325.53	2.17	-70.93
COC[C@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669545	0	36	0.0	-68.36	308.92	-0.86	-69.22
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC[NH2+]CCC1	REAL250004669546	0	40	0.0	-73.57	321.36	3.42	-70.15
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC[NH2+]CCC1	REAL250004669546	1	40	0.0	-73.53	321.42	3.42	-70.11
CC(C)[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669547	0	41	0.0	-67.32	328.65	2.23	-65.09
CC(C)[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669547	1	41	0.0	-67.28	328.72	2.22	-65.06
CC(C)[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669548	0	41	0.0	-66.13	326.15	2.33	-63.80
CC(C)[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669548	1	41	0.0	-66.09	326.21	2.32	-63.77
CC1CC[NH2+]C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669550	0	39	0.0	-66.59	314.44	3.12	-63.47
NC(=O)C[C@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669551	1	36	0.0	-68.62	309.84	-3.01	-71.63
[NH3+][C@@H]1COC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669552	0	37	0.0	-73.50	305.66	-0.49	-73.99
[NH3+][C@@H]1COC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669552	1	37	0.0	-73.44	305.73	-0.49	-73.93
COC[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669553	0	39	0.0	-66.68	326.45	0.05	-66.63
COC[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669553	1	39	0.0	-66.63	326.51	0.04	-66.59
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2CCC[NH2+]C21	REAL250004669554	0	40	0.0	-70.92	326.24	3.58	-67.34
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2CCC[NH2+]C21	REAL250004669554	1	40	0.0	-70.90	326.30	3.58	-67.32
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004669555	0	36	0.0	-70.76	305.97	1.55	-69.21
CC(CC[NH3+])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669556	0	38	0.0	-75.23	314.07	1.38	-73.85
CC(CC[NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669556	1	38	0.0	-75.21	314.13	1.37	-73.84
C[NH2+][C@H](C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669557	0	35	0.0	-66.30	292.54	1.89	-64.41
C[NH2+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004669558	0	36	0.0	-68.78	304.58	2.45	-66.33
CCCC[C@@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669559	0	41	0.0	-72.33	337.47	2.37	-69.96
CC1(C([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004669561	0	39	0.0	-71.68	317.18	2.76	-68.92
[NH3+][C@@H]1CC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669562	0	39	0.0	-74.15	319.04	1.88	-72.27
[NH3+][C@@H]1CC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669562	1	39	0.0	-74.09	319.11	1.87	-72.22
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC[NH2+]C1	REAL250004669563	0	34	0.0	-75.48	292.30	1.94	-73.54
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CCC[NH2+]C1	REAL250004669564	0	37	0.0	-74.04	306.79	2.81	-71.23
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CCC[NH2+]C1	REAL250004669564	1	37	0.0	-74.02	306.85	2.80	-71.22
C=CCC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669565	0	36	0.0	-71.80	307.71	1.36	-70.44
C[C@@H](O)[C@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669566	0	36	0.0	-75.28	301.67	-2.17	-77.45
C[C@@H](O)[C@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669567	0	36	0.0	-75.28	301.67	-2.17	-77.45
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CCC[NH2+]C1	REAL250004669568	0	39	0.0	-70.22	316.56	2.81	-67.41
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CCC[NH2+]C1	REAL250004669568	1	39	0.0	-70.21	316.62	2.81	-67.40
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1[NH2+][C@H]2CC[C@@H]1C2	REAL250004669569	0	40	0.0	-65.64	318.07	3.19	-62.45
[NH3+]CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=CO1	REAL250004669570	1	36	0.0	-70.12	313.47	1.15	-68.97
[NH3+]CCSCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669571	0	36	0.0	-78.89	320.92	1.43	-77.46
[NH3+]CCSCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669571	1	36	0.0	-78.86	320.99	1.42	-77.44
[NH3+][C@H](CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004669572	0	39	0.0	-67.01	323.49	2.46	-64.55
[NH3+][C@H](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004669572	1	39	0.0	-66.98	323.55	2.46	-64.52
[NH3+][C@@H](CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004669573	0	39	0.0	-67.00	323.48	2.47	-64.53
[NH3+][C@@H](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004669573	1	39	0.0	-66.97	323.54	2.46	-64.51
[NH3+]CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)OC=C1	REAL250004669574	0	36	0.0	-68.86	312.68	1.13	-67.73
[NH3+]CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)OC=C1	REAL250004669574	1	36	0.0	-68.86	312.74	1.12	-67.74
CC(C)C(C)([NH3+])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669575	0	41	0.0	-71.43	322.12	2.06	-69.37
CC(C)C(C)([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669575	1	41	0.0	-71.46	322.18	2.06	-69.40
[NH3+]CCOCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669576	0	39	0.0	-73.18	331.15	0.25	-72.93
[NH3+]CCOCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669576	1	39	0.0	-73.14	331.21	0.24	-72.90
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CCC12CC2	REAL250004669577	0	40	0.0	-65.93	327.40	3.92	-62.01
CC(C)([NH3+])C=CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669579	0	39	0.0	-75.96	326.81	2.05	-73.91
CC(C)([NH3+])C=CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669579	1	39	0.0	-75.95	326.88	2.04	-73.91
[NH3+]CC1CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669580	0	39	0.0	-75.12	323.53	1.97	-73.15
[NH3+]CC1CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669580	1	39	0.0	-75.10	323.59	1.96	-73.14
[NH3+]CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004669581	0	39	0.0	-74.38	317.06	1.83	-72.55
[NH3+]CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004669581	1	39	0.0	-74.38	317.12	1.82	-72.56
CCC([NH3+])CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669582	0	41	0.0	-75.91	334.31	2.39	-73.52
CCC([NH3+])CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669582	1	41	0.0	-75.91	334.38	2.38	-73.53
[NH3+]C1(CCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004669583	0	39	0.0	-75.06	324.80	2.30	-72.76
[NH3+]C1(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004669583	1	39	0.0	-75.07	324.86	2.29	-72.78
CC[NH2+]CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669584	0	38	0.0	-70.09	319.82	2.79	-67.30
CC[NH2+]CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669584	1	38	0.0	-70.06	319.88	2.78	-67.28
CO[C@H](C)[C@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669585	0	39	0.0	-70.13	324.89	-0.01	-70.14
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL250004669586	0	37	0.0	-75.53	308.43	1.88	-73.65
[NH3+]CCC(F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669587	0	35	0.0	-77.24	304.17	0.89	-76.35
[NH3+]CCC(F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669587	1	35	0.0	-77.28	304.23	0.88	-76.40
C=CC[NH2+]CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669589	0	39	0.0	-70.53	332.62	3.35	-67.18
C=CC[NH2+]CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669589	1	39	0.0	-70.49	332.68	3.34	-67.15
[NH3+]CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004669591	1	35	0.0	-84.02	312.46	0.50	-83.52
[NH3+]C[C@@H]1CC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669592	0	39	0.0	-75.36	320.73	1.80	-73.56
[NH3+]C[C@@H]1CC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669592	1	39	0.0	-75.34	320.78	1.79	-73.55
[NH3+][C@H]1C[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669593	0	36	0.0	-74.57	302.15	1.23	-73.34
[NH3+][C@H]1C[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669593	1	36	0.0	-74.54	302.21	1.22	-73.32
[NH3+][C@@H]1C[C@@]2(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@@H]12	REAL250004669595	0	37	0.0	-76.15	315.03	1.96	-74.19
[NH3+][C@@H]1C[C@@]2(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]12	REAL250004669595	1	37	0.0	-76.13	315.10	1.95	-74.18
CCOCC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669596	0	39	0.0	-68.34	330.77	0.12	-68.22
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC([NH3+])C1	REAL250004669597	0	39	0.0	-74.81	320.44	1.77	-73.04
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC([NH3+])C1	REAL250004669597	1	39	0.0	-74.80	320.50	1.76	-73.04
[NH3+]C1CC2(C[C@@H]2C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669598	0	40	0.0	-74.23	331.76	2.70	-71.53
[NH3+]C1CC2(C[C@@H]2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669598	1	40	0.0	-74.17	331.82	2.69	-71.48
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1[NH2+]C[C@@H]2CC[C@@H]21	REAL250004669600	0	40	0.0	-66.62	320.95	3.24	-63.38
[NH3+]CC1=NNC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004669602	0	36	0.0	-75.92	315.58	-0.57	-76.49
CC12CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)[NH2+]C2	REAL250004669603	0	40	0.0	-67.22	329.28	3.16	-64.06
C[C@]12C[C@@]1(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)C[NH2+]C2	REAL250004669605	0	40	0.0	-75.05	327.72	3.34	-71.71
C[C@]12C[C@@]1(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)C[NH2+]C2	REAL250004669605	1	40	0.0	-75.07	327.78	3.34	-71.73
[NH3+][C@@H]1CCC[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669606	0	39	0.0	-71.88	318.91	1.85	-70.03
[NH3+][C@@H]1CCC[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669606	1	39	0.0	-71.89	318.97	1.85	-70.04
[NH3+][C@@H](CF)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669607	1	32	0.0	-71.24	281.78	0.17	-71.07
CC(C[NH3+])C(F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669608	0	38	0.0	-77.27	319.96	1.39	-75.88
CC(C[NH3+])C(F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669608	1	38	0.0	-77.24	320.03	1.38	-75.86
CC1(C)[C@H]([NH3+])[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669609	0	39	0.0	-69.37	316.58	2.29	-67.08
CC1(C)[C@H]([NH3+])[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669609	1	39	0.0	-69.44	316.65	2.28	-67.16
[NH3+]CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CC1	REAL250004669610	0	40	0.0	-76.63	327.17	2.40	-74.23
[NH3+]CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL250004669610	1	40	0.0	-76.59	327.24	2.39	-74.20
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]C12CC2	REAL250004669611	0	40	0.0	-67.28	329.29	3.27	-64.01
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]C12CC2	REAL250004669611	1	40	0.0	-67.27	329.36	3.26	-64.01
[NH3+][C@@H]1C[C@]2(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@H]12	REAL250004669612	0	37	0.0	-79.18	313.77	1.99	-77.19
[NH3+][C@@H]1C[C@]2(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@H]12	REAL250004669612	1	37	0.0	-79.22	313.83	1.98	-77.24
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C=CC[NH2+]C1	REAL250004669613	0	37	0.0	-71.28	308.35	2.72	-68.56
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C=CC[NH2+]C1	REAL250004669613	1	37	0.0	-71.23	308.41	2.72	-68.51
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1[NH2+][C@@H]2CC[C@H]1C2	REAL250004669614	0	40	0.0	-63.97	321.28	3.33	-60.64
CC1CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C[NH2+]1	REAL250004669615	0	39	0.0	-70.06	319.64	2.79	-67.27
CC1CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]1	REAL250004669615	1	39	0.0	-70.06	319.70	2.78	-67.28
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCOC1	REAL250004669616	0	37	0.0	-77.82	305.57	-0.58	-78.40
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CC12CC2	REAL250004669617	0	37	0.0	-75.91	303.39	3.11	-72.80
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC12CC2	REAL250004669617	1	37	0.0	-75.96	303.43	3.10	-72.86
CC1[NH2+]CCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669620	0	39	0.0	-73.96	306.56	3.36	-70.60
CC1[NH2+]CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669620	1	39	0.0	-74.02	306.60	3.37	-70.65
CC1CC[NH2+]C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669621	0	39	0.0	-70.13	312.69	3.51	-66.62
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CCC1[NH2+]C2	REAL250004669622	0	40	0.0	-61.77	307.96	3.93	-57.84
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CCC1[NH2+]C2	REAL250004669622	1	40	0.0	-61.77	308.00	3.92	-57.85
[NH3+]CCNCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669623	0	34	0.0	-80.25	288.58	-1.87	-82.12
[NH3+]CCNCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669623	1	34	0.0	-80.29	288.62	-1.88	-82.17
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL250004669624	0	36	0.0	-75.96	293.90	2.04	-73.92
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H](F)C[NH2+]1	REAL250004669625	0	33	0.0	-75.62	279.26	2.22	-73.40
CC(C)C(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)[NH3+]	REAL250004669626	0	41	0.0	-74.64	314.21	2.74	-71.90
CC(C)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)[NH3+]	REAL250004669626	1	41	0.0	-74.69	314.31	2.73	-71.96
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C[NH2+]C1	REAL250004669627	0	33	0.0	-73.24	274.67	1.62	-71.62
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]C1	REAL250004669627	1	33	0.0	-73.20	274.71	1.61	-71.59
[NH3+]CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004669628	0	36	0.0	-79.32	298.73	2.01	-77.31
[NH3+]CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004669628	1	36	0.0	-80.79	297.67	2.03	-78.76
[NH3+][C@H]1C[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669629	0	33	0.0	-79.92	276.61	1.15	-78.77
[NH3+][C@H]1C[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669629	1	33	0.0	-79.90	276.65	1.14	-78.76
N#CCCCC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669630	0	36	0.0	-88.22	310.96	1.98	-86.24
O=C(CC1CCC[NH2+]C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669631	0	39	0.0	-78.12	309.30	3.43	-74.69
O=C(CC1CCC[NH2+]C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669631	1	39	0.0	-78.13	309.35	3.42	-74.71
O=C(CC[NH2+]C1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669632	0	36	0.0	-75.40	303.95	3.38	-72.02
O=C(CC[NH2+]C1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669632	1	36	0.0	-75.49	303.72	3.38	-72.11
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC12CCC[NH2+]C2	REAL250004669633	0	40	0.0	-85.04	320.74	3.97	-81.07
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC12CCC[NH2+]C2	REAL250004669633	1	40	0.0	-85.03	320.78	3.96	-81.07
N#CCCCCC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669634	0	39	0.0	-91.16	332.46	2.76	-88.40
NC(=O)CC[C@@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669635	0	36	0.0	-89.57	306.30	-2.47	-92.04
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1([NH2+]C2CC2)CCC1	REAL250004669636	0	40	0.0	-73.17	323.02	4.62	-68.55
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(C2CC2)[NH2+]1	REAL250004669637	0	40	0.0	-67.37	324.77	4.30	-63.07
[NH3+][C@@H]1CCC[C@H]1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669638	0	39	0.0	-83.21	312.80	2.48	-80.73
[NH3+][C@@H]1CCC[C@H]1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669638	1	39	0.0	-83.28	312.84	2.47	-80.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(O)C[NH2+]C1	REAL250004669639	0	31	0.0	-74.64	264.42	-1.99	-76.63
O=C(C#CC1CC[NH2+]CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669640	0	38	0.0	-81.64	320.35	4.13	-77.51
O=C(C#CC1CC[NH2+]CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669640	1	38	0.0	-82.76	320.40	4.12	-78.64
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2C=CC1[NH2+]C2	REAL250004669641	0	38	0.0	-78.14	303.62	3.48	-74.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2C=CC1[NH2+]C2	REAL250004669641	1	38	0.0	-78.16	303.66	3.47	-74.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC[NH2+]CC1	REAL250004669642	0	39	0.0	-82.44	301.38	3.18	-79.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[NH2+]CC1	REAL250004669642	1	39	0.0	-82.83	301.68	3.16	-79.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CC12CCCC2	REAL250004669643	0	40	0.0	-70.71	315.14	3.57	-67.14
[NH3+][C@@H]1CCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669644	0	36	0.0	-74.17	288.65	1.99	-72.18
[NH3+][C@@H]1CCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669644	1	36	0.0	-74.21	288.70	1.99	-72.22
C[NH+](C)CCC(N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669645	0	40	0.0	-71.44	325.39	1.70	-69.74
C[NH+](C)CCC(N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669645	1	40	0.0	-71.48	325.43	1.70	-69.78
O=C(C[C@H]1CC[NH2+]C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669646	0	36	0.0	-77.02	293.09	2.75	-74.27
O=C(C[C@H]1CC[NH2+]C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669646	1	36	0.0	-77.09	293.13	2.74	-74.35
CC(C)[NH2+]CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669647	0	35	0.0	-71.95	289.35	2.61	-69.34
CCC([NH2+]C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669648	0	35	0.0	-70.42	286.65	2.47	-67.95
CN1CC[NH2+]CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669649	0	38	0.0	-82.35	304.32	0.30	-82.05
CN1CC[NH2+]CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669649	1	38	0.0	-82.38	304.36	0.29	-82.09
CC(C)CCC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669651	0	41	0.0	-77.45	329.17	2.76	-74.69
[NH3+]C1CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669652	0	34	0.0	-89.69	286.03	1.77	-87.92
[NH3+]C1CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669652	1	34	0.0	-89.71	286.07	1.76	-87.95
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21	REAL250004669653	0	34	0.0	-71.75	281.99	2.90	-68.85
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC[NH2+]C1	REAL250004669654	0	39	0.0	-73.39	301.17	3.26	-70.13
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC[NH2+]C1	REAL250004669654	1	39	0.0	-73.40	301.48	3.23	-70.17
CC(C)OC[C@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669655	1	39	0.0	-72.05	325.19	0.73	-71.32
[NH3+]CCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL250004669656	0	35	0.0	-87.56	308.63	-0.56	-88.12
[NH3+]CCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL250004669656	1	35	0.0	-87.45	308.59	-0.55	-88.00
C[NH2+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004669657	0	36	0.0	-76.26	290.98	2.67	-73.59
[NH3+]C(CC1=NNC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669658	0	36	0.0	-70.32	306.69	0.43	-69.89
[NH3+][C@H]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669659	0	33	0.0	-79.25	276.29	1.11	-78.14
[NH3+][C@H]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669659	1	33	0.0	-79.24	276.34	1.10	-78.14
[NH3+]C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004669660	0	33	0.0	-72.65	280.22	1.20	-71.45
[NH3+]C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004669660	1	33	0.0	-72.68	280.26	1.19	-71.49
O=C(C[C@@H]1CCC[NH2+]C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669661	0	39	0.0	-66.74	308.96	3.43	-63.31
O=C(C[C@@H]1CCC[NH2+]C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669661	1	39	0.0	-66.74	308.99	3.42	-63.32
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]21	REAL250004669662	0	37	0.0	-79.54	299.17	3.09	-76.45
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]21	REAL250004669662	1	37	0.0	-79.55	299.21	3.10	-76.45
[NH3+]C[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669663	0	37	0.0	-86.22	298.27	1.35	-84.87
[NH3+]C[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669663	1	37	0.0	-86.25	298.31	1.34	-84.91
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2(CCC2)C1	REAL250004669664	0	40	0.0	-83.30	318.36	3.19	-80.11
C=CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]1	REAL250004669665	0	40	0.0	-75.36	320.11	4.23	-71.13
[NH3+]CC1OCCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669666	0	37	0.0	-75.94	299.88	0.18	-75.76
[NH3+]CC1OCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669666	1	37	0.0	-75.97	299.92	0.17	-75.80
[NH3+][C@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004669667	0	39	0.0	-83.75	311.50	2.40	-81.35
[NH3+][C@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004669667	1	39	0.0	-83.75	311.55	2.39	-81.36
[NH3+][C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669668	0	34	0.0	-80.49	279.25	1.20	-79.29
[NH3+][C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669668	1	34	0.0	-80.49	279.29	1.20	-79.29
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)C1CC[NH2+]C1	REAL250004669670	0	36	0.0	-76.64	297.21	2.72	-73.92
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)C1CC[NH2+]C1	REAL250004669670	1	36	0.0	-76.66	297.26	2.70	-73.96
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]CCO1	REAL250004669671	0	37	0.0	-67.04	297.16	1.29	-65.75
C=C(Cl)CC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669672	0	33	0.0	-74.95	298.39	1.77	-73.18
[NH3+]CC(O)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669673	0	33	0.0	-83.60	280.92	-1.68	-85.28
[NH3+]CC(O)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669673	1	33	0.0	-83.65	280.96	-1.69	-85.34
CC[NH2+]C(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669674	0	35	0.0	-70.07	288.60	2.61	-67.46
O=C(C=CC1CCC[NH2+]C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669675	0	40	0.0	-78.80	326.45	4.08	-74.72
O=C(C=CC1CCC[NH2+]C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669675	1	40	0.0	-78.82	326.49	4.07	-74.75
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC(C[NH3+])=C1	REAL250004669676	1	36	0.0	-86.20	309.99	1.82	-84.38
[NH3+]CC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004669677	1	34	0.0	-80.37	297.73	0.14	-80.23
C[NH2+]C1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669678	0	36	0.0	-74.61	297.91	2.91	-71.70
C[NH2+]C1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669678	1	36	0.0	-74.42	297.68	2.91	-71.51
[NH3+][C@@H]1CCC[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669679	0	39	0.0	-71.42	304.99	2.22	-69.20
[NH3+][C@@H]1CCC[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669679	1	39	0.0	-71.39	305.03	2.21	-69.18
[NH3+]C1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669680	0	33	0.0	-79.27	276.28	1.11	-78.16
[NH3+]C1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669680	1	33	0.0	-79.13	276.04	1.11	-78.02
O=C(CC[NH2+]CC1CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669681	0	39	0.0	-77.66	325.66	4.21	-73.45
O=C(CC[NH2+]CC1CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669681	1	39	0.0	-77.70	325.70	4.21	-73.49
O=C(CCC12CC(C1)C[NH2+]2)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669682	0	40	0.0	-76.30	323.09	4.03	-72.27
O=C(CCC12CC(C1)C[NH2+]2)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669682	1	40	0.0	-76.31	323.14	4.03	-72.28
O=C(CN1CC[NH2+]CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669684	0	38	0.0	-74.02	305.05	0.61	-73.41
O=C(CN1CC[NH2+]CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669684	1	38	0.0	-74.05	305.10	0.60	-73.45
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(O)C1	REAL250004669685	0	34	0.0	-86.91	280.09	-0.70	-87.61
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1[C@H]2C[C@@H]1[NH2+]C2	REAL250004669687	0	34	0.0	-71.55	277.22	2.45	-69.10
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1[C@H]2C[C@@H]1[NH2+]C2	REAL250004669687	1	34	0.0	-71.69	276.51	2.47	-69.22
COCCC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669688	0	36	0.0	-78.91	302.28	-0.24	-79.15
CC1(C)C[NH2+]CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669689	0	39	0.0	-75.73	308.69	2.90	-72.83
CC1(C)C[NH2+]CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669689	1	39	0.0	-75.38	308.23	3.02	-72.36
CO[C@@H](C[NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669690	0	33	0.0	-87.31	282.11	0.07	-87.24
CO[C@@H](C[NH3+])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669690	1	33	0.0	-87.26	282.07	0.08	-87.18
C[NH2+][C@@H](CC(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669691	0	41	0.0	-70.80	320.79	4.05	-66.75
[NH3+]CC12CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)C2	REAL250004669694	0	37	0.0	-90.13	308.97	2.46	-87.67
[NH3+]CC12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)C2	REAL250004669694	1	37	0.0	-90.15	309.01	2.45	-87.70
CC1(C)C([NH3+])CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669695	0	39	0.0	-88.08	306.79	2.42	-85.66
CC1(C)C([NH3+])CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669695	1	39	0.0	-88.03	306.83	2.41	-85.62
[NH3+][C@H]1CC[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004669696	0	39	0.0	-73.08	304.50	2.23	-70.85
[NH3+][C@H]1CC[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004669696	1	39	0.0	-73.11	304.55	2.24	-70.87
[NH3+]C[C@@H]1[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1(F)F	REAL250004669697	0	33	0.0	-76.26	288.41	1.48	-74.78
[NH3+]C[C@@H]1[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1(F)F	REAL250004669697	1	33	0.0	-76.31	288.45	1.47	-74.84
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12CCC[C@@H]1[NH2+]CC2	REAL250004669698	0	40	0.0	-73.13	312.92	3.68	-69.45
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12CCC[C@@H]1[NH2+]CC2	REAL250004669698	1	40	0.0	-73.13	312.97	3.67	-69.46
CN1N=CC(C[NH3+])=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669699	0	36	0.0	-78.93	313.29	0.59	-78.34
CN1N=CC(C[NH3+])=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669699	1	36	0.0	-78.94	313.24	0.59	-78.35
CC=C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669700	0	40	0.0	-81.71	327.70	3.91	-77.80
CC=C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669700	1	40	0.0	-81.72	327.74	3.90	-77.82
CC(C)C[C@@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669701	0	38	0.0	-75.92	306.99	1.97	-73.95
[NH3+]CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=CO1	REAL250004669702	1	32	0.0	-72.42	282.98	-2.33	-74.75
[NH3+]C[C@@H]1C[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669703	0	33	0.0	-71.82	276.94	1.37	-70.45
[NH3+]C[C@@H]1C[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669703	1	33	0.0	-71.86	276.99	1.36	-70.50
[NH3+]C(CC1CC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669705	0	36	0.0	-76.57	299.76	2.26	-74.31
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1[C@@H]2C[NH2+]CC[C@H]12	REAL250004669706	0	37	0.0	-84.17	299.94	3.51	-80.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1[C@@H]2C[NH2+]CC[C@H]12	REAL250004669706	1	37	0.0	-84.17	299.99	3.50	-80.67
[NH3+]C1CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669707	0	36	0.0	-80.38	298.08	1.91	-78.47
[NH3+]C1CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669707	1	36	0.0	-80.56	297.85	1.91	-78.65
C[NH2+]CCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669709	0	38	0.0	-75.78	315.30	3.39	-72.39
C[NH2+]CCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669709	1	38	0.0	-75.84	315.34	3.39	-72.45
CSCC[C@@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669710	0	36	0.0	-80.93	313.35	1.92	-79.01
[NH3+]CC1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669712	0	36	0.0	-65.27	298.78	3.03	-62.24
[NH3+]CC1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669712	1	36	0.0	-65.28	298.81	3.04	-62.24
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(O)C[NH2+]1	REAL250004669713	0	37	0.0	-80.04	300.80	-0.53	-80.57
C[NH2+]CC(O)C(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669714	0	39	0.0	-77.87	318.53	0.92	-76.95
C[NH2+]CC(O)C(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669714	1	39	0.0	-77.87	318.58	0.91	-76.96
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CCC[NH2+]CC1	REAL250004669715	0	37	0.0	-84.84	295.58	3.45	-81.39
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CCC[NH2+]CC1	REAL250004669715	1	37	0.0	-84.92	295.62	3.45	-81.47
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2	REAL250004669716	0	37	0.0	-79.71	292.43	2.84	-76.87
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2	REAL250004669716	1	37	0.0	-79.72	292.46	2.84	-76.88
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12C[C@H]1CCC[NH2+]2	REAL250004669717	0	37	0.0	-76.16	296.69	3.65	-72.51
[NH3+]CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC(O)C1	REAL250004669719	0	37	0.0	-83.72	302.80	-1.61	-85.33
[NH3+]CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(O)C1	REAL250004669719	1	37	0.0	-83.69	302.84	-1.61	-85.30
[NH3+][C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669721	0	39	0.0	-77.89	311.05	2.37	-75.52
[NH3+][C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669721	1	39	0.0	-77.92	311.09	2.37	-75.55
C[C@@H]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]1	REAL250004669722	0	39	0.0	-78.20	311.67	3.45	-74.75
C[C@@H]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]1	REAL250004669722	1	39	0.0	-78.25	311.71	3.45	-74.80
C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669723	0	39	0.0	-70.86	313.56	3.30	-67.56
C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669723	1	39	0.0	-70.87	313.60	3.29	-67.58
[NH3+][C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669724	0	39	0.0	-72.69	300.18	2.43	-70.26
[NH3+][C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669724	1	39	0.0	-72.72	300.21	2.43	-70.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC(CC1)[NH2+]2	REAL250004669725	0	37	0.0	-72.88	296.66	3.01	-69.87
CC(C)(O)[C@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669726	0	36	0.0	-80.77	291.24	-1.28	-82.05
C=CCCCC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669727	0	39	0.0	-77.53	324.41	2.80	-74.73
CC(C)(C[NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669728	0	38	0.0	-81.18	297.00	1.94	-79.24
CC(C)(C[NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669728	1	38	0.0	-81.22	297.05	1.93	-79.29
CCC(C)CC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669730	0	41	0.0	-76.12	325.49	2.63	-73.49
CC(C)(C)C([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669731	0	41	0.0	-69.18	316.22	2.58	-66.60
CC(C)(C)C([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669731	1	41	0.0	-69.18	316.26	2.57	-66.61
CCC[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669732	0	38	0.0	-71.14	307.66	2.35	-68.79
CCC[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669732	1	38	0.0	-71.19	307.70	2.34	-68.85
O=C(C[C@H]1CCC[NH2+]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669733	0	36	0.0	-66.61	293.18	2.91	-63.70
O=C(C[C@H]1CCC[NH2+]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669733	1	36	0.0	-66.64	293.22	2.91	-63.73
CCC[C@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669734	0	38	0.0	-71.42	307.66	2.35	-69.07
CCC[C@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669734	1	38	0.0	-71.50	307.70	2.34	-69.16
[NH3+]C1CC2CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CC12	REAL250004669735	0	40	0.0	-80.27	313.15	3.00	-77.27
[NH3+]C1CC2CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CC12	REAL250004669735	1	40	0.0	-80.29	313.19	2.99	-77.30
O=C(C[C@@H]1CCCC[NH2+]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669736	0	39	0.0	-65.67	309.59	3.73	-61.94
O=C(C[C@@H]1CCCC[NH2+]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669736	1	39	0.0	-65.65	309.64	3.72	-61.93
[NH3+][C@@H]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)[C@H]2C[C@H]21	REAL250004669737	0	37	0.0	-86.67	303.81	2.44	-84.23
[NH3+][C@@H]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[C@H]2C[C@H]21	REAL250004669737	1	37	0.0	-86.66	303.85	2.43	-84.23
C[NH2+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL250004669738	0	39	0.0	-78.15	304.40	3.41	-74.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC1CC[NH2+]2	REAL250004669739	0	37	0.0	-75.11	295.22	3.34	-71.77
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC(C[NH2+]1)C2	REAL250004669741	0	37	0.0	-72.49	297.26	3.03	-69.46
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C1)C[NH2+]2	REAL250004669742	0	34	0.0	-76.21	281.72	2.54	-73.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC1C[NH2+]CCC2	REAL250004669743	0	40	0.0	-76.05	313.06	3.90	-72.15
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC1C[NH2+]CCC2	REAL250004669743	1	40	0.0	-76.09	313.10	3.89	-72.20
C=CCCC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669744	0	36	0.0	-78.20	302.92	2.02	-76.18
CCCC[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669745	0	41	0.0	-71.63	329.16	3.13	-68.50
CCCC[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669745	1	41	0.0	-71.70	329.20	3.12	-68.58
CCCC[C@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669746	0	41	0.0	-71.89	329.16	3.13	-68.76
CCCC[C@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669746	1	41	0.0	-71.95	329.21	3.12	-68.83
CC1(C)CC([NH3+])(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669747	0	39	0.0	-83.89	309.95	1.98	-81.91
CC[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669748	0	35	0.0	-70.29	286.16	1.59	-68.70
CC[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669748	1	35	0.0	-70.87	285.91	1.59	-69.28
CC[C@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669749	0	35	0.0	-70.56	286.16	1.59	-68.97
CC[C@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669749	1	35	0.0	-70.63	286.21	1.58	-69.05
[NH3+]CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL250004669751	0	37	0.0	-77.19	304.81	0.08	-77.11
[NH3+]CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL250004669751	1	37	0.0	-77.00	304.57	0.09	-76.91
CC(C)C[C@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669752	0	41	0.0	-71.99	324.81	2.86	-69.13
CC(C)C[C@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669752	1	41	0.0	-72.01	324.86	2.85	-69.16
CN1N=C(C[NH3+])C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669753	0	36	0.0	-82.81	308.11	0.59	-82.22
[NH3+][C@H]1C=CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669754	0	37	0.0	-78.07	299.58	2.05	-76.02
[NH3+][C@H]1C=CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669754	1	37	0.0	-78.12	299.63	2.04	-76.08
COC[C@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669755	1	33	0.0	-72.18	283.06	-0.99	-73.17
CC(C)C[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669756	0	41	0.0	-71.34	324.35	2.70	-68.64
CC(C)C[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669756	1	41	0.0	-71.35	324.39	2.69	-68.66
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC[NH2+]CCC1	REAL250004669757	0	37	0.0	-79.63	295.51	3.31	-76.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC[NH2+]CCC1	REAL250004669757	1	37	0.0	-79.69	295.56	3.31	-76.38
CC(C)(C)[C@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669758	0	41	0.0	-69.14	316.22	2.59	-66.55
CC(C)(C)[C@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669758	1	41	0.0	-69.18	316.27	2.58	-66.60
CC(C)[C@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669759	0	38	0.0	-69.14	299.90	2.20	-66.94
CC(C)[C@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669759	1	38	0.0	-69.15	299.95	2.19	-66.96
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(F)CCC[NH2+]C1	REAL250004669760	0	36	0.0	-71.72	295.70	2.73	-68.99
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(F)CCC[NH2+]C1	REAL250004669760	1	36	0.0	-71.74	295.74	2.72	-69.02
O=C(C[C@H]1CCCC[NH2+]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669761	0	39	0.0	-65.63	309.60	3.73	-61.90
O=C(C[C@H]1CCCC[NH2+]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669761	1	39	0.0	-65.64	309.65	3.72	-61.92
[NH3+][C@@H]1C[C@@H]2CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@H]12	REAL250004669762	0	40	0.0	-80.52	312.88	3.02	-77.50
[NH3+][C@@H]1C[C@@H]2CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@H]12	REAL250004669762	1	40	0.0	-80.48	312.92	3.01	-77.47
CC(C)[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669763	0	38	0.0	-68.94	300.31	2.19	-66.75
CC(C)[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669763	1	38	0.0	-69.49	300.06	2.19	-67.30
CC1CC[NH2+]C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669765	0	36	0.0	-71.91	288.44	2.88	-69.03
NC(=O)C[C@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669766	1	33	0.0	-72.01	283.98	-3.14	-75.15
CC1CCC([NH3+])(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669767	0	39	0.0	-86.02	310.37	2.51	-83.51
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOC1	REAL250004669768	0	37	0.0	-79.87	299.50	0.09	-79.78
CC[C@H](C)[C@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669769	0	41	0.0	-70.46	320.54	2.73	-67.73
CC[C@H](C)[C@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669769	1	41	0.0	-70.50	320.58	2.72	-67.78
COC(=O)C[C@@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669770	1	35	0.0	-72.94	301.77	0.74	-72.20
[NH3+][C@@H]1COC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669771	0	34	0.0	-77.52	279.07	-0.40	-77.92
[NH3+][C@@H]1COC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669771	1	34	0.0	-77.53	279.11	-0.41	-77.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2[NH2+]CCOC21	REAL250004669772	1	35	0.0	-75.83	291.60	1.04	-74.79
COC[C@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669773	0	36	0.0	-70.80	300.61	-0.09	-70.89
COC[C@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669773	1	36	0.0	-70.80	300.65	-0.10	-70.90
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C2CCC[NH2+]C21	REAL250004669774	0	37	0.0	-77.84	300.40	3.45	-74.39
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2CCC[NH2+]C21	REAL250004669774	1	37	0.0	-77.89	300.44	3.45	-74.44
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004669775	0	33	0.0	-75.79	276.39	1.62	-74.17
CC1CCCC1([NH3+])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669776	0	39	0.0	-85.15	304.13	2.51	-82.64
CC1CCCC1([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669776	1	39	0.0	-85.85	303.85	2.52	-83.33
C[C@@H]1C[NH2+]C[C@@]1(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669777	0	39	0.0	-79.54	307.20	2.93	-76.61
C[C@@H]1C[NH2+]C[C@@]1(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669777	1	39	0.0	-79.06	306.93	2.94	-76.12
CN1N=NC(C[NH3+])=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669778	1	35	0.0	-69.06	297.73	-0.64	-69.70
[NH3+]CC1=CN=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004669779	0	35	0.0	-83.13	302.41	1.12	-82.01
[NH3+]CC1=CN=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004669779	1	35	0.0	-83.11	302.37	1.12	-81.99
COC1CC([NH3+])(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669780	0	37	0.0	-88.91	305.49	0.24	-88.67
[NH3+]C1CCOC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669781	0	37	0.0	-90.88	303.70	1.12	-89.76
[NH3+]C1CCOC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669781	1	37	0.0	-90.90	303.74	1.11	-89.79
CC(CC[NH3+])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669782	0	35	0.0	-79.51	288.47	1.26	-78.25
CC(CC[NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669782	1	35	0.0	-79.52	288.52	1.25	-78.27
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CC12CCC2	REAL250004669783	0	40	0.0	-77.37	317.29	3.54	-73.83
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC12CCC2	REAL250004669783	1	40	0.0	-77.43	317.33	3.54	-73.89
O=C(CC[C@H]1CCC[NH2+]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669784	0	39	0.0	-78.32	315.94	3.78	-74.54
O=C(CC[C@H]1CCC[NH2+]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669784	1	39	0.0	-78.20	315.71	3.78	-74.42
C[NH2+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004669785	0	33	0.0	-76.65	278.60	2.30	-74.35
CCCC[C@@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669786	0	38	0.0	-76.89	311.61	2.24	-74.65
[NH3+][C@]1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[C@H](O)C1	REAL250004669789	0	37	0.0	-85.63	299.58	-1.51	-87.14
CC1(C([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004669790	0	36	0.0	-75.70	297.63	1.75	-73.95
[NH3+][C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669792	0	36	0.0	-78.83	293.86	1.76	-77.07
[NH3+][C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669792	1	36	0.0	-78.84	293.90	1.75	-77.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC[NH2+]C1	REAL250004669793	0	31	0.0	-84.72	266.35	1.81	-82.91
[NH3+]C(CN1C=NC=N1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669794	0	35	0.0	-75.78	302.33	2.73	-73.05
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CCC[NH2+]C1	REAL250004669795	0	34	0.0	-83.95	281.00	2.69	-81.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CCC[NH2+]C1	REAL250004669795	1	34	0.0	-84.00	281.04	2.67	-81.33
C=CCC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669796	0	33	0.0	-74.28	282.92	1.21	-73.07
C[C@@H](O)[C@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669797	0	33	0.0	-80.70	275.82	-2.29	-82.99
[NH3+]C1CC2CC1CC2C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669798	0	40	0.0	-62.42	304.01	3.09	-59.33
[NH3+]C1CC2CC1CC2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669798	1	40	0.0	-62.46	304.05	3.08	-59.38
C[C@@H](O)[C@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669799	0	33	0.0	-80.70	275.82	-2.29	-82.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CCC[NH2+]C1	REAL250004669800	0	36	0.0	-75.02	290.48	2.68	-72.34
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CCC[NH2+]C1	REAL250004669800	1	36	0.0	-75.03	290.53	2.67	-72.36
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1[NH2+][C@H]2CC[C@@H]1C2	REAL250004669801	0	37	0.0	-71.61	291.25	3.07	-68.54
CCC1CC[NH2+]C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669802	0	39	0.0	-72.50	308.49	3.60	-68.90
C=CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]C1	REAL250004669803	0	40	0.0	-75.15	317.20	4.02	-71.13
C=CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]C1	REAL250004669803	1	40	0.0	-75.13	317.26	4.01	-71.12
O=C(CO[C@@H]1CC[NH2+]C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669805	0	37	0.0	-76.54	308.66	2.40	-74.14
O=C(CO[C@@H]1CC[NH2+]C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669805	1	37	0.0	-76.60	308.71	2.39	-74.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[NH2+]C[C@H]1C1CC1	REAL250004669806	0	40	0.0	-84.27	321.91	3.95	-80.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[NH2+]C[C@H]1C1CC1	REAL250004669806	1	40	0.0	-84.27	321.95	3.94	-80.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C[NH2+]1)CCC2	REAL250004669807	0	40	0.0	-74.02	308.58	3.72	-70.30
[NH3+]CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CO1	REAL250004669808	1	33	0.0	-69.96	287.64	1.04	-68.92
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@@H]2CCC[C@@H]2[NH2+]1	REAL250004669809	0	40	0.0	-70.18	315.83	3.90	-66.28
CC1C[NH2+]CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669810	0	39	0.0	-75.65	305.45	3.28	-72.37
CC1C[NH2+]CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669810	1	39	0.0	-75.73	305.50	3.28	-72.45
O=C(C[C@@H]1CC2(CC2)C[NH2+]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669811	0	40	0.0	-66.51	324.86	4.27	-62.24
O=C(C[C@@H]1CC2(CC2)C[NH2+]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669811	1	40	0.0	-66.53	324.91	4.27	-62.26
CO[C@H]1C[C@]([NH3+])(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669813	0	37	0.0	-84.08	305.03	0.21	-83.87
C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669814	0	39	0.0	-65.46	301.05	3.54	-61.92
C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669814	1	39	0.0	-65.52	301.09	3.53	-61.99
C[C@H]1C[NH2+]C[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669815	0	39	0.0	-84.11	311.31	3.32	-80.79
C[C@H]1C[NH2+]C[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669815	1	39	0.0	-84.15	311.35	3.32	-80.83
[NH3+]CCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669816	0	33	0.0	-84.21	294.80	1.31	-82.90
[NH3+]CCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669816	1	33	0.0	-84.24	294.84	1.30	-82.94
[NH3+][C@H](CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004669817	0	36	0.0	-70.31	297.66	2.33	-67.98
[NH3+][C@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004669817	1	36	0.0	-70.29	297.70	2.32	-67.97
[NH3+][C@@H](CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004669818	0	36	0.0	-69.98	297.65	2.33	-67.65
[NH3+][C@@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004669818	1	36	0.0	-70.02	297.69	2.32	-67.70
O=C(C[C@@H]1C[C@H](F)C[NH2+]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669819	0	36	0.0	-68.91	299.53	2.97	-65.94
C[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C[NH2+]1	REAL250004669820	0	39	0.0	-75.71	305.12	3.38	-72.33
C[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]1	REAL250004669820	1	39	0.0	-74.65	304.90	3.41	-71.24
[NH3+]CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC=C1	REAL250004669821	0	33	0.0	-67.71	286.85	1.01	-66.70
[NH3+]CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)OC=C1	REAL250004669821	1	33	0.0	-67.67	286.80	1.01	-66.66
CC(C)C(C)([NH3+])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669822	0	38	0.0	-81.59	295.80	1.95	-79.64
CC(C)C(C)([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669822	1	38	0.0	-81.59	295.85	1.96	-79.63
CC1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[NH2+]C1	REAL250004669823	0	39	0.0	-69.79	312.97	3.47	-66.32
CC([NH3+])C1=NOC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669824	0	35	0.0	-70.63	303.53	0.94	-69.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CCC2)C[NH2+]1	REAL250004669825	0	40	0.0	-70.57	320.38	3.88	-66.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(CF)CC[NH2+]C1	REAL250004669826	0	36	0.0	-74.15	295.22	2.73	-71.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(CF)CC[NH2+]C1	REAL250004669826	1	36	0.0	-74.18	295.27	2.74	-71.44
C[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[NH2+]C1	REAL250004669827	0	39	0.0	-73.85	303.98	3.31	-70.54
[NH3+]CCOCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669828	0	36	0.0	-78.01	305.03	0.13	-77.88
[NH3+]CCOCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669828	1	36	0.0	-77.98	305.07	0.12	-77.86
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CCC12CC2	REAL250004669829	0	37	0.0	-70.22	301.36	3.65	-66.57
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21	REAL250004669830	0	40	0.0	-72.62	311.52	3.64	-68.98
O=C(C[C@@H]1C[NH2+]C[C@H]1O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669831	0	37	0.0	-76.53	304.34	-0.71	-77.24
O=C(C[C@@H]1C[NH2+]C[C@H]1O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669831	1	37	0.0	-76.57	304.38	-0.73	-77.30
[NH3+]C[C@@H]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL250004669832	0	37	0.0	-76.45	305.85	0.15	-76.30
[NH3+]C[C@@H]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL250004669832	1	37	0.0	-76.48	305.89	0.14	-76.34
O=C(CO[C@H]1CC[NH2+]C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669834	0	37	0.0	-76.57	308.91	2.42	-74.15
O=C(CO[C@H]1CC[NH2+]C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669834	1	37	0.0	-76.63	308.96	2.41	-74.22
CC(C)([NH3+])C=CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669835	0	36	0.0	-84.48	300.96	1.93	-82.55
CC(C)([NH3+])C=CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669835	1	36	0.0	-84.44	301.00	1.93	-82.51
[NH3+][C@H]1C[C@@H](CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669836	0	39	0.0	-78.66	319.91	2.70	-75.96
[NH3+][C@H]1C[C@@H](CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669836	1	39	0.0	-78.70	319.95	2.69	-76.01
[NH3+]CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669837	0	36	0.0	-79.22	297.68	1.85	-77.37
[NH3+]CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669837	1	36	0.0	-78.82	297.44	1.85	-76.97
[NH3+]CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004669838	0	36	0.0	-82.64	291.02	1.83	-80.81
[NH3+]CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004669838	1	36	0.0	-82.72	291.02	1.82	-80.90
[NH3+]CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC12CCC2	REAL250004669840	0	40	0.0	-77.51	329.27	3.12	-74.39
[NH3+]CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC12CCC2	REAL250004669840	1	40	0.0	-77.58	329.29	3.12	-74.46
C[C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[NH2+]1	REAL250004669841	0	39	0.0	-67.13	311.60	3.70	-63.43
[NH3+][C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669842	0	40	0.0	-79.97	306.86	3.58	-76.39
[NH3+][C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669842	1	40	0.0	-79.98	306.90	3.57	-76.41
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC1CC[NH2+]CC2	REAL250004669843	0	40	0.0	-80.31	313.04	3.99	-76.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC1CC[NH2+]CC2	REAL250004669843	1	40	0.0	-80.34	313.08	3.98	-76.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(C1)CCC[NH2+]2	REAL250004669844	0	40	0.0	-74.15	314.54	3.68	-70.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C1)CCC[NH2+]2	REAL250004669844	1	40	0.0	-74.14	314.58	3.67	-70.47
CCC([NH3+])CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669845	0	38	0.0	-83.53	308.19	2.27	-81.26
CCC([NH3+])CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669845	1	38	0.0	-83.53	308.23	2.26	-81.27
[NH3+]C1(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004669846	0	36	0.0	-83.27	298.97	2.17	-81.10
[NH3+]C1(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004669846	1	36	0.0	-83.30	299.00	2.16	-81.14
CC[NH2+]CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669847	0	35	0.0	-76.08	293.99	2.66	-73.42
CC[NH2+]CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669847	1	35	0.0	-76.14	294.03	2.65	-73.49
[NH3+]C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC2CC21	REAL250004669848	0	40	0.0	-84.47	313.24	2.97	-81.50
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC2CC21	REAL250004669848	1	40	0.0	-84.48	313.28	2.96	-81.52
[NH3+][C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669849	0	39	0.0	-77.89	311.05	2.37	-75.52
[NH3+][C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669849	1	39	0.0	-77.92	311.09	2.37	-75.55
O=C(C[C@H]1CCC[NH2+]C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669850	0	39	0.0	-66.71	308.95	3.44	-63.27
O=C(C[C@H]1CCC[NH2+]C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669850	1	39	0.0	-66.74	308.99	3.43	-63.31
CO[C@H](C)[C@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669851	0	36	0.0	-75.71	299.03	-0.13	-75.84
CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]C1	REAL250004669852	0	39	0.0	-76.20	310.08	3.25	-72.95
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]C1	REAL250004669852	1	39	0.0	-76.23	310.12	3.25	-72.98
CC1(C)C[NH2+][C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669853	0	39	0.0	-70.78	313.64	3.17	-67.61
CC1(C)C[NH2+]C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669854	0	39	0.0	-70.24	314.09	3.23	-67.01
[NH3+]CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL250004669855	0	37	0.0	-76.50	300.45	0.66	-75.84
[NH3+]CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL250004669855	1	37	0.0	-76.46	300.50	0.65	-75.81
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL250004669856	0	34	0.0	-86.05	282.40	1.77	-84.28
CC(C)C(CC[NH3+])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669857	0	41	0.0	-83.48	321.77	2.28	-81.20
CC(C)C(CC[NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669857	1	41	0.0	-83.56	321.81	2.28	-81.28
[NH3+]CCC(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669858	0	32	0.0	-81.39	278.37	0.76	-80.63
[NH3+]CCC(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669858	1	32	0.0	-81.39	278.41	0.75	-80.64
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1	REAL250004669859	0	39	0.0	-77.64	310.63	2.74	-74.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CCC12CCC2	REAL250004669861	0	40	0.0	-71.35	315.66	3.79	-67.56
C[C@@]1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[C@@H]([NH3+])C1	REAL250004669862	0	39	0.0	-76.24	311.31	2.27	-73.97
C[C@@]1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[C@@H]([NH3+])C1	REAL250004669862	1	39	0.0	-76.29	311.35	2.26	-74.03
CCOCCC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669863	0	39	0.0	-79.01	324.13	0.72	-78.29
CC1(C)C[NH2+][C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669864	0	39	0.0	-70.06	314.17	3.21	-66.85
C=CC[NH2+]CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669865	0	36	0.0	-76.45	306.78	3.22	-73.23
C=CC[NH2+]CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669865	1	36	0.0	-76.45	306.83	3.21	-73.24
CC(C)(C)CC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669866	0	41	0.0	-74.29	318.43	2.73	-71.56
[NH3+][C@H]1CCC[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669867	0	39	0.0	-77.91	311.02	2.37	-75.54
[NH3+][C@H]1CCC[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669867	1	39	0.0	-77.92	311.07	2.37	-75.55
[NH3+]CC1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004669870	0	35	0.0	-84.28	304.62	1.20	-83.08
[NH3+]CC1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004669870	1	35	0.0	-84.33	304.67	1.19	-83.14
[NH3+]CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004669871	1	32	0.0	-86.20	286.59	0.37	-85.83
[NH3+]C[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669872	0	36	0.0	-74.52	291.77	1.73	-72.79
[NH3+]C[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669872	1	36	0.0	-80.64	294.65	1.68	-78.96
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CC2)CC[NH2+]C1	REAL250004669873	0	40	0.0	-78.57	316.65	4.37	-74.20
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CC2)CC[NH2+]C1	REAL250004669873	1	40	0.0	-78.66	316.67	4.37	-74.29
[NH3+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669874	0	40	0.0	-64.07	303.90	3.10	-60.97
[NH3+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669874	1	40	0.0	-62.71	303.67	3.11	-59.60
[NH3+][C@H]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669875	0	33	0.0	-79.25	276.29	1.11	-78.14
[NH3+][C@H]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669875	1	33	0.0	-79.24	276.34	1.10	-78.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CCC1C1CC1	REAL250004669876	0	40	0.0	-73.54	320.68	4.08	-69.46
CSC(C)C([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669877	0	36	0.0	-70.58	305.46	2.13	-68.45
[NH3+][C@@H]1C[C@@]2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@@H]12	REAL250004669879	0	34	0.0	-80.21	289.16	1.84	-78.37
[NH3+][C@@H]1C[C@@]2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]12	REAL250004669879	1	34	0.0	-80.25	289.20	1.82	-78.43
CCOCC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669880	1	36	0.0	-72.13	304.91	-0.01	-72.14
CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]C1	REAL250004669881	0	39	0.0	-70.71	307.66	3.08	-67.63
CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]C1	REAL250004669881	1	39	0.0	-70.35	307.43	3.08	-67.27
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC([NH3+])C1	REAL250004669882	0	36	0.0	-80.09	294.30	1.64	-78.45
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC([NH3+])C1	REAL250004669882	1	36	0.0	-80.15	294.34	1.64	-78.51
[NH3+]C1CC2(C[C@@H]2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669883	0	37	0.0	-75.66	305.95	2.56	-73.10
[NH3+]C1CC2(C[C@@H]2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669883	1	37	0.0	-75.70	305.99	2.55	-73.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]C12CCC2	REAL250004669884	0	40	0.0	-72.89	313.68	3.70	-69.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]C12CCC2	REAL250004669884	1	40	0.0	-72.90	313.73	3.69	-69.21
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1[NH2+]C[C@@H]2CC[C@@H]21	REAL250004669885	0	37	0.0	-72.27	294.56	3.10	-69.17
N#CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]C1	REAL250004669886	1	37	0.0	-75.53	306.16	2.66	-72.87
N#CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]C1	REAL250004669886	1	37	0.0	-75.56	306.21	2.65	-72.91
C[C@@H]1C[NH2+]C[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004669888	0	37	0.0	-78.66	297.18	1.99	-76.67
[NH3+]CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1	REAL250004669889	0	33	0.0	-87.76	290.67	-0.70	-88.46
[NH3+]CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL250004669889	1	33	0.0	-87.77	290.71	-0.72	-88.49
O=C(CC1CCCC[NH2+]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669890	0	39	0.0	-65.21	309.32	3.74	-61.47
O=C(CC1CCCC[NH2+]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669890	1	39	0.0	-65.21	309.36	3.73	-61.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1	REAL250004669891	0	40	0.0	-75.83	315.47	3.57	-72.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1	REAL250004669891	1	40	0.0	-75.92	315.51	3.57	-72.35
CC12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)[NH2+]C2	REAL250004669892	0	37	0.0	-73.80	305.20	2.82	-70.98
C[C@]12C[C@@]1(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C[NH2+]C2	REAL250004669894	0	37	0.0	-83.84	302.28	3.22	-80.62
C[C@]12C[C@@]1(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C[NH2+]C2	REAL250004669894	1	37	0.0	-83.87	302.32	3.22	-80.65
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC[NH2+]C1	REAL250004669895	0	40	0.0	-69.08	320.89	3.61	-65.47
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC[NH2+]C1	REAL250004669895	1	40	0.0	-69.11	320.93	3.60	-65.51
CCSC[C@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669896	0	36	0.0	-71.58	314.02	2.04	-69.54
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCC[NH2+]2)CC1	REAL250004669897	0	40	0.0	-65.08	316.37	4.00	-61.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCC[NH2+]2)CC1	REAL250004669897	1	40	0.0	-65.12	316.43	3.99	-61.13
[NH3+][C@@H]1COCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669898	0	37	0.0	-73.60	291.44	0.13	-73.47
[NH3+][C@@H]1COCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669898	1	37	0.0	-73.60	291.49	0.13	-73.47
[NH3+][C@@H]1CCC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669899	0	36	0.0	-75.83	293.11	1.72	-74.11
[NH3+][C@@H]1CCC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669899	1	36	0.0	-75.85	293.15	1.72	-74.13
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC=CCC1	REAL250004669900	0	40	0.0	-79.27	317.66	3.14	-76.13
[NH3+]C12CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)OC2	REAL250004669901	0	35	0.0	-82.55	294.76	-0.43	-82.98
[NH3+]C12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)OC2	REAL250004669901	1	35	0.0	-82.54	294.80	-0.43	-82.97
[NH3+][C@@H](CC1=CN=CN1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669902	0	36	0.0	-78.84	307.39	1.14	-77.70
[NH3+][C@@H](CC1=CNC=N1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669902	1	36	0.0	-71.41	308.98	1.17	-70.24
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(C1)CC[NH2+]C2	REAL250004669904	0	40	0.0	-71.65	314.36	3.66	-67.99
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C1)CC[NH2+]C2	REAL250004669904	1	40	0.0	-71.68	314.41	3.66	-68.02
[NH3+][C@@H](CF)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669905	1	29	0.0	-75.53	255.93	0.04	-75.49
CC(C[NH3+])C(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669906	0	35	0.0	-81.29	293.17	1.30	-79.99
CC(C[NH3+])C(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669906	1	35	0.0	-80.85	293.54	1.29	-79.56
[NH3+]CCC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL250004669907	0	35	0.0	-85.59	308.05	1.15	-84.44
[NH3+]CCC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL250004669907	1	35	0.0	-85.57	308.10	1.14	-84.43
CC1(C)[C@H]([NH3+])[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669908	0	36	0.0	-71.72	290.50	2.17	-69.55
CC1(C)[C@H]([NH3+])[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669908	1	36	0.0	-71.74	290.54	2.16	-69.58
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC2=C1C[NH2+]C2	REAL250004669909	1	34	0.0	-79.39	293.99	2.31	-77.08
[NH3+]C1CCCC2C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C21	REAL250004669910	0	40	0.0	-78.18	320.54	3.02	-75.16
[NH3+]C1CCCC2C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C21	REAL250004669910	1	40	0.0	-78.23	320.59	3.01	-75.22
CC1(C)[NH2+]CCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004669911	0	39	0.0	-72.36	307.90	3.22	-69.14
CC1(C)[NH2+]CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004669911	1	39	0.0	-72.42	307.95	3.21	-69.21
[NH3+]CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004669912	0	39	0.0	-81.78	313.16	2.26	-79.52
[NH3+]CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004669912	1	39	0.0	-81.76	313.22	2.25	-79.51
[NH3+]CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CC1	REAL250004669913	0	37	0.0	-81.49	301.49	2.25	-79.24
[NH3+]CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL250004669913	1	37	0.0	-81.45	301.53	2.25	-79.20
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CC1C[NH2+]C2	REAL250004669914	0	40	0.0	-63.70	298.26	4.18	-59.52
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CC1C[NH2+]C2	REAL250004669914	1	40	0.0	-63.67	298.31	4.17	-59.50
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]C12CC2	REAL250004669915	0	37	0.0	-72.38	302.68	3.22	-69.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]C12CC2	REAL250004669915	1	37	0.0	-72.22	303.03	3.19	-69.03
[NH3+]C[C@@]1(F)C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669916	0	36	0.0	-83.74	300.10	1.91	-81.83
[NH3+]C[C@@]1(F)C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669916	1	36	0.0	-83.78	300.14	1.90	-81.88
[NH3+]C[C@@]1(F)C[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004669917	0	36	0.0	-80.35	303.69	1.93	-78.42
[NH3+]C[C@@]1(F)C[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669917	1	36	0.0	-79.96	303.44	1.93	-78.03
[NH3+][C@@H]1C[C@]2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@H]12	REAL250004669918	0	34	0.0	-87.08	287.92	1.87	-85.21
[NH3+][C@@H]1C[C@]2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@H]12	REAL250004669918	1	34	0.0	-87.11	287.97	1.85	-85.26
[NH3+][C@@H]1C[C@@H]2CC[C@@]1(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL250004669919	0	40	0.0	-69.95	313.34	2.82	-67.13
[NH3+][C@@H]1C[C@@H]2CC[C@@]1(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL250004669919	1	40	0.0	-70.04	313.38	2.82	-67.22
CC[C@H]1C[NH2+][C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004669920	0	39	0.0	-70.98	314.28	3.40	-67.58
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C=CC[NH2+]C1	REAL250004669921	0	34	0.0	-75.65	282.94	2.59	-73.06
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C=CC[NH2+]C1	REAL250004669921	1	34	0.0	-75.69	282.98	2.58	-73.11
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(F)(F)C1	REAL250004669922	0	33	0.0	-83.38	283.30	1.52	-81.86
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1[NH2+][C@@H]2CC[C@H]1C2	REAL250004669924	0	37	0.0	-68.22	295.28	3.20	-65.02
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CC2C1	REAL250004669925	0	40	0.0	-78.72	320.85	3.40	-75.32
[NH3+]CCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL250004669926	0	36	0.0	-86.10	312.54	0.88	-85.22
[NH3+]CCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL250004669926	1	36	0.0	-86.06	312.50	0.89	-85.17
CC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C[NH2+]1	REAL250004669927	0	36	0.0	-80.35	294.07	2.63	-77.72
CC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]1	REAL250004669927	1	36	0.0	-80.35	294.12	2.63	-77.72
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOC1	REAL250004669928	0	34	0.0	-86.73	279.96	-0.74	-87.47
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CC[NH2+]C1	REAL250004669929	0	33	0.0	-69.46	264.61	4.42	-65.04
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CC[NH2+]C1	REAL250004669929	1	33	0.0	-69.33	264.70	4.40	-64.93
[NH3+]CCCCN1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004669930	0	31	0.0	-80.84	272.48	-0.09	-80.93
[NH3+]CCCCN1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004669930	1	31	0.0	-80.71	272.58	-0.10	-80.81
O=C(NC1=N[N-]N=N1)C1=NOC2(C1)CC[NH2+]CC2	REAL250004669931	0	31	0.0	-70.21	256.62	1.20	-69.01
O=C(NC1=NN=N[N-]1)C1=NOC2(C1)CC[NH2+]CC2	REAL250004669931	1	31	0.0	-70.24	256.53	1.21	-69.03
CC(C)(C(=O)NC1=N[N-]N=N1)C([NH3+])C1=CC=CC=C1	REAL250004669933	0	35	0.0	-49.72	270.40	3.64	-46.08
CC(C)(C(=O)NC1=NN=N[N-]1)C([NH3+])C1=CC=CC=C1	REAL250004669933	1	35	0.0	-49.83	270.30	3.64	-46.19
O=C(NC1=NN=N[N-]1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL250004669934	0	33	0.0	-76.55	272.49	2.40	-74.15
O=C(NC1=N[N-]N=N1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL250004669934	1	33	0.0	-76.49	272.59	2.38	-74.11
[NH3+]C1CCCCN(CC(=O)NC2=N[N-]N=N2)C1=O	REAL250004669935	0	33	0.0	-67.27	266.40	0.87	-66.40
[NH3+]C1CCCCN(CC(=O)NC2=NN=N[N-]2)C1=O	REAL250004669935	1	33	0.0	-67.37	266.31	0.88	-66.49
[NH3+]C(CCC(=O)NC1=N[N-]N=N1)CC1CCCCC1	REAL250004669936	0	41	0.0	-78.36	309.54	4.15	-74.21
[NH3+]C(CCC(=O)NC1=NN=N[N-]1)CC1CCCCC1	REAL250004669936	1	41	0.0	-78.44	309.45	4.16	-74.28
O=C(NC1=N[N-]N=N1)C1=CN=C(C2CC[NH2+]CC2)O1	REAL250004669937	0	32	0.0	-76.80	269.34	0.32	-76.48
O=C(NC1=NN=N[N-]1)C1=CN=C(C2CC[NH2+]CC2)O1	REAL250004669937	1	32	0.0	-76.91	269.24	0.33	-76.58
O=C(NC1=NN=N[N-]1)C1=CC2=C(CC[NH2+]C2)S1	REAL250004669938	0	27	0.0	-78.66	241.37	3.07	-75.59
O=C(NC1=N[N-]N=N1)C1=CC2=C(CC[NH2+]C2)S1	REAL250004669938	1	27	0.0	-78.57	241.47	3.05	-75.52
O=C(NC1=NN=N[N-]1)C1=CN=NN1C1CC[NH2+]CC1	REAL250004669939	0	32	0.0	-64.08	264.30	1.20	-62.88
O=C(NC1=N[N-]N=N1)C1=CN=NN1C1CC[NH2+]CC1	REAL250004669939	1	32	0.0	-63.99	264.40	1.20	-62.79
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL250004669940	1	26	0.0	-58.84	238.43	2.57	-56.27
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004669941	0	36	0.0	-74.40	283.87	4.11	-70.29
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004669941	1	36	0.0	-74.36	283.97	4.09	-70.27
O=C(NC1=NN=N[N-]1)C1=CN(C2CCC[NH2+]CC2)N=N1	REAL250004669942	0	35	0.0	-79.61	279.76	1.50	-78.11
O=C(NC1=N[N-]N=N1)C1=CN(C2CCC[NH2+]CC2)N=N1	REAL250004669942	1	35	0.0	-79.55	279.86	1.49	-78.06
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)NC1=NN=N[N-]1	REAL250004669943	0	36	0.0	-63.82	301.85	2.82	-61.00
COC1=CC=CC(CC([NH3+])C(=O)NC2=N[N-]N=N2)=C1	REAL250004669944	0	33	0.0	-57.41	278.45	1.90	-55.51
COC1=CC=CC(CC([NH3+])C(=O)NC2=NN=N[N-]2)=C1	REAL250004669944	1	33	0.0	-57.55	278.35	1.92	-55.63
O=C(NC1=N[N-]N=N1)C1=C(C(F)F)N(C2CC[NH2+]C2)N=N1	REAL250004669945	0	32	0.0	-75.28	275.65	1.16	-74.12
O=C(NC1=NN=N[N-]1)C1=C(C(F)F)N(C2CC[NH2+]C2)N=N1	REAL250004669945	1	32	0.0	-75.30	275.55	1.18	-74.12
[NH3+]C(C(=O)NC1=N[N-]N=N1)C1(C(F)(F)F)CC1	REAL250004669946	0	26	0.0	-70.46	231.95	1.01	-69.45
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1(C(F)(F)F)CC1	REAL250004669946	1	26	0.0	-70.60	231.86	1.03	-69.57
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004669948	1	26	0.0	-64.87	235.32	2.08	-62.79
O=C(NC1=N[N-]N=N1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL250004669949	0	32	0.0	-71.12	268.31	2.59	-68.53
O=C(NC1=NN=N[N-]1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL250004669949	1	32	0.0	-71.21	268.21	2.60	-68.61
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CC[NH2+]C1	REAL250004669950	0	26	0.0	-61.45	226.46	1.82	-59.63
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC[NH2+]C1	REAL250004669950	1	26	0.0	-61.53	226.37	1.84	-59.69
O=C(NC1=N[N-]N=N1)C1=NOC2(C1)CCC[NH2+]C2	REAL250004669951	0	31	0.0	-64.37	256.47	1.20	-63.17
O=C(NC1=NN=N[N-]1)C1=NOC2(C1)CCC[NH2+]C2	REAL250004669951	1	31	0.0	-64.44	256.37	1.21	-63.23
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL250004669952	1	29	0.0	-64.49	266.72	2.88	-61.61
O=C(CC1=CC=CC2=C1CC[NH2+]C2)NC1=N[N-]N=N1	REAL250004669953	0	33	0.0	-66.51	268.99	4.40	-62.11
O=C(CC1=CC=CC2=C1CC[NH2+]C2)NC1=NN=N[N-]1	REAL250004669953	1	33	0.0	-66.58	268.89	4.44	-62.14
N#CC1=CC=C2C(=C1)CC[NH2+]C2C(=O)NC1=NN=N[N-]1	REAL250004669954	1	31	0.0	-66.31	267.63	4.55	-61.76
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL250004669955	1	29	0.0	-66.08	266.36	2.86	-63.22
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=N[N-]N=N1	REAL250004669956	0	37	0.0	-59.52	301.07	3.57	-55.95
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=N[N-]N=N1	REAL250004669956	1	37	0.0	-59.55	301.11	3.58	-55.97
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=NN=N[N-]1	REAL250004669956	1	37	0.0	-59.61	300.98	3.59	-56.02
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=NN=N[N-]1	REAL250004669956	1	37	0.0	-59.63	301.01	3.60	-56.03
CC([NH3+])(C(=O)NC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004669957	1	31	0.0	-68.23	268.37	3.17	-65.06
O=C(NC1=N[N-]N=N1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL250004669958	0	32	0.0	-80.46	277.40	2.33	-78.13
O=C(NC1=NN=N[N-]1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL250004669958	1	32	0.0	-80.49	277.30	2.34	-78.15
O=C(NC1=N[N-]N=N1)C1=CNC(C2CC[NH2+]CC2)=N1	REAL250004669959	0	33	0.0	-83.10	272.58	1.89	-81.21
O=C(NC1=NN=N[N-]1)C1=CNC(C2CC[NH2+]CC2)=N1	REAL250004669959	1	33	0.0	-83.32	272.45	1.89	-81.43
O=C(NC1=NN=N[N-]1)C1=C(C2CC[NH2+]CC2)OC=N1	REAL250004669960	0	32	0.0	-69.86	265.78	0.15	-69.71
O=C(NC1=N[N-]N=N1)C1=C(C2CC[NH2+]CC2)OC=N1	REAL250004669960	1	32	0.0	-69.75	265.88	0.13	-69.62
CC(C)C([NH3+])C(=O)NCCC(=O)NC1=N[N-]N=N1	REAL250004669961	0	35	0.0	-77.30	285.89	-0.66	-77.96
CC(C)C([NH3+])C(=O)NCCC(=O)NC1=NN=N[N-]1	REAL250004669961	1	35	0.0	-77.39	285.80	-0.65	-78.04
O=C(NC1=NN=N[N-]1)C1=CC=NC(N2CC[NH2+]CC2)=C1	REAL250004669962	0	34	0.0	-71.94	276.96	2.07	-69.87
O=C(NC1=N[N-]N=N1)C1=CC=NC(N2CC[NH2+]CC2)=C1	REAL250004669962	1	34	0.0	-71.88	277.06	2.06	-69.82
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL250004669963	1	26	0.0	-63.80	248.93	2.48	-61.32
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL250004669964	1	29	0.0	-55.59	254.59	2.73	-52.86
C[NH2+]CCOC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004669965	0	33	0.0	-58.65	276.99	4.56	-54.09
C[NH2+]CCOC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004669965	1	33	0.0	-58.57	277.09	4.56	-54.01
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2CC[NH2+]CC2)=N1	REAL250004669966	0	35	0.0	-77.55	294.35	3.11	-74.44
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2CC[NH2+]CC2)=N1	REAL250004669966	1	35	0.0	-77.71	294.40	3.12	-74.59
O=C(NC1=N[N-]N=N1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(Cl)C=C1	REAL250004669967	0	33	0.0	-70.27	287.48	4.84	-65.43
O=C(NC1=NN=N[N-]1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(Cl)C=C1	REAL250004669967	1	33	0.0	-70.36	287.38	4.86	-65.50
[NH3+][C@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=N[N-]N=N1	REAL250004669968	0	33	0.0	-60.84	281.74	2.60	-58.24
[NH3+][C@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=NN=N[N-]1	REAL250004669968	1	33	0.0	-60.91	281.65	2.62	-58.29
[NH3+]C1CCOC2(CC(C(=O)NC3=N[N-]N=N3)C2)C1	REAL250004669969	0	34	0.0	-73.83	270.32	0.80	-73.03
[NH3+]C1CCOC2(CC(C(=O)NC3=NN=N[N-]3)C2)C1	REAL250004669969	1	34	0.0	-73.94	270.22	0.81	-73.13
O=C(NC1=N[N-]N=N1)C1=CN=C(CC2CC[NH2+]CC2)S1	REAL250004669970	0	35	0.0	-73.20	295.72	3.16	-70.04
O=C(NC1=NN=N[N-]1)C1=CN=C(CC2CC[NH2+]CC2)S1	REAL250004669970	1	35	0.0	-73.26	295.61	3.17	-70.09
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)NC1=N[N-]N=N1	REAL250004669971	0	32	0.0	-57.55	278.14	3.13	-54.42
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)NC1=NN=N[N-]1	REAL250004669971	1	32	0.0	-57.63	278.05	3.15	-54.48
[NH3+]CCC1=CN2N=CC(C(=O)NC3=NN=N[N-]3)=C2N=C1	REAL250004669972	0	31	0.0	-98.28	274.06	1.50	-96.78
[NH3+]CCC1=CN2N=CC(C(=O)NC3=N[N-]N=N3)=C2N=C1	REAL250004669972	1	31	0.0	-98.17	274.16	1.49	-96.68
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)NC1=N[N-]N=N1	REAL250004669973	0	33	0.0	-88.54	273.55	-0.59	-89.13
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)NC1=NN=N[N-]1	REAL250004669973	1	33	0.0	-88.62	273.45	-0.58	-89.20
CS(=O)(=O)C1CC1(C[NH3+])C(=O)NC1=N[N-]N=N1	REAL250004669974	0	29	0.0	-71.85	255.34	-2.13	-73.98
CS(=O)(=O)C1CC1(C[NH3+])C(=O)NC1=NN=N[N-]1	REAL250004669974	1	29	0.0	-71.98	255.25	-2.12	-74.10
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CC[NH2+]CC1	REAL250004669975	0	29	0.0	-63.36	237.87	2.44	-60.92
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC[NH2+]CC1	REAL250004669975	1	29	0.0	-63.47	237.77	2.46	-61.01
O=C(NC1=NN=N[N-]1)C1CCC2CCCCC2[NH2+]1	REAL250004669976	0	36	0.0	-60.88	265.99	3.97	-56.91
O=C(NC1=N[N-]N=N1)C1CCCCC12CC[NH2+]CC2	REAL250004669977	0	39	0.0	-56.52	271.09	4.06	-52.46
O=C(NC1=NN=N[N-]1)C1CCCCC12CC[NH2+]CC2	REAL250004669977	1	39	0.0	-56.67	271.00	4.08	-52.59
CC1(C)OCC2C[NH2+]CC21C(=O)NC1=N[N-]N=N1	REAL250004669980	0	34	0.0	-79.56	251.01	1.49	-78.07
CC1(C)OCC2C[NH2+]CC21C(=O)NC1=NN=N[N-]1	REAL250004669980	1	34	0.0	-79.63	250.92	1.50	-78.13
O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1OCC[NH2+]C2	REAL250004669981	0	31	0.0	-77.92	254.41	3.85	-74.07
O=C(NC1=N[N-]N=N1)C1=CC=CC2=C1OCC[NH2+]C2	REAL250004669981	1	31	0.0	-77.82	254.51	3.85	-73.97
O=C(NC1=NN=N[N-]1)C1[NH2+]CCOC2=CC=CC=C21	REAL250004669982	1	31	0.0	-68.34	248.71	3.92	-64.42
O=C(NC1=N[N-]N=N1)C1CC(=O)N(C2C[NH2+]C2)C1	REAL250004669983	0	31	0.0	-65.15	255.39	0.63	-64.52
O=C(NC1=NN=N[N-]1)C1CC(=O)N(C2C[NH2+]C2)C1	REAL250004669983	1	31	0.0	-65.22	255.29	0.65	-64.57
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)NC1=N[N-]N=N1	REAL250004669984	0	36	0.0	-54.97	294.85	3.06	-51.91
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)NC1=NN=N[N-]1	REAL250004669984	1	36	0.0	-55.13	294.76	3.07	-52.06
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)NC1=N[N-]N=N1	REAL250004669985	0	36	0.0	-55.02	295.01	3.05	-51.97
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)NC1=NN=N[N-]1	REAL250004669985	1	36	0.0	-55.08	294.92	3.06	-52.02
O=C(CCCCC1CC[NH2+]CC1)NC1=N[N-]N=N1	REAL250004669986	0	38	0.0	-72.63	295.75	4.62	-68.01
O=C(CCCCC1CC[NH2+]CC1)NC1=NN=N[N-]1	REAL250004669986	1	38	0.0	-72.69	295.65	4.63	-68.06
[NH3+]CC1=CN2C=C(C(=O)NC3=NN=N[N-]3)N=C2C=C1	REAL250004669987	0	29	0.0	-94.67	258.61	2.30	-92.37
[NH3+]CC1=CN2C=C(C(=O)NC3=N[N-]N=N3)N=C2C=C1	REAL250004669987	1	29	0.0	-94.58	258.71	2.29	-92.29
[NH3+]CC(C(=O)NC1=N[N-]N=N1)C1CCCCCC1	REAL250004669988	0	38	0.0	-64.18	274.06	3.07	-61.11
[NH3+]CC(C(=O)NC1=NN=N[N-]1)C1CCCCCC1	REAL250004669988	1	38	0.0	-64.14	273.97	3.08	-61.06
O=C(NC1=NN=N[N-]1)C1[NH2+]CCC2CCCCC21	REAL250004669989	0	36	0.0	-56.63	269.40	4.45	-52.18
[NH3+][C@H]1C[C@@](C(=O)NC2=NN=N[N-]2)(C2=CC=CC=C2)C1	REAL250004669990	0	33	0.0	-72.64	274.05	3.34	-69.30
[NH3+][C@H]1C[C@@](C(=O)NC2=N[N-]N=N2)(C2=CC=CC=C2)C1	REAL250004669990	1	33	0.0	-72.51	274.15	3.33	-69.18
[NH3+]CCN1CCCC(C(=O)NC2=N[N-]N=N2)C1=O	REAL250004669991	0	33	0.0	-75.39	268.24	0.69	-74.70
[NH3+]CCN1CCCC(C(=O)NC2=NN=N[N-]2)C1=O	REAL250004669991	1	33	0.0	-75.42	268.15	0.70	-74.72
CCCCCCCCC([NH3+])C(=O)NC1=N[N-]N=N1	REAL250004669992	0	40	0.0	-61.77	318.58	4.27	-57.50
CCCCCCCCC([NH3+])C(=O)NC1=NN=N[N-]1	REAL250004669992	1	40	0.0	-61.91	318.48	4.29	-57.62
[NH3+]C1CCC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C2NC1=O	REAL250004669993	0	34	0.0	-80.18	279.85	1.26	-78.92
[NH3+]C1CCC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C2NC1=O	REAL250004669993	1	34	0.0	-80.02	279.93	1.26	-78.76
[NH3+]CCCC1=CC=C(OCC(=O)NC2=N[N-]N=N2)C=C1	REAL250004669994	0	36	0.0	-83.10	304.89	3.92	-79.18
[NH3+]CCCC1=CC=C(OCC(=O)NC2=NN=N[N-]2)C=C1	REAL250004669994	1	36	0.0	-83.19	304.79	3.93	-79.26
[NH3+][C@@H](CC(=O)NC1=N[N-]N=N1)CC1CCCCC1	REAL250004669996	0	38	0.0	-57.68	287.45	3.67	-54.01
[NH3+][C@@H](CC(=O)NC1=NN=N[N-]1)CC1CCCCC1	REAL250004669996	1	38	0.0	-57.78	287.35	3.68	-54.10
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C(C)[NH3+])S1	REAL250004669997	0	28	0.0	-73.05	253.71	0.39	-72.66
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C(C)[NH3+])S1	REAL250004669997	1	28	0.0	-73.09	253.61	0.40	-72.69
CO[C@]1(C(F)(F)F)C[NH2+][C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004669998	0	30	0.0	-62.41	254.83	0.60	-61.81
COC1=CC=CC2=C1CCC2([NH3+])C(=O)NC1=NN=N[N-]1	REAL250004670000	0	34	0.0	-65.10	279.12	2.21	-62.89
O=C(NC1=N[N-]N=N1)C1C[NH2+]CC12CCCCC2	REAL250004670001	0	36	0.0	-70.48	265.83	3.42	-67.06
O=C(NC1=NN=N[N-]1)C1C[NH2+]CC12CCCCC2	REAL250004670001	1	36	0.0	-70.57	265.74	3.43	-67.14
O=C(NC1=NN=N[N-]1)C1CC(C2=CC=CC=C2)C[NH2+]1	REAL250004670002	0	33	0.0	-60.00	270.84	4.45	-55.55
O=C(NC1=NN=N[N-]1)C1=CSC(N2CC[NH2+]CC2)=N1	REAL250004670003	0	31	0.0	-79.42	271.13	0.87	-78.55
O=C(NC1=N[N-]N=N1)C1=CSC(N2CC[NH2+]CC2)=N1	REAL250004670003	1	31	0.0	-79.33	271.23	0.85	-78.48
O=C(NC1=NN=N[N-]1)C1=CC=C2OCC[NH2+]CC2=C1	REAL250004670004	0	31	0.0	-71.57	256.48	2.67	-68.90
O=C(NC1=N[N-]N=N1)C1=CC=C2OCC[NH2+]CC2=C1	REAL250004670004	1	31	0.0	-71.49	256.58	2.67	-68.82
O=C(NC1=NN=N[N-]1)C1=CN=C(C2CCC[NH2+]2)N=C1	REAL250004670005	0	31	0.0	-64.10	262.37	2.02	-62.08
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(CC[NH3+])S1	REAL250004670006	0	28	0.0	-81.17	254.66	0.45	-80.72
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(CC[NH3+])S1	REAL250004670006	1	28	0.0	-81.21	254.56	0.46	-80.75
CC[NH2+]CC1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL250004670007	0	38	0.0	-73.85	293.96	4.77	-69.08
CC[NH2+]CC1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL250004670007	1	38	0.0	-73.94	293.86	4.79	-69.15
O=C(NC1=N[N-]N=N1)C1CC[NH2+]C(C2CCCO2)C1	REAL250004670008	0	37	0.0	-65.79	279.54	2.56	-63.23
O=C(NC1=NN=N[N-]1)C1CC[NH2+]C(C2CCCO2)C1	REAL250004670008	1	37	0.0	-65.89	279.44	2.57	-63.32
O=C(NC1=NN=N[N-]1)C1=CC=C2C[NH2+]CCOC2=C1	REAL250004670010	0	31	0.0	-82.18	256.51	2.67	-79.51
O=C(NC1=N[N-]N=N1)C1=CC=C2C[NH2+]CCOC2=C1	REAL250004670010	1	31	0.0	-82.10	256.61	2.66	-79.44
O=C(NC1=N[N-]N=N1)C1(C2(O)CCC[NH2+]C2)CCC1	REAL250004670011	0	37	0.0	-68.61	274.20	1.58	-67.03
O=C(NC1=NN=N[N-]1)C1(C2(O)CCC[NH2+]C2)CCC1	REAL250004670011	1	37	0.0	-68.68	274.11	1.61	-67.07
[NH3+]CCC1(CC(=O)NC2=N[N-]N=N2)COCCO1	REAL250004670012	0	34	0.0	-84.39	264.69	0.01	-84.38
[NH3+]CCC1(CC(=O)NC2=NN=N[N-]2)COCCO1	REAL250004670012	1	34	0.0	-84.48	264.60	0.02	-84.46
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)NC1=N[N-]N=N1	REAL250004670013	0	35	0.0	-60.16	288.58	4.28	-55.88
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)NC1=NN=N[N-]1	REAL250004670013	1	35	0.0	-60.26	288.48	4.29	-55.97
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)NC1=N[N-]N=N1	REAL250004670014	0	35	0.0	-60.19	288.58	4.28	-55.91
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)NC1=NN=N[N-]1	REAL250004670014	1	35	0.0	-60.31	288.48	4.29	-56.02
O=C(NC1=N[N-]N=N1)C1(C2(O)CC[NH2+]CC2)CCC1	REAL250004670015	0	37	0.0	-65.45	274.25	1.47	-63.98
O=C(NC1=NN=N[N-]1)C1(C2(O)CC[NH2+]CC2)CCC1	REAL250004670015	1	37	0.0	-65.52	274.16	1.49	-64.03
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@@](O)(C(F)(F)F)C[NH2+]1	REAL250004670016	0	27	0.0	-63.80	242.27	-1.40	-65.20
O=C(NC1=N[N-]N=N1)[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2	REAL250004670017	0	27	0.0	-83.52	237.11	2.45	-81.07
O=C(NC1=NN=N[N-]1)[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2	REAL250004670017	1	27	0.0	-83.55	237.02	2.49	-81.06
[NH3+]C1CCC2(CC(C(=O)NC3=N[N-]N=N3)C2)CC1	REAL250004670018	0	36	0.0	-78.12	277.48	2.91	-75.21
[NH3+]C1CCC2(CC(C(=O)NC3=NN=N[N-]3)C2)CC1	REAL250004670018	1	36	0.0	-78.20	277.39	2.92	-75.28
[NH3+]C(CCSC(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL250004670019	0	26	0.0	-67.10	254.05	1.42	-65.68
[NH3+]C(CCSC(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL250004670019	1	26	0.0	-67.19	253.96	1.44	-65.75
[NH3+]CC1(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=N2)CCC1	REAL250004670020	0	35	0.0	-73.56	286.02	2.51	-71.05
[NH3+]CC1(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=N2)CCC1	REAL250004670020	1	35	0.0	-73.46	286.12	2.50	-70.96
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)NC1=N[N-]N=N1	REAL250004670021	0	34	0.0	-84.03	292.46	0.92	-83.11
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)NC1=NN=N[N-]1	REAL250004670021	1	34	0.0	-84.16	292.36	0.94	-83.22
O=C(NC1=N[N-]N=N1)C1CCCC12CC[NH2+]CC2	REAL250004670022	0	36	0.0	-67.98	265.53	3.67	-64.31
O=C(NC1=NN=N[N-]1)C1CCCC12CC[NH2+]CC2	REAL250004670022	1	36	0.0	-68.04	265.44	3.68	-64.36
CN1C(C(=O)NC2=NN=N[N-]2)=CC=C1C1CCCC[NH2+]1	REAL250004670023	0	37	0.0	-73.92	285.08	5.36	-68.56
CN1C(C(=O)NC2=N[N-]N=N2)=CC=C1C1CCCC[NH2+]1	REAL250004670023	1	37	0.0	-73.83	285.19	5.36	-68.47
O=C(NC1=NN=N[N-]1)C1[NH2+]CCCC1C1=CC=CC=C1	REAL250004670024	0	36	0.0	-65.92	274.57	4.77	-61.15
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCC[NH2+]1	REAL250004670025	0	33	0.0	-55.18	263.82	4.81	-50.37
[NH3+]C1CN(CC2=CC=CC=C2)CC1C(=O)NC1=N[N-]N=N1	REAL250004670026	0	38	0.0	-63.21	300.27	0.97	-62.24
[NH3+]C1CN(CC2=CC=CC=C2)CC1C(=O)NC1=NN=N[N-]1	REAL250004670026	1	38	0.0	-63.31	300.17	0.98	-62.33
CC1=C(C(=O)NC2=N[N-]N=N2)SC(N2CC[NH2+]CC2)=N1	REAL250004670027	0	34	0.0	-80.12	287.16	1.49	-78.63
CC1=C(C(=O)NC2=NN=N[N-]2)SC(N2CC[NH2+]CC2)=N1	REAL250004670027	1	34	0.0	-80.22	287.05	1.49	-78.73
O=C(NC1=NN=N[N-]1)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1	REAL250004670028	0	40	0.0	-69.10	309.68	3.10	-66.00
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)NC1=N[N-]N=N1	REAL250004670029	0	32	0.0	-86.31	269.31	-1.55	-87.86
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)NC1=NN=N[N-]1	REAL250004670029	1	32	0.0	-86.46	269.22	-1.52	-87.98
[NH3+]C(CC1=CC=C2C=CNC2=C1)C(=O)NC1=N[N-]N=N1	REAL250004670030	0	33	0.0	-59.62	280.28	2.64	-56.98
[NH3+]C(CC1=CC=C2C=CNC2=C1)C(=O)NC1=NN=N[N-]1	REAL250004670030	1	33	0.0	-59.67	280.19	2.66	-57.01
O=C(NC1=NN=N[N-]1)C1=CC2=C(C[NH2+]CC2)S1	REAL250004670031	0	27	0.0	-80.17	241.37	3.06	-77.11
O=C(NC1=N[N-]N=N1)C1=CC2=C(C[NH2+]CC2)S1	REAL250004670031	1	27	0.0	-80.08	241.48	3.03	-77.05
O=C(NC1=NN=N[N-]1)C1=CC=CC2=C1C[NH2+]CCO2	REAL250004670032	0	31	0.0	-52.81	248.78	2.80	-50.01
O=C(NC1=N[N-]N=N1)C1=CC=CC2=C1C[NH2+]CCO2	REAL250004670032	1	31	0.0	-52.70	248.88	2.78	-49.92
O=C(NC1=N[N-]N=N1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1F	REAL250004670033	0	33	0.0	-77.08	282.17	4.41	-72.67
O=C(NC1=NN=N[N-]1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1F	REAL250004670033	1	33	0.0	-77.18	282.08	4.43	-72.75
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)NC1=N[N-]N=N1	REAL250004670034	0	35	0.0	-75.85	299.52	2.97	-72.88
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)NC1=NN=N[N-]1	REAL250004670034	1	35	0.0	-75.92	299.42	2.99	-72.93
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)NC1=N[N-]N=N1	REAL250004670035	0	29	0.0	-56.28	262.64	2.93	-53.35
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)NC1=NN=N[N-]1	REAL250004670035	1	29	0.0	-56.41	262.55	2.95	-53.46
[NH3+]CC1=CC=C(C2(C(=O)NC3=N[N-]N=N3)CC2)C=C1	REAL250004670036	0	33	0.0	-79.44	278.95	3.55	-75.89
[NH3+]CC1=CC=C(C2(C(=O)NC3=NN=N[N-]3)CC2)C=C1	REAL250004670036	1	33	0.0	-79.49	278.85	3.56	-75.93
[NH3+]CC1(CC(=O)NC2=N[N-]N=N2)CCS(=O)(=O)CC1	REAL250004670037	0	35	0.0	-78.26	270.85	-1.59	-79.85
[NH3+]CC1(CC(=O)NC2=NN=N[N-]2)CCS(=O)(=O)CC1	REAL250004670037	1	35	0.0	-78.41	270.76	-1.58	-79.99
O=C(NC1=N[N-]N=N1)[C@@H]1C[NH2+]C[C@H]1CC1=CC=CC=C1	REAL250004670038	0	36	0.0	-76.29	291.24	5.01	-71.28
O=C(NC1=NN=N[N-]1)[C@@H]1C[NH2+]C[C@H]1CC1=CC=CC=C1	REAL250004670038	1	36	0.0	-76.39	291.15	5.02	-71.37
[NH3+]C(CC(=O)NC1=N[N-]N=N1)C1CCCCCC1	REAL250004670039	0	38	0.0	-55.39	275.48	3.36	-52.03
[NH3+]C(CC(=O)NC1=NN=N[N-]1)C1CCCCCC1	REAL250004670039	1	38	0.0	-55.51	275.38	3.37	-52.14
CN1N=CC(C(=O)NC2=N[N-]N=N2)=C1CN1CC[NH2+]CC1	REAL250004670041	0	38	0.0	-70.69	299.70	0.36	-70.33
CN1N=CC(C(=O)NC2=NN=N[N-]2)=C1CN1CC[NH2+]CC1	REAL250004670041	1	38	0.0	-70.74	299.60	0.38	-70.36
[NH3+][C@H](CC(=O)NC1=N[N-]N=N1)CC1CCCCC1	REAL250004670042	0	38	0.0	-57.70	287.45	3.67	-54.03
[NH3+][C@H](CC(=O)NC1=NN=N[N-]1)CC1CCCCC1	REAL250004670042	1	38	0.0	-57.81	287.36	3.68	-54.13
O=C(NC1=NN=N[N-]1)C1=CC=C(C2CCC[NH2+]2)S1	REAL250004670043	0	30	0.0	-71.79	263.13	3.88	-67.91
O=C(NC1=N[N-]N=N1)C1=CC=C(C2CCC[NH2+]2)S1	REAL250004670043	1	30	0.0	-71.73	263.24	3.87	-67.86
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004670044	0	31	0.0	-71.24	261.93	-0.64	-71.88
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004670044	1	31	0.0	-71.16	262.03	-0.65	-71.81
O=C(NC1=N[N-]N=N1)C1=CSC(C2CCC[NH2+]C2)=N1	REAL250004670045	0	32	0.0	-77.56	277.54	2.30	-75.26
O=C(NC1=NN=N[N-]1)C1=CSC(C2CCC[NH2+]C2)=N1	REAL250004670045	1	32	0.0	-77.57	277.43	2.31	-75.26
O=C(NC1=NN=N[N-]1)C1=CN(CCC2CCCC[NH2+]2)N=N1	REAL250004670046	0	38	0.0	-77.92	310.74	2.80	-75.12
O=C(NC1=N[N-]N=N1)C1=CN(CCC2CCCC[NH2+]2)N=N1	REAL250004670046	1	38	0.0	-77.81	310.84	2.78	-75.03
O=C(NC1=N[N-]N=N1)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1	REAL250004670047	0	36	0.0	-74.65	288.67	5.04	-69.61
O=C(NC1=NN=N[N-]1)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1	REAL250004670047	1	36	0.0	-74.69	288.58	5.06	-69.63
O=C(NC1=N[N-]N=N1)C1(CC(F)F)CC[NH2+]CC1	REAL250004670048	0	32	0.0	-64.53	251.80	2.69	-61.84
O=C(NC1=NN=N[N-]1)C1(CC(F)F)CC[NH2+]CC1	REAL250004670048	1	32	0.0	-64.58	251.71	2.71	-61.87
O=C(NC1=N[N-]N=N1)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2	REAL250004670049	0	30	0.0	-88.72	252.06	-1.53	-90.25
O=C(NC1=NN=N[N-]1)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2	REAL250004670049	1	30	0.0	-88.85	251.96	-1.51	-90.36
O=C(NC1=N[N-]N=N1)C1(C2CCOCC2)CC[NH2+]C1	REAL250004670050	0	37	0.0	-72.73	269.56	1.84	-70.89
O=C(NC1=NN=N[N-]1)C1(C2CCOCC2)CC[NH2+]C1	REAL250004670050	1	37	0.0	-72.81	269.46	1.87	-70.94
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)NC1=NN=N[N-]1	REAL250004670051	0	36	0.0	-56.19	299.42	4.39	-51.80
CC[NH2+]C(CC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004670052	0	35	0.0	-62.32	286.31	5.49	-56.83
CC1=C(C(=O)NC2=N[N-]N=N2)N=C(C2CC[NH2+]CC2)N1	REAL250004670053	0	36	0.0	-83.29	290.59	2.47	-80.82
CC1=C(C(=O)NC2=NN=N[N-]2)N=C(C2CC[NH2+]CC2)N1	REAL250004670053	1	36	0.0	-83.43	290.44	2.47	-80.96
CC1=C(C(=O)NC2=N[N-]N=N2)NC(C2CC[NH2+]CC2)=N1	REAL250004670053	1	36	0.0	-77.50	289.56	2.50	-75.00
O=C(NC1=N[N-]N=N1)C1=NOC(CC2CCCC[NH2+]2)=C1	REAL250004670054	0	35	0.0	-66.67	288.65	3.69	-62.98
O=C(NC1=NN=N[N-]1)C1=NOC(CC2CCCC[NH2+]2)=C1	REAL250004670054	1	35	0.0	-66.75	288.56	3.70	-63.05
CC(C)(C)C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=N[N-]N=N1	REAL250004670055	0	38	0.0	-70.78	284.64	3.70	-67.08
CC(C)(C)C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=NN=N[N-]1	REAL250004670055	1	38	0.0	-70.88	284.55	3.71	-67.17
O=C(NC1=N[N-]N=N1)C1C[NH2+]CCC12CCOC2	REAL250004670056	0	34	0.0	-77.47	249.83	1.08	-76.39
O=C(NC1=NN=N[N-]1)C1C[NH2+]CCC12CCOC2	REAL250004670056	1	34	0.0	-77.57	249.74	1.09	-76.48
[NH3+]C(CC(=O)NC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL250004670057	0	29	0.0	-60.06	251.73	2.81	-57.25
[NH3+]C(CC(=O)NC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL250004670057	1	29	0.0	-60.16	251.64	2.82	-57.34
O=C(NC1=N[N-]N=N1)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1	REAL250004670058	0	36	0.0	-66.17	273.66	4.69	-61.48
O=C(NC1=NN=N[N-]1)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1	REAL250004670058	1	36	0.0	-66.26	273.56	4.73	-61.53
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004670059	0	33	0.0	-83.53	282.48	-1.79	-85.32
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004670059	1	33	0.0	-83.46	282.58	-1.81	-85.27
C=CCOCC1(C(=O)NC2=N[N-]N=N2)CCC[NH2+]C1	REAL250004670060	0	37	0.0	-58.84	288.66	3.48	-55.36
C=CCOCC1(C(=O)NC2=NN=N[N-]2)CCC[NH2+]C1	REAL250004670060	1	37	0.0	-58.99	288.57	3.49	-55.50
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)NC1=N[N-]N=N1	REAL250004670061	0	29	0.0	-61.73	255.38	2.65	-59.08
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)NC1=NN=N[N-]1	REAL250004670061	1	29	0.0	-61.82	255.29	2.67	-59.15
[NH3+]C1CCC(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C21	REAL250004670062	0	33	0.0	-83.15	264.52	3.50	-79.65
[NH3+]C1CCC(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C21	REAL250004670062	1	33	0.0	-83.21	264.42	3.52	-79.69
O=C(NC1=N[N-]N=N1)C1CCC(C2CCC2)[NH2+]C1	REAL250004670063	0	36	0.0	-59.63	273.10	4.35	-55.28
O=C(NC1=NN=N[N-]1)C1CCC(C2CCC2)[NH2+]C1	REAL250004670063	1	36	0.0	-59.72	273.01	4.37	-55.35
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)NC1=NN=N[N-]1	REAL250004670064	0	33	0.0	-87.98	273.22	3.08	-84.90
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)NC1=N[N-]N=N1	REAL250004670064	1	33	0.0	-87.92	273.32	3.07	-84.85
O=C(NC1=N[N-]N=N1)C1(C2=CC[NH2+]CC2)CCOCC1	REAL250004670065	0	38	0.0	-73.06	285.31	2.50	-70.56
O=C(NC1=NN=N[N-]1)C1(C2=CC[NH2+]CC2)CCOCC1	REAL250004670065	1	38	0.0	-73.12	285.22	2.52	-70.60
CC(C)CC1(C(=O)NC2=N[N-]N=N2)CC[NH2+]CC1	REAL250004670066	0	38	0.0	-66.39	277.65	3.71	-62.68
CC(C)CC1(C(=O)NC2=NN=N[N-]2)CC[NH2+]CC1	REAL250004670066	1	38	0.0	-66.49	277.56	3.71	-62.78
C=CCOCC1(C(=O)NC2=N[N-]N=N2)CC[NH2+]C1	REAL250004670067	0	34	0.0	-68.51	276.58	2.60	-65.91
C=CCOCC1(C(=O)NC2=NN=N[N-]2)CC[NH2+]C1	REAL250004670067	1	34	0.0	-68.65	276.48	2.61	-66.04
C=CCOCC1(C(=O)NC2=N[N-]N=N2)CC[NH2+]CC1	REAL250004670068	0	37	0.0	-65.32	288.70	3.23	-62.09
C=CCOCC1(C(=O)NC2=NN=N[N-]2)CC[NH2+]CC1	REAL250004670068	1	37	0.0	-65.43	288.60	3.24	-62.19
O=C(NC1=N[N-]N=N1)C1C[NH2+]CCC12CCOCC2	REAL250004670069	0	37	0.0	-78.05	266.62	1.73	-76.32
O=C(NC1=NN=N[N-]1)C1C[NH2+]CCC12CCOCC2	REAL250004670069	1	37	0.0	-78.18	266.53	1.75	-76.43
O=C(NC1=NN=N[N-]1)C1CC2(C[NH2+]1)CCCCC2	REAL250004670070	0	36	0.0	-56.01	270.74	3.74	-52.27
O=C(NC1=NN=N[N-]1)C1=CN(CC2C[NH2+]CCO2)N=N1	REAL250004670071	0	33	0.0	-82.28	282.04	-0.25	-82.53
O=C(NC1=N[N-]N=N1)C1=CN(CC2C[NH2+]CCO2)N=N1	REAL250004670071	1	33	0.0	-82.24	282.14	-0.26	-82.50
[NH3+]CC1=C(Cl)SC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004670072	0	23	0.0	-71.32	234.52	1.44	-69.88
[NH3+]CC1=C(Cl)SC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004670072	1	23	0.0	-71.24	234.63	1.42	-69.82
O=C(NC1=N[N-]N=N1)C1CCC2(CC[NH2+]C2)CC1	REAL250004670073	0	36	0.0	-74.51	269.99	3.67	-70.84
O=C(NC1=NN=N[N-]1)C1CCC2(CC[NH2+]C2)CC1	REAL250004670073	1	36	0.0	-74.57	269.89	3.69	-70.88
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)NC1=N[N-]N=N1	REAL250004670074	0	36	0.0	-58.15	303.38	2.84	-55.31
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)NC1=NN=N[N-]1	REAL250004670074	1	36	0.0	-58.23	303.29	2.85	-55.38
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL250004670075	1	26	0.0	-63.71	244.36	2.38	-61.33
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)NC1=N[N-]N=N1	REAL250004670076	0	36	0.0	-58.16	303.38	2.84	-55.32
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)NC1=NN=N[N-]1	REAL250004670076	1	36	0.0	-58.24	303.29	2.85	-55.39
O=C(NC1=N[N-]N=N1)C1=NOC(CC2CC[NH2+]CC2)=C1	REAL250004670077	0	35	0.0	-72.26	288.64	3.44	-68.82
O=C(NC1=NN=N[N-]1)C1=NOC(CC2CC[NH2+]CC2)=C1	REAL250004670077	1	35	0.0	-72.31	288.54	3.44	-68.87
C=CCC1(C(=O)NC2=N[N-]N=N2)CCC[NH2+]CC1	REAL250004670078	0	36	0.0	-62.19	259.12	3.95	-58.24
C=CCC1(C(=O)NC2=NN=N[N-]2)CCC[NH2+]CC1	REAL250004670078	1	36	0.0	-62.31	259.03	3.96	-58.35
[NH3+]C(C(=O)NC1=N[N-]N=N1)C1CC1C1=CC=CC=C1	REAL250004670079	0	33	0.0	-66.43	274.79	4.09	-62.34
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1CC1C1=CC=CC=C1	REAL250004670079	1	33	0.0	-66.54	274.70	4.11	-62.43
O=C(NC1=N[N-]N=N1)C1(C2CC[NH2+]CC2)CCOCC1	REAL250004670080	0	40	0.0	-73.88	287.23	2.36	-71.52
O=C(NC1=NN=N[N-]1)C1(C2CC[NH2+]CC2)CCOCC1	REAL250004670080	1	40	0.0	-73.94	287.13	2.37	-71.57
O=C(NC1=NN=N[N-]1)C1=NN(C2CC[NH2+]CC2)C=C1	REAL250004670082	0	33	0.0	-86.04	272.75	2.44	-83.60
O=C(NC1=N[N-]N=N1)C1=NN(C2CC[NH2+]CC2)C=C1	REAL250004670082	1	33	0.0	-85.94	272.85	2.42	-83.52
O=C(NC1=N[N-]N=N1)C12CC[NH2+]C1CCCCC2	REAL250004670083	0	36	0.0	-59.28	259.99	3.22	-56.06
O=C(NC1=NN=N[N-]1)C12CC[NH2+]C1CCCCC2	REAL250004670083	1	36	0.0	-59.38	259.90	3.24	-56.14
[NH3+][C@H](COCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004670084	1	33	0.0	-57.03	285.70	1.96	-55.07
[NH3+][C@@H](COCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004670085	1	33	0.0	-57.00	285.70	1.96	-55.04
CC1=CC(C)=C(C([NH3+])C(=O)NC2=NN=N[N-]2)C(C)=C1	REAL250004670086	1	35	0.0	-63.90	267.82	3.89	-60.01
O=C(NC1=NN=N[N-]1)C1=C(C2C3CC2[NH2+]C3)OC=N1	REAL250004670087	0	30	0.0	-69.17	246.91	0.20	-68.97
O=C(NC1=N[N-]N=N1)C1=C(C2C3CC2[NH2+]C3)OC=N1	REAL250004670087	1	30	0.0	-69.03	247.01	0.19	-68.84
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004670088	0	33	0.0	-62.38	288.20	2.18	-60.20
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004670088	1	33	0.0	-62.48	288.10	2.20	-60.28
[NH3+]CCCCCCCCCC(=O)NC1=N[N-]N=N1	REAL250004670089	0	40	0.0	-75.97	322.06	4.33	-71.64
[NH3+]CCCCCCCCCC(=O)NC1=NN=N[N-]1	REAL250004670089	1	40	0.0	-76.04	321.97	4.34	-71.70
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL250004670090	1	26	0.0	-67.24	250.25	2.42	-64.82
O=C(NC1=NN=N[N-]1)C1CC2(C[NH2+]1)CCOCC2	REAL250004670091	0	34	0.0	-59.13	262.51	1.40	-57.73
CC1(C)OC2(C[NH3+])CC1(C(=O)NC1=N[N-]N=N1)C2	REAL250004670092	0	34	0.0	-79.15	268.62	0.47	-78.68
CC1(C)OC2(C[NH3+])CC1(C(=O)NC1=NN=N[N-]1)C2	REAL250004670092	1	34	0.0	-79.24	268.53	0.49	-78.75
CC12CC3(C)CC([NH3+])(C1)CC(C(=O)NC1=N[N-]N=N1)(C2)C3	REAL250004670093	0	43	0.0	-80.48	311.14	3.83	-76.65
CC12CC3(C)CC([NH3+])(C1)CC(C(=O)NC1=NN=N[N-]1)(C2)C3	REAL250004670093	1	43	0.0	-80.53	311.05	3.84	-76.69
[NH3+]C1(C(=O)NC2=N[N-]N=N2)CCC(C(F)F)CC1	REAL250004670094	0	32	0.0	-75.70	254.18	2.03	-73.67
[NH3+]C1(C(=O)NC2=NN=N[N-]2)CCC(C(F)F)CC1	REAL250004670094	1	32	0.0	-75.81	254.07	2.05	-73.76
[NH3+]CC12CC(C(=O)NC3=N[N-]N=N3)(C1)C1(CCC1)O2	REAL250004670095	0	35	0.0	-80.58	278.78	1.27	-79.31
[NH3+]CC12CC(C(=O)NC3=NN=N[N-]3)(C1)C1(CCC1)O2	REAL250004670095	1	35	0.0	-80.66	278.69	1.28	-79.38
[NH3+]CC1=CC=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)C=C1	REAL250004670097	0	36	0.0	-85.13	302.31	5.26	-79.87
[NH3+]CC1=CC=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)C=C1	REAL250004670097	1	36	0.0	-85.06	302.41	5.25	-79.81
O=C(CC1CC2(C[NH2+]1)CCOCC2)NC1=N[N-]N=N1	REAL250004670098	0	37	0.0	-56.85	282.08	2.23	-54.62
O=C(CC1CC2(C[NH2+]1)CCOCC2)NC1=NN=N[N-]1	REAL250004670098	1	37	0.0	-56.94	281.99	2.24	-54.70
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)=C1	REAL250004670099	0	36	0.0	-86.18	302.31	5.26	-80.92
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)=C1	REAL250004670099	1	36	0.0	-86.11	302.41	5.24	-80.87
[NH3+]C(C(=O)NC1=N[N-]N=N1)C1CCC2=CC=CC=C21	REAL250004670100	0	33	0.0	-66.11	264.03	3.64	-62.47
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1CCC2=CC=CC=C21	REAL250004670100	1	33	0.0	-66.22	263.93	3.65	-62.57
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)=C1	REAL250004670101	0	33	0.0	-73.49	280.88	3.85	-69.64
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)=C1	REAL250004670101	1	33	0.0	-73.57	280.79	3.87	-69.70
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004670102	0	33	0.0	-81.44	280.87	3.86	-77.58
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004670102	1	33	0.0	-81.55	280.78	3.87	-77.68
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004670103	0	36	0.0	-73.51	300.88	5.25	-68.26
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004670103	1	36	0.0	-73.41	300.98	5.24	-68.17
C=CCOCC1(C(=O)NC2=N[N-]N=N2)C[NH2+]CCO1	REAL250004670104	0	35	0.0	-59.62	285.54	1.29	-58.33
C=CCOCC1(C(=O)NC2=NN=N[N-]2)C[NH2+]CCO1	REAL250004670104	1	35	0.0	-59.69	285.45	1.30	-58.39
CCC(C1=CC=CC=C1)C([NH3+])C(=O)NC1=N[N-]N=N1	REAL250004670105	0	35	0.0	-69.91	273.26	3.75	-66.16
CCC(C1=CC=CC=C1)C([NH3+])C(=O)NC1=NN=N[N-]1	REAL250004670105	1	35	0.0	-69.99	273.14	3.76	-66.23
COC(=O)[C@@]12CC[C@]1(C(=O)NC1=N[N-]N=N1)C[NH2+]C2	REAL250004670106	0	33	0.0	-80.46	270.72	2.45	-78.01
COC(=O)[C@@]12CC[C@]1(C(=O)NC1=NN=N[N-]1)C[NH2+]C2	REAL250004670106	1	33	0.0	-80.56	270.63	2.46	-78.10
O=C(NC1=N[N-]N=N1)C1CNC(=O)CC12CC[NH2+]CC2	REAL250004670107	0	37	0.0	-89.97	272.35	0.49	-89.48
O=C(NC1=NN=N[N-]1)C1CNC(=O)CC12CC[NH2+]CC2	REAL250004670107	1	37	0.0	-90.05	272.26	0.50	-89.55
CCOC1=CC=C(C([NH3+])C(=O)NC2=NN=N[N-]2)C=C1	REAL250004670108	1	33	0.0	-62.89	278.99	2.07	-60.82
[NH3+][C@@H](CCSC(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL250004670109	0	26	0.0	-67.11	254.05	1.42	-65.69
[NH3+][C@@H](CCSC(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL250004670109	1	26	0.0	-67.19	253.95	1.44	-65.75
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)C=C1	REAL250004670111	0	36	0.0	-82.84	302.39	5.27	-77.57
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)C=C1	REAL250004670111	1	36	0.0	-82.76	302.49	5.25	-77.51
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)NC1=N[N-]N=N1	REAL250004670112	0	33	0.0	-53.49	268.82	4.73	-48.76
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)NC1=NN=N[N-]1	REAL250004670112	1	33	0.0	-53.56	268.72	4.74	-48.82
COCC1(C(=O)NC2=N[N-]N=N2)CCC[NH2+]CC1	REAL250004670113	0	36	0.0	-64.20	261.24	2.05	-62.15
COCC1(C(=O)NC2=NN=N[N-]2)CCC[NH2+]CC1	REAL250004670113	1	36	0.0	-64.27	261.15	2.07	-62.20
O=C(NC1=N[N-]N=N1)C1(C2CC[NH2+]CC2)CCC1	REAL250004670115	0	36	0.0	-67.94	272.01	4.21	-63.73
O=C(NC1=NN=N[N-]1)C1(C2CC[NH2+]CC2)CCC1	REAL250004670115	1	36	0.0	-68.01	271.91	4.24	-63.77
CC(C)(CC1=CC=C(C[NH3+])C=C1)C(=O)NC1=N[N-]N=N1	REAL250004670116	0	38	0.0	-80.31	303.96	4.15	-76.16
CC(C)(CC1=CC=C(C[NH3+])C=C1)C(=O)NC1=NN=N[N-]1	REAL250004670116	1	38	0.0	-80.39	303.87	4.15	-76.24
CC(C)C(C1=CC=CC=C1)C([NH3+])C(=O)NC1=N[N-]N=N1	REAL250004670117	0	38	0.0	-63.82	295.55	4.31	-59.51
CC(C)C(C1=CC=CC=C1)C([NH3+])C(=O)NC1=NN=N[N-]1	REAL250004670117	1	38	0.0	-63.90	295.46	4.33	-59.57
[NH3+]C1(C(=O)NC2=N[N-]N=N2)CC2(C1)CCOCC2	REAL250004670118	0	34	0.0	-72.13	262.27	0.31	-71.82
[NH3+]C1(C(=O)NC2=NN=N[N-]2)CC2(C1)CCOCC2	REAL250004670118	1	34	0.0	-72.17	262.18	0.32	-71.85
CC(C)(C)C1=CC=C(C([NH3+])C(=O)NC2=NN=N[N-]2)C=C1	REAL250004670119	1	38	0.0	-60.21	303.86	4.18	-56.03
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL250004670120	1	36	0.0	-63.08	301.83	5.26	-57.82
[NH3+]CC1=CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C=C1	REAL250004670121	0	32	0.0	-88.56	274.23	4.09	-84.47
[NH3+]CC1=CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C=C1	REAL250004670121	1	32	0.0	-88.50	274.33	4.08	-84.42
O=C(NC1=NN=N[N-]1)[C@@H]1C[C@H](CC2=CC=CC=C2)C[NH2+]1	REAL250004670122	0	36	0.0	-57.05	294.37	5.28	-51.77
O=C(NC1=NN=N[N-]1)C1CCC2(CCOCC2)C[NH2+]1	REAL250004670123	0	37	0.0	-56.99	271.97	2.22	-54.77
[NH3+]CC1(C(=O)NC2=N[N-]N=N2)CC12CCOCC2	REAL250004670124	0	34	0.0	-70.80	261.19	0.94	-69.86
[NH3+]CC1(C(=O)NC2=NN=N[N-]2)CC12CCOCC2	REAL250004670124	1	34	0.0	-70.91	261.10	0.94	-69.97
[NH3+]CC12CCC(C(=O)NC3=N[N-]N=N3)(CC1)CO2	REAL250004670125	0	34	0.0	-79.93	259.96	0.69	-79.24
[NH3+]CC12CCC(C(=O)NC3=NN=N[N-]3)(CC1)CO2	REAL250004670125	1	34	0.0	-80.01	259.87	0.72	-79.29
O=C(CC1COC2(C1)CC[NH2+]CC2)NC1=N[N-]N=N1	REAL250004670126	0	37	0.0	-72.44	285.53	2.56	-69.88
O=C(CC1COC2(C1)CC[NH2+]CC2)NC1=NN=N[N-]1	REAL250004670126	1	37	0.0	-72.54	285.44	2.57	-69.97
O=C(CC1C[NH2+]C2CCCCC12)NC1=N[N-]N=N1	REAL250004670127	0	36	0.0	-59.84	272.57	3.68	-56.16
O=C(CC1C[NH2+]C2CCCCC12)NC1=NN=N[N-]1	REAL250004670127	1	36	0.0	-59.92	272.48	3.69	-56.23
O=C(NC1=NN=N[N-]1)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL250004670128	0	32	0.0	-67.43	271.71	1.53	-65.90
O=C(NC1=N[N-]N=N1)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL250004670128	1	32	0.0	-67.33	271.81	1.51	-65.82
[NH3+]C1CCCC2=CC(C(=O)NC3=NN=N[N-]3)=CC=C21	REAL250004670129	0	33	0.0	-86.52	265.44	3.61	-82.91
[NH3+]C1CCCC2=CC(C(=O)NC3=N[N-]N=N3)=CC=C21	REAL250004670129	1	33	0.0	-86.47	265.54	3.59	-82.88
O=C(NC1=N[N-]N=N1)C12C[NH2+]CC1CCCCC2	REAL250004670130	0	36	0.0	-65.96	260.81	3.23	-62.73
O=C(NC1=NN=N[N-]1)C12C[NH2+]CC1CCCCC2	REAL250004670130	1	36	0.0	-66.02	260.72	3.24	-62.78
O=C(NC1=N[N-]N=N1)C1CCCC1C1CC[NH2+]CC1	REAL250004670131	0	39	0.0	-53.41	282.94	4.70	-48.71
O=C(NC1=NN=N[N-]1)C1CCCC1C1CC[NH2+]CC1	REAL250004670131	1	39	0.0	-53.48	282.83	4.70	-48.78
[NH3+]CC1=CC=CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004670132	0	32	0.0	-69.05	269.08	3.97	-65.08
[NH3+]CC1=CC=CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004670132	1	32	0.0	-68.93	269.18	3.96	-64.97
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)NC1=N[N-]N=N1	REAL250004670133	0	28	0.0	-65.59	260.69	1.23	-64.36
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)NC1=NN=N[N-]1	REAL250004670133	1	28	0.0	-65.65	260.59	1.24	-64.41
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)=C1	REAL250004670134	0	36	0.0	-89.61	302.39	5.25	-84.36
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)=C1	REAL250004670134	1	36	0.0	-89.57	302.49	5.24	-84.33
O=C(NC1=NN=N[N-]1)C1[NH2+]CCC2=C1C=CC(F)=C2F	REAL250004670135	1	30	0.0	-61.44	258.46	4.16	-57.28
O=C(NC1=NN=N[N-]1)C1=CC2=C(CCC[NH2+]C2)S1	REAL250004670136	0	30	0.0	-74.65	258.28	3.68	-70.97
O=C(NC1=N[N-]N=N1)C1=CC2=C(CCC[NH2+]C2)S1	REAL250004670136	1	30	0.0	-74.56	258.37	3.67	-70.89
[NH3+]C1CCC(C(=O)NC2=N[N-]N=N2)CCC1(F)F	REAL250004670137	0	32	0.0	-75.67	249.87	1.92	-73.75
[NH3+]C1CCC(C(=O)NC2=NN=N[N-]2)CCC1(F)F	REAL250004670137	1	32	0.0	-75.78	249.78	1.93	-73.85
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)NC2=N[N-]N=N2)C1	REAL250004670138	0	38	0.0	-72.96	280.44	3.55	-69.41
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004670138	1	38	0.0	-73.06	280.33	3.58	-69.48
[NH3+]CC(C(=O)NC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL250004670139	0	29	0.0	-64.97	259.92	2.69	-62.28
[NH3+]CC(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL250004670139	1	29	0.0	-65.04	259.83	2.70	-62.34
[NH3+]C1CCCC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2C1	REAL250004670140	0	36	0.0	-77.06	283.72	4.01	-73.05
[NH3+]C1CCCC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2C1	REAL250004670140	1	36	0.0	-76.99	283.81	3.99	-73.00
[NH3+]C(CC(=O)NC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL250004670141	0	29	0.0	-61.67	256.74	2.89	-58.78
[NH3+]C(CC(=O)NC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL250004670141	1	29	0.0	-61.75	256.65	2.90	-58.85
[NH3+]C(CCOCC(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL250004670142	0	29	0.0	-70.43	264.68	0.09	-70.34
[NH3+]C(CCOCC(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL250004670142	1	29	0.0	-70.52	264.59	0.11	-70.41
COC(=O)C1CC(CCC(=O)NC2=NN=N[N-]2)C[NH2+]1	REAL250004670143	1	35	0.0	-72.14	290.21	3.15	-68.99
[NH3+]CC1(C(=O)NC2=N[N-]N=N2)CC2CCC1CC2	REAL250004670144	0	36	0.0	-67.00	259.86	2.64	-64.36
[NH3+]CC1(C(=O)NC2=NN=N[N-]2)CC2CCC1CC2	REAL250004670144	1	36	0.0	-67.14	259.75	2.66	-64.48
O=C(NC1=N[N-]N=N1)C1=COC(C2CC[NH2+]CC2)=N1	REAL250004670145	0	32	0.0	-77.45	270.68	0.00	-77.45
O=C(NC1=NN=N[N-]1)C1=COC(C2CC[NH2+]CC2)=N1	REAL250004670145	1	32	0.0	-77.53	270.58	0.01	-77.52
[NH3+]CC1=CC=C(C2=CC=CC=C2C(=O)NC2=NN=N[N-]2)C=C1	REAL250004670146	0	36	0.0	-63.03	302.40	5.42	-57.61
[NH3+]CC1=CC=C(C2=CC=CC=C2C(=O)NC2=N[N-]N=N2)C=C1	REAL250004670146	1	36	0.0	-62.98	302.48	5.41	-57.57
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)NC2=NN=N[N-]2)N=N1	REAL250004670147	0	32	0.0	-80.65	270.88	0.85	-79.80
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)NC2=N[N-]N=N2)N=N1	REAL250004670147	1	32	0.0	-80.54	270.98	0.85	-79.69
[NH3+]CC12CC(C(=O)NC3=N[N-]N=N3)(CO1)CCC2	REAL250004670148	0	34	0.0	-74.20	259.44	0.51	-73.69
[NH3+]CC12CC(C(=O)NC3=NN=N[N-]3)(CO1)CCC2	REAL250004670148	1	34	0.0	-74.26	259.35	0.54	-73.72
[NH3+]C1(C(=O)NC2=N[N-]N=N2)CC2(CC(F)(F)C2)C1	REAL250004670149	0	30	0.0	-75.24	251.52	2.15	-73.09
[NH3+]C1(C(=O)NC2=NN=N[N-]2)CC2(CC(F)(F)C2)C1	REAL250004670149	1	30	0.0	-75.35	251.43	2.16	-73.19
[NH3+]C1CC2(C1)CCC(C(=O)NC1=N[N-]N=N1)CC2	REAL250004670151	0	36	0.0	-76.97	276.18	2.93	-74.04
[NH3+]C1CC2(C1)CCC(C(=O)NC1=NN=N[N-]1)CC2	REAL250004670151	1	36	0.0	-77.06	276.09	2.95	-74.11
O=C(CC1CCC2(CC[NH2+]CC2)CC1)NC1=N[N-]N=N1	REAL250004670152	0	42	0.0	-71.34	299.16	4.86	-66.48
O=C(CC1CCC2(CC[NH2+]CC2)CC1)NC1=NN=N[N-]1	REAL250004670152	1	42	0.0	-71.44	299.07	4.87	-66.57
O=C(NC1=N[N-]N=N1)C1=CSC(CC2CC[NH2+]C2)=N1	REAL250004670153	0	32	0.0	-76.70	281.18	2.30	-74.40
O=C(NC1=NN=N[N-]1)C1=CSC(CC2CC[NH2+]C2)=N1	REAL250004670153	1	32	0.0	-76.76	281.08	2.31	-74.45
[NH3+][C@H](C(=O)NC1=NN=N[N-]1)[C@@H]1CC2=CC=CC=C2O1	REAL250004670154	0	31	0.0	-69.58	263.76	1.87	-67.71
O=C(CC1C[NH2+]C2(CCC2)CO1)NC1=N[N-]N=N1	REAL250004670155	0	34	0.0	-71.26	270.05	2.65	-68.61
O=C(CC1C[NH2+]C2(CCC2)CO1)NC1=NN=N[N-]1	REAL250004670155	1	34	0.0	-71.35	269.95	2.66	-68.69
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C(C)[NH3+])=N1	REAL250004670156	1	28	0.0	-76.43	252.69	0.31	-76.12
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C(C)[NH3+])=N1	REAL250004670156	1	28	0.0	-76.53	252.59	0.32	-76.21
O=C(NC1=N[N-]N=N1)C1=CSC(CC2CC[NH2+]CC2)=N1	REAL250004670157	0	35	0.0	-76.61	296.59	3.02	-73.59
O=C(NC1=NN=N[N-]1)C1=CSC(CC2CC[NH2+]CC2)=N1	REAL250004670157	1	35	0.0	-76.68	296.49	3.03	-73.65
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)NC1=NN=N[N-]1	REAL250004670158	0	32	0.0	-80.22	252.93	0.06	-80.16
O=C(CC1CCC2C[NH2+]CCC2C1)NC1=N[N-]N=N1	REAL250004670159	0	39	0.0	-72.91	292.08	4.65	-68.26
O=C(CC1CCC2C[NH2+]CCC2C1)NC1=NN=N[N-]1	REAL250004670159	1	39	0.0	-72.99	291.99	4.66	-68.33
CCOC(=O)C1(C(=O)NC2=N[N-]N=N2)CCC[NH2+]C1	REAL250004670160	0	35	0.0	-52.32	278.38	3.36	-48.96
CCOC(=O)C1(C(=O)NC2=NN=N[N-]2)CCC[NH2+]C1	REAL250004670160	1	35	0.0	-52.42	278.28	3.38	-49.04
CC1(C)C2CCC1(C(=O)NC1=N[N-]N=N1)C([NH3+])C2	REAL250004670164	0	36	0.0	-59.39	257.86	2.54	-56.85
CC1(C)C2CCC1(C(=O)NC1=NN=N[N-]1)C([NH3+])C2	REAL250004670164	1	36	0.0	-59.43	257.77	2.55	-56.88
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2CCC[NH2+]C2)=N1	REAL250004670165	0	35	0.0	-75.26	294.50	3.08	-72.18
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2CCC[NH2+]C2)=N1	REAL250004670165	1	35	0.0	-75.36	294.39	3.09	-72.27
O=C(NC1=NN=N[N-]1)C1=CC=C(F)C2=C1CC[NH2+]C2	REAL250004670166	0	30	0.0	-65.86	248.16	3.91	-61.95
O=C(NC1=N[N-]N=N1)C1=CC=C(F)C2=C1CC[NH2+]C2	REAL250004670166	1	30	0.0	-65.73	248.26	3.89	-61.84
C[NH2+]CC1=C(C)C=C(C(=O)NC2=NN=N[N-]2)C=C1C	REAL250004670167	0	35	0.0	-78.86	283.04	4.76	-74.10
C[NH2+]CC1=C(C)C=C(C(=O)NC2=N[N-]N=N2)C=C1C	REAL250004670167	1	35	0.0	-78.80	283.13	4.75	-74.05
O=C(NC1=N[N-]N=N1)C1COC2(C1)CC[NH2+]CC2	REAL250004670168	0	34	0.0	-65.38	263.63	1.69	-63.69
O=C(NC1=NN=N[N-]1)C1COC2(C1)CC[NH2+]CC2	REAL250004670168	1	34	0.0	-65.46	263.54	1.71	-63.75
O=C(CC1CC[NH2+]CCC1(F)F)NC1=N[N-]N=N1	REAL250004670169	0	32	0.0	-62.32	248.19	2.87	-59.45
O=C(CC1CC[NH2+]CCC1(F)F)NC1=NN=N[N-]1	REAL250004670169	1	32	0.0	-62.40	248.09	2.88	-59.52
C[NH2+]CC1=CC=CC(OCC(=O)NC2=N[N-]N=N2)=C1	REAL250004670170	0	33	0.0	-72.10	283.62	4.23	-67.87
C[NH2+]CC1=CC=CC(OCC(=O)NC2=NN=N[N-]2)=C1	REAL250004670170	1	33	0.0	-72.22	283.53	4.24	-67.98
CC1(C)C(C[NH3+])CC(C(=O)NC2=N[N-]N=N2)S1(=O)=O	REAL250004670171	0	35	0.0	-102.98	284.82	-0.23	-103.21
CC1(C)C(C[NH3+])CC(C(=O)NC2=NN=N[N-]2)S1(=O)=O	REAL250004670171	1	35	0.0	-103.06	284.72	-0.22	-103.28
[NH3+]C(C(=O)NC1=N[N-]N=N1)C1(C(F)(F)F)CCC1	REAL250004670173	0	29	0.0	-66.15	239.91	1.59	-64.56
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1(C(F)(F)F)CCC1	REAL250004670173	1	29	0.0	-66.23	239.82	1.60	-64.63
O=C(NC1=N[N-]N=N1)[C@H]1C[NH2+]C[C@@H]1C1=CC=CC=C1	REAL250004670175	0	33	0.0	-68.04	270.71	4.32	-63.72
O=C(NC1=NN=N[N-]1)[C@H]1C[NH2+]C[C@@H]1C1=CC=CC=C1	REAL250004670175	1	33	0.0	-68.12	270.63	4.34	-63.78
O=C(NC1=N[N-]N=N1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1	REAL250004670177	0	33	0.0	-71.32	277.15	4.39	-66.93
O=C(NC1=NN=N[N-]1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1	REAL250004670177	1	33	0.0	-71.37	277.06	4.41	-66.96
O=C(NC1=N[N-]N=N1)[C@@]12CCCC[C@H]1[NH2+]CCC2	REAL250004670178	0	36	0.0	-56.13	259.07	3.92	-52.21
O=C(NC1=NN=N[N-]1)[C@@]12CCCC[C@H]1[NH2+]CCC2	REAL250004670178	1	36	0.0	-56.19	258.97	3.93	-52.26
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)NC1=N[N-]N=N1	REAL250004670179	0	32	0.0	-64.13	268.44	3.24	-60.89
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)NC1=NN=N[N-]1	REAL250004670179	1	32	0.0	-64.21	268.34	3.27	-60.94
CC1=C(C(=O)NC2=N[N-]N=N2)SC(CC[NH3+])=N1	REAL250004670180	0	28	0.0	-81.20	254.54	0.41	-80.79
CC1=C(C(=O)NC2=NN=N[N-]2)SC(CC[NH3+])=N1	REAL250004670180	1	28	0.0	-81.29	254.44	0.42	-80.87
O=C(CC1C[NH2+]C2(C1)CCOCC2)NC1=N[N-]N=N1	REAL250004670181	0	37	0.0	-59.52	282.44	2.40	-57.12
O=C(CC1C[NH2+]C2(C1)CCOCC2)NC1=NN=N[N-]1	REAL250004670181	1	37	0.0	-59.59	282.35	2.41	-57.18
O=C(NC1=N[N-]N=N1)C1(C(F)(F)F)CCC[NH2+]C1	REAL250004670182	0	29	0.0	-54.54	237.82	2.67	-51.87
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CCC[NH2+]C1	REAL250004670182	1	29	0.0	-54.66	237.73	2.69	-51.97
[NH3+]C1CCN(C2=CC(C(=O)NC3=NN=N[N-]3)=CC=N2)CC1	REAL250004670183	0	37	0.0	-77.50	297.40	1.73	-75.77
[NH3+]C1CCN(C2=CC(C(=O)NC3=N[N-]N=N3)=CC=N2)CC1	REAL250004670183	1	37	0.0	-77.43	297.49	1.71	-75.72
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)NC1=N[N-]N=N1	REAL250004670184	0	36	0.0	-72.03	290.67	5.44	-66.59
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)NC1=NN=N[N-]1	REAL250004670184	1	36	0.0	-72.19	290.58	5.45	-66.74
CC1=CC=C(CC(C[NH3+])C(=O)NC2=N[N-]N=N2)C=C1	REAL250004670185	0	35	0.0	-60.84	283.44	3.86	-56.98
CC1=CC=C(CC(C[NH3+])C(=O)NC2=NN=N[N-]2)C=C1	REAL250004670185	1	35	0.0	-60.89	283.35	3.87	-57.02
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)NC1=N[N-]N=N1	REAL250004670186	0	32	0.0	-58.13	275.20	2.96	-55.17
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)NC1=NN=N[N-]1	REAL250004670186	1	32	0.0	-58.22	275.11	2.98	-55.24
O=C(NC1=N[N-]N=N1)C1(CC2=CC=CC=C2)CC[NH2+]CC1	REAL250004670187	0	39	0.0	-72.86	299.97	5.38	-67.48
O=C(NC1=NN=N[N-]1)C1(CC2=CC=CC=C2)CC[NH2+]CC1	REAL250004670187	1	39	0.0	-73.02	299.87	5.39	-67.63
O=C(NC1=N[N-]N=N1)[C@@H]1C[NH2+]C[C@H]1CC(F)(F)F	REAL250004670188	0	29	0.0	-72.19	250.42	2.44	-69.75
O=C(NC1=NN=N[N-]1)[C@@H]1C[NH2+]C[C@H]1CC(F)(F)F	REAL250004670188	1	29	0.0	-72.28	250.33	2.45	-69.83
O=C(CC12CCCCC1[NH2+]CCC2)NC1=N[N-]N=N1	REAL250004670189	0	39	0.0	-72.72	272.65	4.31	-68.41
O=C(CC12CCCCC1[NH2+]CCC2)NC1=NN=N[N-]1	REAL250004670189	1	39	0.0	-72.81	272.56	4.32	-68.49
O=C(NC1=N[N-]N=N1)C1=CSC(CC2CCC[NH2+]C2)=N1	REAL250004670191	0	35	0.0	-65.32	297.74	3.19	-62.13
O=C(NC1=NN=N[N-]1)C1=CSC(CC2CCC[NH2+]C2)=N1	REAL250004670191	1	35	0.0	-65.39	297.64	3.22	-62.17
CC1=C(C(=O)NC2=N[N-]N=N2)SC(CC2CC[NH2+]C2)=N1	REAL250004670192	0	35	0.0	-70.05	299.27	3.21	-66.84
CC1=C(C(=O)NC2=NN=N[N-]2)SC(CC2CC[NH2+]C2)=N1	REAL250004670192	1	35	0.0	-70.14	299.16	3.22	-66.92
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)NC1=N[N-]N=N1	REAL250004670193	0	32	0.0	-62.73	273.19	1.20	-61.53
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)NC1=NN=N[N-]1	REAL250004670193	1	32	0.0	-62.87	273.10	1.22	-61.65
[NH3+]CCCCC(CC(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL250004670195	0	34	0.0	-80.27	282.45	2.40	-77.87
[NH3+]CCCCC(CC(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL250004670195	1	34	0.0	-80.37	282.36	2.42	-77.95
O=C(NC1=N[N-]N=N1)C1C[NH2+]C2(C1)CCOCC2	REAL250004670196	0	34	0.0	-68.38	260.39	1.63	-66.75
O=C(NC1=NN=N[N-]1)C1C[NH2+]C2(C1)CCOCC2	REAL250004670196	1	34	0.0	-68.47	260.30	1.64	-66.83
[NH3+]C1CC2(C1)CC1(CC(C(=O)NC3=N[N-]N=N3)C1)C2	REAL250004670198	0	37	0.0	-78.96	295.64	3.75	-75.21
[NH3+]C1CC2(C1)CC1(CC(C(=O)NC3=NN=N[N-]3)C1)C2	REAL250004670198	1	37	0.0	-79.05	295.55	3.76	-75.29
[NH3+]C(C(=O)NC1=N[N-]N=N1)C12CC3CC(CC(C3)C1)C2	REAL250004670199	0	40	0.0	-66.51	280.67	4.09	-62.42
[NH3+]C(C(=O)NC1=NN=N[N-]1)C12CC3CC(CC(C3)C1)C2	REAL250004670199	1	40	0.0	-66.66	280.58	4.10	-62.56
[NH3+]C[C@]1(C(=O)NC2=N[N-]N=N2)C[C@@H]1C(F)(F)F	REAL250004670200	0	26	0.0	-56.90	230.96	1.02	-55.88
[NH3+]C[C@]1(C(=O)NC2=NN=N[N-]2)C[C@@H]1C(F)(F)F	REAL250004670200	1	26	0.0	-57.00	230.87	1.03	-55.97
COC1=CC=C(CC([NH3+])C(=O)NC2=N[N-]N=N2)C=C1OC	REAL250004670201	0	37	0.0	-62.62	307.69	1.81	-60.81
COC1=CC=C(CC([NH3+])C(=O)NC2=NN=N[N-]2)C=C1OC	REAL250004670201	1	37	0.0	-62.74	307.59	1.83	-60.91
COC1=CC=C(C([NH3+])CC(=O)NC2=NN=N[N-]2)C=N1	REAL250004670202	0	32	0.0	-60.18	272.35	-0.58	-60.76
COC1=CC=C(C([NH3+])CC(=O)NC2=N[N-]N=N2)C=N1	REAL250004670202	1	32	0.0	-60.08	272.44	-0.59	-60.67
N#CC1=CC=CC(CC([NH3+])C(=O)NC2=N[N-]N=N2)=C1	REAL250004670203	0	30	0.0	-64.94	269.80	2.99	-61.95
N#CC1=CC=CC(CC([NH3+])C(=O)NC2=NN=N[N-]2)=C1	REAL250004670203	1	30	0.0	-65.02	269.71	3.01	-62.01
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)NC2=N[N-]N=N2)C=C1	REAL250004670204	0	35	0.0	-65.42	303.74	3.27	-62.15
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)NC2=NN=N[N-]2)C=C1	REAL250004670204	1	35	0.0	-65.51	303.64	3.28	-62.23
[NH3+]C1(C(=O)NC2=N[N-]N=N2)C2CC3CC(C2)CC1C3	REAL250004670205	0	37	0.0	-65.31	257.05	3.10	-62.21
[NH3+]C1(C(=O)NC2=NN=N[N-]2)C2CC3CC(C2)CC1C3	REAL250004670205	1	37	0.0	-65.42	256.96	3.13	-62.29
CC(C)(C)C1CCC(C(=O)NC2=NN=N[N-]2)[NH2+]C1	REAL250004670206	0	38	0.0	-54.16	280.38	3.88	-50.28
CS(=O)(=O)[C@H]1C[NH2+][C@H](C(=O)NC2=NN=N[N-]2)C1	REAL250004670207	0	29	0.0	-71.54	254.79	-1.59	-73.13
O=C(NC1=NN=N[N-]1)C1=CC(=O)NC2=C1C[NH2+]CC2	REAL250004670208	0	30	0.0	-70.01	247.91	0.66	-69.35
O=C(NC1=N[N-]N=N1)C1=CC(=O)NC2=C1C[NH2+]CC2	REAL250004670208	1	30	0.0	-69.91	248.01	0.65	-69.26
CCCC(NC(=O)C1C[NH2+]CC12CC2)C1=N[N-]N=N1	REAL250004670209	0	39	0.0	-68.97	311.10	1.82	-67.15
CCCC(NC(=O)C1C[NH2+]CC12CC2)C1=NN=N[N-]1	REAL250004670209	1	39	0.0	-68.96	311.15	1.84	-67.12
CCCC(NC(=O)C1=CN(CCC[NH3+])N=N1)C1=NN=N[N-]1	REAL250004670210	0	40	0.0	-80.28	337.93	-1.06	-81.34
CCCC(NC(=O)C1=CN(CCC[NH3+])N=N1)C1=N[N-]N=N1	REAL250004670210	1	40	0.0	-80.26	337.87	-1.08	-81.34
CCCC(NC(=O)C1CCC[NH2+]C1C)C1=N[N-]N=N1	REAL250004670213	0	41	0.0	-64.52	314.84	2.09	-62.43
CCCC(NC(=O)C1CCC[NH2+]C1C)C1=NN=N[N-]1	REAL250004670213	1	41	0.0	-64.56	314.90	2.10	-62.46
CCCC(NC(=O)C1CC2CCC1[NH2+]C2)C1=N[N-]N=N1	REAL250004670214	0	42	0.0	-45.60	315.94	2.65	-42.95
CCCC(NC(=O)C1CC2CCC1[NH2+]C2)C1=NN=N[N-]1	REAL250004670214	1	42	0.0	-45.61	315.99	2.67	-42.94
CCCC(NC(=O)CC1(C[NH3+])CC1)C1=N[N-]N=N1	REAL250004670215	0	38	0.0	-74.37	306.53	0.75	-73.62
CCCC(NC(=O)CC1(C[NH3+])CC1)C1=NN=N[N-]1	REAL250004670215	1	38	0.0	-74.38	306.58	0.76	-73.62
CCCC(NC(=O)C1=CC=C(C(C)[NH3+])C=C1)C1=N[N-]N=N1	REAL250004670216	0	41	0.0	-82.94	332.79	2.38	-80.56
CCCC(NC(=O)C1=CC=C(C(C)[NH3+])C=C1)C1=NN=N[N-]1	REAL250004670216	1	41	0.0	-82.92	332.84	2.39	-80.53
CCCC(NC(=O)C([NH3+])CCCC#N)C1=N[N-]N=N1	REAL250004670217	0	38	0.0	-67.87	318.69	0.71	-67.16
CCCC(NC(=O)C([NH3+])CCCC#N)C1=NN=N[N-]1	REAL250004670217	1	38	0.0	-67.88	318.75	0.73	-67.15
CCCC(NC(=O)CC1CCC[NH2+]C1)C1=N[N-]N=N1	REAL250004670218	0	41	0.0	-68.40	317.10	2.16	-66.24
CCCC(NC(=O)CC1CCC[NH2+]C1)C1=NN=N[N-]1	REAL250004670218	1	41	0.0	-68.42	317.16	2.18	-66.24
CCCC(NC(=O)CC[NH2+]C1CC1)C1=N[N-]N=N1	REAL250004670219	0	38	0.0	-62.06	311.76	2.10	-59.96
CCCC(NC(=O)CC[NH2+]C1CC1)C1=NN=N[N-]1	REAL250004670219	1	38	0.0	-62.03	311.81	2.11	-59.92
CCCC(NC(=O)C1CC12CCC[NH2+]C2)C1=N[N-]N=N1	REAL250004670220	0	42	0.0	-43.47	328.91	2.76	-40.71
CCCC(NC(=O)C1CC12CCC[NH2+]C2)C1=NN=N[N-]1	REAL250004670220	1	42	0.0	-43.48	328.97	2.78	-40.70
CCCC(NC(=O)C([NH3+])CCCCC#N)C1=N[N-]N=N1	REAL250004670221	0	41	0.0	-76.53	340.21	1.49	-75.04
CCCC(NC(=O)C([NH3+])CCCCC#N)C1=NN=N[N-]1	REAL250004670221	1	41	0.0	-76.56	340.27	1.51	-75.05
CCCC(NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1=N[N-]N=N1	REAL250004670222	0	41	0.0	-77.79	320.82	1.21	-76.58
CCCC(NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1=NN=N[N-]1	REAL250004670222	1	41	0.0	-77.79	320.88	1.22	-76.57
CCCC(NC(=O)C#CC1CC[NH2+]CC1)C1=N[N-]N=N1	REAL250004670223	0	40	0.0	-78.29	328.18	2.85	-75.44
CCCC(NC(=O)C#CC1CC[NH2+]CC1)C1=NN=N[N-]1	REAL250004670223	1	40	0.0	-78.32	328.24	2.88	-75.44
CCCC(NC(=O)C1CC2C=CC1[NH2+]C2)C1=N[N-]N=N1	REAL250004670224	0	40	0.0	-64.47	311.36	2.22	-62.25
CCCC(NC(=O)C1CC2C=CC1[NH2+]C2)C1=NN=N[N-]1	REAL250004670224	1	40	0.0	-64.50	311.41	2.23	-62.27
CCCC(NC(=O)C1CCC[NH2+]CC1)C1=N[N-]N=N1	REAL250004670225	0	41	0.0	-76.53	309.63	1.92	-74.61
CCCC(NC(=O)C1CCC[NH2+]CC1)C1=NN=N[N-]1	REAL250004670225	1	41	0.0	-76.54	309.69	1.94	-74.60
CCCC(NC(=O)C(N)CC[NH+](C)C)C1=N[N-]N=N1	REAL250004670226	0	42	0.0	-65.10	333.18	0.43	-64.67
CCCC(NC(=O)C(N)CC[NH+](C)C)C1=NN=N[N-]1	REAL250004670226	1	42	0.0	-65.15	333.24	0.44	-64.71
CCCC(NC(=O)C1=CC2=C(C[NH2+]C2)S1)C1=NN=N[N-]1	REAL250004670227	0	36	0.0	-79.38	310.76	2.07	-77.31
CCCC(NC(=O)C[C@H]1CC[NH2+]C1)C1=N[N-]N=N1	REAL250004670228	0	38	0.0	-68.19	301.06	1.48	-66.71
CCCC(NC(=O)C[C@H]1CC[NH2+]C1)C1=NN=N[N-]1	REAL250004670228	1	38	0.0	-68.19	301.12	1.50	-66.69
CCCC(NC(=O)C[C@@H](C[NH3+])CC(C)C)C1=N[N-]N=N1	REAL250004670229	0	46	0.0	-70.91	346.46	2.10	-68.81
CCCC(NC(=O)C[C@@H](C[NH3+])CC(C)C)C1=NN=N[N-]1	REAL250004670229	1	46	0.0	-70.87	346.52	2.12	-68.75
CCCC(NC(=O)C1C[NH2+]CCN1C)C1=N[N-]N=N1	REAL250004670230	0	40	0.0	-74.84	312.39	-0.98	-75.82
CCCC(NC(=O)C1C[NH2+]CCN1C)C1=NN=N[N-]1	REAL250004670230	1	40	0.0	-74.83	312.45	-0.97	-75.80
CCCC(NC(=O)C([NH3+])CCC(C)C)C1=N[N-]N=N1	REAL250004670231	0	43	0.0	-63.21	336.92	1.49	-61.72
CCCC(NC(=O)C([NH3+])CCC(C)C)C1=NN=N[N-]1	REAL250004670231	1	43	0.0	-63.18	336.98	1.50	-61.68
CCCC(NC(=O)C1=CCC([NH3+])C1)C1=N[N-]N=N1	REAL250004670233	0	36	0.0	-82.72	294.18	0.47	-82.25
CCCC(NC(=O)C1=CCC([NH3+])C1)C1=NN=N[N-]1	REAL250004670233	1	36	0.0	-82.71	294.24	0.49	-82.22
CCCC(NC(=O)C1CCCC[NH2+]C1)C1=N[N-]N=N1	REAL250004670234	0	41	0.0	-60.65	309.42	1.99	-58.66
CCCC(NC(=O)C1CCCC[NH2+]C1)C1=NN=N[N-]1	REAL250004670234	1	41	0.0	-60.66	309.48	2.00	-58.66
CCCC(NC(=O)[C@@H]([NH3+])COC(C)C)C1=NN=N[N-]1	REAL250004670235	0	41	0.0	-52.66	332.99	-0.52	-53.18
CCCC(NC(=O)C1=CN(CC[NH3+])N=N1)C1=NN=N[N-]1	REAL250004670236	0	37	0.0	-83.66	316.43	-1.82	-85.48
CCCC(NC(=O)C1=CN(CC[NH3+])N=N1)C1=N[N-]N=N1	REAL250004670236	1	37	0.0	-83.68	316.37	-1.84	-85.52
CCCC(NC(=O)C([NH3+])CC1=NNC=C1)C1=N[N-]N=N1	REAL250004670237	0	38	0.0	-51.49	314.45	-0.84	-52.33
CCCC(NC(=O)C([NH3+])CC1=NNC=C1)C1=NN=N[N-]1	REAL250004670237	1	38	0.0	-51.51	314.50	-0.83	-52.34
CCCC(NC(=O)C[C@@H]1CCC[NH2+]C1)C1=N[N-]N=N1	REAL250004670238	0	41	0.0	-71.34	317.09	2.16	-69.18
CCCC(NC(=O)C[C@@H]1CCC[NH2+]C1)C1=NN=N[N-]1	REAL250004670238	1	41	0.0	-71.32	317.14	2.18	-69.14
CCCC(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]21)C1=N[N-]N=N1	REAL250004670239	0	39	0.0	-74.88	306.45	1.80	-73.08
CCCC(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]21)C1=NN=N[N-]1	REAL250004670239	1	39	0.0	-74.88	306.51	1.82	-73.06
CCCC(NC(=O)[C@H]1OCC[C@H]1C[NH3+])C1=N[N-]N=N1	REAL250004670240	0	39	0.0	-84.15	303.00	0.00	-84.15
CCCC(NC(=O)[C@H]1OCC[C@H]1C[NH3+])C1=NN=N[N-]1	REAL250004670240	1	39	0.0	-84.17	303.05	0.03	-84.14
CCCC(NC(=O)CCC1CCC[NH2+]C1)C1=N[N-]N=N1	REAL250004670241	0	44	0.0	-70.57	339.36	2.85	-67.72
CCCC(NC(=O)CCC1CCC[NH2+]C1)C1=NN=N[N-]1	REAL250004670241	1	44	0.0	-70.58	339.41	2.86	-67.72
CCCC(NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C1=N[N-]N=N1	REAL250004670242	0	41	0.0	-78.93	319.04	1.11	-77.82
CCCC(NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C1=NN=N[N-]1	REAL250004670242	1	41	0.0	-78.91	319.10	1.13	-77.78
CCCC(NC(=O)C(F)C1CC[NH2+]C1)C1=N[N-]N=N1	REAL250004670244	0	38	0.0	-71.68	304.96	1.44	-70.24
CCCC(NC(=O)C(F)C1CC[NH2+]C1)C1=NN=N[N-]1	REAL250004670244	1	38	0.0	-71.66	305.02	1.45	-70.21
C=C(Cl)CC([NH3+])C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004670245	0	35	0.0	-52.67	304.88	0.52	-52.15
C=C(Cl)CC([NH3+])C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004670245	1	35	0.0	-52.73	304.94	0.54	-52.19
CCCC(NC(=O)CC1(O)CCC[NH2+]C1)C1=N[N-]N=N1	REAL250004670246	0	42	0.0	-64.58	321.35	0.25	-64.33
CCCC(NC(=O)CC1(O)CCC[NH2+]C1)C1=NN=N[N-]1	REAL250004670246	1	42	0.0	-64.54	321.41	0.26	-64.28
CCCC(NC(=O)C=CC1CCC[NH2+]C1)C1=N[N-]N=N1	REAL250004670247	0	42	0.0	-74.53	334.24	2.80	-71.73
CCCC(NC(=O)C=CC1CCC[NH2+]C1)C1=NN=N[N-]1	REAL250004670247	1	42	0.0	-74.50	334.30	2.81	-71.69
CCCC(NC(=O)C1=C(C)C=C(C[NH3+])O1)C1=N[N-]N=N1	REAL250004670248	0	38	0.0	-78.80	317.74	0.54	-78.26
CCCC(NC(=O)C1=C(C)C=C(C[NH3+])O1)C1=NN=N[N-]1	REAL250004670248	1	38	0.0	-78.79	317.80	0.55	-78.24
CCCC(NC(=O)C1=CN=C(C[NH3+])N=C1)C1=N[N-]N=N1	REAL250004670249	0	36	0.0	-71.49	305.47	-1.12	-72.61
CCCC(NC(=O)C1=CN=C(C[NH3+])N=C1)C1=NN=N[N-]1	REAL250004670249	1	36	0.0	-71.47	305.52	-1.10	-72.57
CCCC(NC(=O)C1CC([NH2+]C)C1)C1=N[N-]N=N1	REAL250004670251	0	38	0.0	-67.89	305.72	1.63	-66.26
CCCC(NC(=O)C1CC([NH2+]C)C1)C1=NN=N[N-]1	REAL250004670251	1	38	0.0	-67.87	305.77	1.64	-66.23
CCCC(NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1=N[N-]N=N1	REAL250004670252	0	41	0.0	-62.24	312.51	0.94	-61.30
CCCC(NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1=NN=N[N-]1	REAL250004670252	1	41	0.0	-62.26	312.57	0.95	-61.31
CCCC(NC(=O)CC[NH2+]CC1CC1)C1=N[N-]N=N1	REAL250004670253	0	41	0.0	-64.11	333.45	2.94	-61.17
CCCC(NC(=O)CC[NH2+]CC1CC1)C1=NN=N[N-]1	REAL250004670253	1	41	0.0	-64.12	333.50	2.96	-61.16
CCCC(NC(=O)CCC12CC(C1)C[NH2+]2)C1=N[N-]N=N1	REAL250004670254	0	42	0.0	-63.36	331.44	2.70	-60.66
CCCC(NC(=O)CCC12CC(C1)C[NH2+]2)C1=NN=N[N-]1	REAL250004670254	1	42	0.0	-63.34	331.50	2.72	-60.62
CCCC(NC(=O)CN1CC[NH2+]CC1)C1=N[N-]N=N1	REAL250004670255	0	40	0.0	-64.53	312.84	-0.67	-65.20
CCCC(NC(=O)CN1CC[NH2+]CC1)C1=NN=N[N-]1	REAL250004670255	1	40	0.0	-64.55	312.89	-0.65	-65.20
CCCC(NC(=O)C[C@H]1CCCC[C@H]1[NH3+])C1=N[N-]N=N1	REAL250004670256	0	44	0.0	-80.72	327.10	1.65	-79.07
CCCC(NC(=O)C[C@H]1CCCC[C@H]1[NH3+])C1=NN=N[N-]1	REAL250004670256	1	44	0.0	-80.75	327.16	1.66	-79.09
CCCC(NC(=O)C([NH3+])CC1OCCO1)C1=N[N-]N=N1	REAL250004670257	0	40	0.0	-58.65	321.80	-1.28	-59.93
CCCC(NC(=O)C([NH3+])CC1OCCO1)C1=NN=N[N-]1	REAL250004670257	1	40	0.0	-58.66	321.86	-1.25	-59.91
CCCC(NC(=O)[C@@H]1[C@H]2C[C@@H]1[NH2+]C2)C1=N[N-]N=N1	REAL250004670259	0	36	0.0	-57.95	285.00	1.28	-56.67
CCCC(NC(=O)[C@@H]1[C@H]2C[C@@H]1[NH2+]C2)C1=NN=N[N-]1	REAL250004670259	1	36	0.0	-57.99	285.06	1.29	-56.70
CCCC(NC(=O)C([NH3+])CCOC)C1=N[N-]N=N1	REAL250004670260	0	38	0.0	-65.66	310.03	-1.51	-67.17
CCCC(NC(=O)C([NH3+])CCOC)C1=NN=N[N-]1	REAL250004670260	1	38	0.0	-65.65	310.09	-1.50	-67.15
CCCC(NC(=O)C1C[NH2+]CC1(C)C)C1=N[N-]N=N1	REAL250004670261	0	41	0.0	-67.85	315.98	1.67	-66.18
CCCC(NC(=O)C1C[NH2+]CC1(C)C)C1=NN=N[N-]1	REAL250004670261	1	41	0.0	-67.89	316.05	1.67	-66.22
CCCC(NC(=O)[C@H](CC(C)C)[NH2+]C)C1=N[N-]N=N1	REAL250004670263	0	43	0.0	-55.43	327.32	2.33	-53.10
CCCC(NC(=O)[C@H](CC(C)C)[NH2+]C)C1=NN=N[N-]1	REAL250004670263	1	43	0.0	-55.49	327.38	2.34	-53.15
CCCC(NC(=O)C12CC(C[NH3+])(C1)C2)C1=N[N-]N=N1	REAL250004670267	0	39	0.0	-84.68	316.75	1.18	-83.50
CCCC(NC(=O)C12CC(C[NH3+])(C1)C2)C1=NN=N[N-]1	REAL250004670267	1	39	0.0	-84.71	316.81	1.20	-83.51
CCCC(NC(=O)C1CC([NH3+])C1(C)C)C1=N[N-]N=N1	REAL250004670268	0	41	0.0	-70.54	317.99	0.99	-69.55
CCCC(NC(=O)C1CC([NH3+])C1(C)C)C1=NN=N[N-]1	REAL250004670268	1	41	0.0	-70.56	318.05	1.00	-69.56
CCCC(NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C1=N[N-]N=N1	REAL250004670269	0	41	0.0	-70.57	312.51	0.97	-69.60
CCCC(NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C1=NN=N[N-]1	REAL250004670269	1	41	0.0	-70.55	312.57	0.98	-69.57
CCCC(NC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F)C1=N[N-]N=N1	REAL250004670270	0	35	0.0	-68.58	296.19	0.20	-68.38
CCCC(NC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F)C1=NN=N[N-]1	REAL250004670270	1	35	0.0	-68.55	296.25	0.22	-68.33
CCCC(NC(=O)[C@@]12CCC[C@@H]1[NH2+]CC2)C1=N[N-]N=N1	REAL250004670271	0	42	0.0	-68.39	321.01	2.47	-65.92
CCCC(NC(=O)[C@@]12CCC[C@@H]1[NH2+]CC2)C1=NN=N[N-]1	REAL250004670271	1	42	0.0	-68.46	321.06	2.49	-65.97
CCCC(NC(=O)C([NH3+])CC1CC1)C1=N[N-]N=N1	REAL250004670273	0	38	0.0	-56.64	307.79	0.98	-55.66
CCCC(NC(=O)C([NH3+])CC1CC1)C1=NN=N[N-]1	REAL250004670273	1	38	0.0	-56.65	307.85	1.00	-55.65
CCCC(NC(=O)C1=NN(CCC[NH3+])C=C1)C1=NN=N[N-]1	REAL250004670274	0	41	0.0	-82.53	342.22	0.41	-82.12
CCCC(NC(=O)C1=NN(CCC[NH3+])C=C1)C1=N[N-]N=N1	REAL250004670274	1	41	0.0	-82.49	342.17	0.39	-82.10
CCCC(NC(=O)C1[C@@H]2C[NH2+]CC[C@H]12)C1=N[N-]N=N1	REAL250004670275	0	39	0.0	-75.18	307.73	2.23	-72.95
CCCC(NC(=O)C1[C@@H]2C[NH2+]CC[C@H]12)C1=NN=N[N-]1	REAL250004670275	1	39	0.0	-75.18	307.78	2.25	-72.93
CCCC(NC(=O)CC1CC([NH3+])C1)C1=N[N-]N=N1	REAL250004670276	0	38	0.0	-71.00	304.84	0.58	-70.42
CCCC(NC(=O)CC1CC([NH3+])C1)C1=NN=N[N-]1	REAL250004670276	1	38	0.0	-71.02	304.89	0.60	-70.42
CCCC(NC(=O)CCCC[NH2+]C)C1=N[N-]N=N1	REAL250004670278	0	40	0.0	-68.79	323.08	2.12	-66.67
CCCC(NC(=O)CCCC[NH2+]C)C1=NN=N[N-]1	REAL250004670278	1	40	0.0	-68.81	323.14	2.13	-66.68
CCCC(NC(=O)[C@H]([NH3+])CCSC)C1=N[N-]N=N1	REAL250004670279	0	38	0.0	-59.77	321.09	0.65	-59.12
CCCC(NC(=O)[C@H]([NH3+])CCSC)C1=NN=N[N-]1	REAL250004670279	1	38	0.0	-59.81	321.15	0.67	-59.14
CCCC(NC(=O)C(C)C(O)C[NH2+]C)C1=N[N-]N=N1	REAL250004670280	0	41	0.0	-69.99	323.36	-0.29	-70.28
CCCC(NC(=O)C(C)C(O)C[NH2+]C)C1=NN=N[N-]1	REAL250004670280	1	41	0.0	-70.04	323.42	-0.27	-70.31
CCCC(NC(=O)C1=CSC(C(C)[NH3+])=N1)C1=N[N-]N=N1	REAL250004670281	1	37	0.0	-80.86	322.52	-0.63	-81.49
CCCC(NC(=O)C1=CSC(C(C)[NH3+])=N1)C1=NN=N[N-]1	REAL250004670281	1	37	0.0	-80.91	322.58	-0.61	-81.52
CCCC(NC(=O)C1=CCC[NH2+]CC1)C1=N[N-]N=N1	REAL250004670282	0	39	0.0	-74.51	303.33	2.19	-72.32
CCCC(NC(=O)C1=CCC[NH2+]CC1)C1=NN=N[N-]1	REAL250004670282	1	39	0.0	-74.51	303.39	2.21	-72.30
CCCC(NC(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1=N[N-]N=N1	REAL250004670285	0	39	0.0	-66.24	299.77	1.56	-64.68
CCCC(NC(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1=NN=N[N-]1	REAL250004670285	1	39	0.0	-66.22	299.83	1.58	-64.64
CCCC(NC(=O)CCSCCC[NH3+])C1=N[N-]N=N1	REAL250004670286	0	41	0.0	-75.13	346.05	1.61	-73.52
CCCC(NC(=O)CCSCCC[NH3+])C1=NN=N[N-]1	REAL250004670286	1	41	0.0	-75.17	346.11	1.63	-73.54
CCCC(NC(=O)C[C@@H]([NH3+])CCSC)C1=N[N-]N=N1	REAL250004670287	0	41	0.0	-60.79	338.68	1.55	-59.24
CCCC(NC(=O)C[C@@H]([NH3+])CCSC)C1=NN=N[N-]1	REAL250004670287	1	41	0.0	-60.79	338.74	1.56	-59.23
CCCC(NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1=N[N-]N=N1	REAL250004670288	0	41	0.0	-68.87	319.05	1.10	-67.77
CCCC(NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1=NN=N[N-]1	REAL250004670288	1	41	0.0	-68.88	319.10	1.12	-67.76
CCCC(NC(=O)[C@@H]1CC[NH2+][C@H](C)C1)C1=N[N-]N=N1	REAL250004670289	0	41	0.0	-66.87	319.46	2.17	-64.70
CCCC(NC(=O)[C@@H]1CC[NH2+][C@H](C)C1)C1=NN=N[N-]1	REAL250004670289	1	41	0.0	-66.89	319.52	2.19	-64.70
CCCC(NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)C1=N[N-]N=N1	REAL250004670291	0	41	0.0	-64.13	321.16	1.96	-62.17
CCCC(NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)C1=NN=N[N-]1	REAL250004670291	1	41	0.0	-64.13	321.21	1.97	-62.16
C=CCCCC([NH3+])C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004670293	0	41	0.0	-63.24	332.17	1.53	-61.71
C=CCCCC([NH3+])C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004670293	1	41	0.0	-63.23	332.23	1.55	-61.68
CCCC(NC(=O)CC(C)(C)C[NH3+])C1=N[N-]N=N1	REAL250004670294	0	40	0.0	-72.87	304.79	0.67	-72.20
CCCC(NC(=O)CC(C)(C)C[NH3+])C1=NN=N[N-]1	REAL250004670294	1	40	0.0	-72.87	304.85	0.69	-72.18
CCCC(NC(=O)C([NH3+])CC(C)CC)C1=N[N-]N=N1	REAL250004670297	0	43	0.0	-61.72	333.24	1.36	-60.36
CCCC(NC(=O)C([NH3+])CC(C)CC)C1=NN=N[N-]1	REAL250004670297	1	43	0.0	-61.72	333.30	1.37	-60.35
CCCC(NC(=O)CC([NH3+])C(C)(C)C)C1=N[N-]N=N1	REAL250004670298	0	43	0.0	-47.86	323.99	1.32	-46.54
CCCC(NC(=O)CC([NH3+])C(C)(C)C)C1=NN=N[N-]1	REAL250004670298	1	43	0.0	-47.86	324.05	1.33	-46.53
CCCC(NC(=O)CC([NH3+])C1CCOCC1)C1=N[N-]N=N1	REAL250004670299	0	45	0.0	-51.71	340.19	0.41	-51.30
CCCC(NC(=O)CC([NH3+])C1CCOCC1)C1=NN=N[N-]1	REAL250004670299	1	45	0.0	-51.76	340.25	0.43	-51.33
CCCC(NC(=O)C[C@H]([NH3+])CCC)C1=N[N-]N=N1	REAL250004670300	0	40	0.0	-50.25	315.45	1.08	-49.17
CCCC(NC(=O)C[C@H]([NH3+])CCC)C1=NN=N[N-]1	REAL250004670300	1	40	0.0	-50.27	315.50	1.10	-49.17
CCCC(NC(=O)CC([NH3+])C1CCCCC1)C1=N[N-]N=N1	REAL250004670301	0	47	0.0	-49.66	349.31	2.81	-46.85
CCCC(NC(=O)CC([NH3+])C1CCCCC1)C1=NN=N[N-]1	REAL250004670301	1	47	0.0	-49.65	349.37	2.82	-46.83
CCCC(NC(=O)C[C@H]1CCC[NH2+]1)C1=N[N-]N=N1	REAL250004670302	0	38	0.0	-54.81	300.96	1.65	-53.16
CCCC(NC(=O)C[C@H]1CCC[NH2+]1)C1=NN=N[N-]1	REAL250004670302	1	38	0.0	-54.83	301.02	1.66	-53.17
CCCC(NC(=O)C[C@@H]([NH3+])CCC)C1=N[N-]N=N1	REAL250004670303	0	40	0.0	-58.48	315.45	1.08	-57.40
CCCC(NC(=O)C[C@@H]([NH3+])CCC)C1=NN=N[N-]1	REAL250004670303	1	40	0.0	-58.42	315.50	1.10	-57.32
CCCC(NC(=O)C1CC2CC([NH3+])C2C1)C1=N[N-]N=N1	REAL250004670304	0	42	0.0	-71.22	320.74	1.73	-69.49
CCCC(NC(=O)C1CC2CC([NH3+])C2C1)C1=NN=N[N-]1	REAL250004670304	1	42	0.0	-71.24	320.80	1.75	-69.49
CCCC(NC(=O)C[C@@H]1CCCC[NH2+]1)C1=N[N-]N=N1	REAL250004670305	0	41	0.0	-53.54	317.38	2.46	-51.08
CCCC(NC(=O)C[C@@H]1CCCC[NH2+]1)C1=NN=N[N-]1	REAL250004670305	1	41	0.0	-53.54	317.44	2.48	-51.06
CCCC(NC(=O)[C@H]1C[C@@H]([NH3+])[C@@H]2C[C@@H]21)C1=N[N-]N=N1	REAL250004670306	0	39	0.0	-81.86	311.91	1.14	-80.72
CCCC(NC(=O)[C@H]1C[C@@H]([NH3+])[C@@H]2C[C@@H]21)C1=NN=N[N-]1	REAL250004670306	1	39	0.0	-81.87	311.97	1.15	-80.72
CCCC(NC(=O)C1CC12CCC([NH3+])CC2)C1=N[N-]N=N1	REAL250004670307	0	45	0.0	-69.13	349.41	2.39	-66.74
CCCC(NC(=O)C1CC12CCC([NH3+])CC2)C1=NN=N[N-]1	REAL250004670307	1	45	0.0	-69.20	349.46	2.40	-66.80
C=CCCC([NH3+])C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004670308	0	38	0.0	-63.87	310.67	0.75	-63.12
C=CCCC([NH3+])C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004670308	1	38	0.0	-63.91	310.73	0.77	-63.14
CCCC(NC(=O)C([NH3+])CC1=NC=CS1)C1=N[N-]N=N1	REAL250004670309	0	37	0.0	-54.85	321.64	-0.35	-55.20
CCCC(NC(=O)C([NH3+])CC1=NC=CS1)C1=NN=N[N-]1	REAL250004670309	1	37	0.0	-54.86	321.70	-0.33	-55.19
CCCC[C@@H]([NH3+])CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004670310	0	43	0.0	-50.66	336.95	1.86	-48.80
CCCC[C@@H]([NH3+])CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004670310	1	43	0.0	-50.63	337.00	1.88	-48.75
CCCC(NC(=O)C[C@@H]([NH3+])CCC(=O)OC)C1=N[N-]N=N1	REAL250004670311	0	43	0.0	-64.81	349.41	1.13	-63.68
CCCC(NC(=O)C[C@@H]([NH3+])CCC(=O)OC)C1=NN=N[N-]1	REAL250004670311	1	43	0.0	-64.86	349.47	1.14	-63.72
CCCC(NC(=O)C1=CC=C(C[NH3+])S1)C1=N[N-]N=N1	REAL250004670312	0	35	0.0	-82.94	307.68	0.81	-82.13
CCCC(NC(=O)C1=CC=C(C[NH3+])S1)C1=NN=N[N-]1	REAL250004670312	1	35	0.0	-82.95	307.74	0.83	-82.12
CCCC[C@H]([NH3+])CC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004670313	0	43	0.0	-58.87	336.95	1.86	-57.01
CCCC[C@H]([NH3+])CC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004670313	1	43	0.0	-58.86	337.00	1.88	-56.98
CCCC(NC(=O)C(C#N)C1CC[NH2+]CC1)C1=N[N-]N=N1	REAL250004670314	0	42	0.0	-62.79	334.54	2.29	-60.50
CCCC(NC(=O)C(C#N)C1CC[NH2+]CC1)C1=NN=N[N-]1	REAL250004670314	1	42	0.0	-62.77	334.60	2.30	-60.47
CCCC(NC(=O)C1COC(C[NH3+])C1)C1=N[N-]N=N1	REAL250004670315	0	39	0.0	-71.21	312.65	-1.20	-72.41
CCCC(NC(=O)C1COC(C[NH3+])C1)C1=NN=N[N-]1	REAL250004670315	1	39	0.0	-71.26	312.71	-1.19	-72.45
CCCC(NC(=O)C[C@@H]([NH3+])CC(C)C)C1=N[N-]N=N1	REAL250004670316	0	43	0.0	-58.97	332.60	1.60	-57.37
CCCC(NC(=O)C[C@@H]([NH3+])CC(C)C)C1=NN=N[N-]1	REAL250004670316	1	43	0.0	-58.99	332.66	1.61	-57.38
CCCC(NC(=O)C1=CC(C[NH3+])=NN1C)C1=N[N-]N=N1	REAL250004670317	0	38	0.0	-73.95	316.19	-0.69	-74.64
CCCC(NC(=O)C1=CC(C[NH3+])=NN1C)C1=NN=N[N-]1	REAL250004670317	1	38	0.0	-73.99	316.25	-0.67	-74.66
CCCC(NC(=O)CC1=CSC(C[NH3+])=N1)C1=N[N-]N=N1	REAL250004670318	0	37	0.0	-65.80	323.76	-0.45	-66.25
CCCC(NC(=O)CC1=CSC(C[NH3+])=N1)C1=NN=N[N-]1	REAL250004670318	1	37	0.0	-65.83	323.82	-0.44	-66.27
CCCC(NC(=O)[C@H]1CC=C[C@H]([NH3+])C1)C1=N[N-]N=N1	REAL250004670319	0	39	0.0	-54.63	307.36	0.79	-53.84
CCCC(NC(=O)[C@H]1CC=C[C@H]([NH3+])C1)C1=NN=N[N-]1	REAL250004670319	1	39	0.0	-54.63	307.41	0.80	-53.83
CCCC(NC(=O)C1=CN=C(C[NH3+])S1)C1=N[N-]N=N1	REAL250004670320	1	34	0.0	-80.54	302.81	-1.13	-81.67
CCCC(NC(=O)C1=CN=C(C[NH3+])S1)C1=NN=N[N-]1	REAL250004670320	1	34	0.0	-80.53	302.87	-1.12	-81.65
CCCC(NC(=O)C[C@H]([NH3+])CC(C)C)C1=N[N-]N=N1	REAL250004670321	0	43	0.0	-50.61	332.48	1.43	-49.18
CCCC(NC(=O)C[C@H]([NH3+])CC(C)C)C1=NN=N[N-]1	REAL250004670321	1	43	0.0	-50.64	332.53	1.45	-49.19
CCCC(NC(=O)C1=C(C)SC(C[NH3+])=N1)C1=N[N-]N=N1	REAL250004670322	1	37	0.0	-77.66	319.94	-0.49	-78.15
CCCC(NC(=O)C1=C(C)SC(C[NH3+])=N1)C1=NN=N[N-]1	REAL250004670322	1	37	0.0	-77.64	320.00	-0.47	-78.11
CCCC(NC(=O)C1=C2C[NH2+]CCN2N=C1)C1=N[N-]N=N1	REAL250004670323	1	39	0.0	-70.36	316.73	0.58	-69.78
CCCC(NC(=O)C1=C2C[NH2+]CCN2N=C1)C1=NN=N[N-]1	REAL250004670323	1	39	0.0	-70.34	316.79	0.60	-69.74
CCCC(NC(=O)C1=CC[NH2+]CCC1)C1=N[N-]N=N1	REAL250004670324	0	39	0.0	-73.27	303.31	2.05	-71.22
CCCC(NC(=O)C1=CC[NH2+]CCC1)C1=NN=N[N-]1	REAL250004670324	1	39	0.0	-73.27	303.37	2.06	-71.21
CCCC(NC(=O)C[C@@H]([NH3+])C(C)(C)C)C1=N[N-]N=N1	REAL250004670325	0	43	0.0	-56.46	324.00	1.32	-55.14
CCCC(NC(=O)C[C@@H]([NH3+])C(C)(C)C)C1=NN=N[N-]1	REAL250004670325	1	43	0.0	-56.44	324.06	1.32	-55.12
CCCC(NC(=O)C[C@@H]([NH3+])CC(=O)OC)C1=N[N-]N=N1	REAL250004670326	0	40	0.0	-61.79	327.10	0.36	-61.43
CCCC(NC(=O)C[C@@H]([NH3+])CC(=O)OC)C1=NN=N[N-]1	REAL250004670326	1	40	0.0	-61.79	327.16	0.38	-61.41
CCCC(NC(=O)C1(F)CCC[NH2+]C1)C1=N[N-]N=N1	REAL250004670327	0	38	0.0	-59.97	303.20	1.46	-58.51
CCCC(NC(=O)C1(F)CCC[NH2+]C1)C1=NN=N[N-]1	REAL250004670327	1	38	0.0	-59.96	303.25	1.47	-58.49
CCCC(NC(=O)C[C@H]1CCCC[NH2+]1)C1=N[N-]N=N1	REAL250004670328	0	41	0.0	-45.62	317.38	2.46	-43.16
CCCC(NC(=O)C[C@H]1CCCC[NH2+]1)C1=NN=N[N-]1	REAL250004670328	1	41	0.0	-45.69	317.44	2.48	-43.21
CCCC(NC(=O)C1C[C@H]2C[C@@H]([NH3+])[C@H]2C1)C1=N[N-]N=N1	REAL250004670329	0	42	0.0	-60.60	321.20	1.76	-58.84
CCCC(NC(=O)C1C[C@H]2C[C@@H]([NH3+])[C@H]2C1)C1=NN=N[N-]1	REAL250004670329	1	42	0.0	-60.54	321.26	1.78	-58.76
CCCC(NC(=O)C(C[NH3+])CC1CCCC1)C1=N[N-]N=N1	REAL250004670330	0	47	0.0	-75.00	354.52	2.62	-72.38
CCCC(NC(=O)C(C[NH3+])CC1CCCC1)C1=NN=N[N-]1	REAL250004670330	1	47	0.0	-74.97	354.57	2.64	-72.33
CCCC(NC(=O)CSCCCC[NH3+])C1=N[N-]N=N1	REAL250004670331	0	41	0.0	-79.05	345.87	1.59	-77.46
CCCC(NC(=O)CSCCCC[NH3+])C1=NN=N[N-]1	REAL250004670331	1	41	0.0	-79.08	345.93	1.61	-77.47
CCCC(NC(=O)CC1CC(C)(C)C[NH2+]1)C1=N[N-]N=N1	REAL250004670332	0	44	0.0	-46.79	341.07	2.79	-44.00
CCCC(NC(=O)CC1CC(C)(C)C[NH2+]1)C1=NN=N[N-]1	REAL250004670332	1	44	0.0	-46.81	341.13	2.81	-44.00
CCCC(NC(=O)[C@@H]([NH3+])CC(N)=O)C1=N[N-]N=N1	REAL250004670333	1	35	0.0	-54.66	291.72	-4.41	-59.07
CCCC(NC(=O)[C@@H]([NH3+])CC(N)=O)C1=NN=N[N-]1	REAL250004670333	1	35	0.0	-54.63	291.78	-4.39	-59.02
CCCC(NC(=O)C[C@@H]([NH3+])[C@@H](C)CC)C1=N[N-]N=N1	REAL250004670334	0	43	0.0	-58.52	328.61	1.45	-57.07
CCCC(NC(=O)C[C@@H]([NH3+])[C@@H](C)CC)C1=NN=N[N-]1	REAL250004670334	1	43	0.0	-58.55	328.67	1.47	-57.08
CCCC(NC(=O)CC[C@@H]1CCCC[NH2+]1)C1=N[N-]N=N1	REAL250004670335	0	44	0.0	-63.90	339.60	3.12	-60.78
CCCC(NC(=O)CC[C@@H]1CCCC[NH2+]1)C1=NN=N[N-]1	REAL250004670335	1	44	0.0	-63.94	339.65	3.14	-60.80
CCCC(NC(=O)C1=CC=C(CC[NH3+])C=C1)C1=N[N-]N=N1	REAL250004670336	0	41	0.0	-84.52	336.62	2.43	-82.09
CCCC(NC(=O)C1=CC=C(CC[NH3+])C=C1)C1=NN=N[N-]1	REAL250004670336	1	41	0.0	-84.57	336.67	2.45	-82.12
CCCC(NC(=O)[C@H]([NH3+])CCC(=O)OC)C1=N[N-]N=N1	REAL250004670337	0	40	0.0	-65.65	331.82	0.23	-65.42
CCCC(NC(=O)[C@H]([NH3+])CCC(=O)OC)C1=NN=N[N-]1	REAL250004670337	1	40	0.0	-65.71	331.87	0.25	-65.46
CCCC(NC(=O)[C@H]([NH3+])CC(=O)OC)C1=N[N-]N=N1	REAL250004670338	0	37	0.0	-54.08	309.51	-0.53	-54.61
CCCC(NC(=O)[C@H]([NH3+])CC(=O)OC)C1=NN=N[N-]1	REAL250004670338	1	37	0.0	-54.15	309.57	-0.51	-54.66
CCCC(NC(=O)CCC1([NH3+])CCCC1)C1=N[N-]N=N1	REAL250004670339	0	44	0.0	-68.98	337.17	1.91	-67.07
CCCC(NC(=O)CCC1([NH3+])CCCC1)C1=NN=N[N-]1	REAL250004670339	1	44	0.0	-69.03	337.23	1.92	-67.11
CCCC(NC(=O)C1C2[NH2+]CCOC21)C1=N[N-]N=N1	REAL250004670340	1	37	0.0	-61.82	299.34	-0.23	-62.05
CCCC(NC(=O)C1C2[NH2+]CCOC21)C1=NN=N[N-]1	REAL250004670340	1	37	0.0	-61.83	299.40	-0.22	-62.05
CCCC(NC(=O)C[C@@H]([NH3+])COC)C1=N[N-]N=N1	REAL250004670341	0	38	0.0	-57.60	308.39	-1.36	-58.96
CCCC(NC(=O)C[C@@H]([NH3+])COC)C1=NN=N[N-]1	REAL250004670341	1	38	0.0	-57.62	308.45	-1.34	-58.96
CCCC(NC(=O)C1C2CCC[NH2+]C21)C1=N[N-]N=N1	REAL250004670342	0	39	0.0	-47.11	294.60	2.37	-44.74
CCCC(NC(=O)C1C2CCC[NH2+]C21)C1=NN=N[N-]1	REAL250004670342	1	39	0.0	-47.13	294.66	2.39	-44.74
CCCC(NC(=O)C[C@H]([NH3+])CC(=O)OC)C1=N[N-]N=N1	REAL250004670343	0	40	0.0	-53.98	327.10	0.36	-53.62
CCCC(NC(=O)C[C@H]([NH3+])CC(=O)OC)C1=NN=N[N-]1	REAL250004670343	1	40	0.0	-53.95	327.16	0.38	-53.57
CCCC(NC(=O)C1C[NH2+]CCC1(C)C)C1=N[N-]N=N1	REAL250004670344	0	44	0.0	-75.76	323.45	2.27	-73.49
CCCC(NC(=O)C1C[NH2+]CCC1(C)C)C1=NN=N[N-]1	REAL250004670344	1	44	0.0	-75.78	323.51	2.29	-73.49
CCCC(NC(=O)C1=CN=CC(C[NH3+])=C1)C1=NN=N[N-]1	REAL250004670345	0	37	0.0	-75.38	310.20	-0.14	-75.52
CCCC(NC(=O)C1=CN=CC(C[NH3+])=C1)C1=N[N-]N=N1	REAL250004670345	1	37	0.0	-75.35	310.14	-0.15	-75.50
CCCC(NC(=O)C([NH3+])CC(F)(F)F)C1=N[N-]N=N1	REAL250004670346	0	34	0.0	-55.26	292.32	-0.09	-55.35
CCCC(NC(=O)C([NH3+])CC(F)(F)F)C1=NN=N[N-]1	REAL250004670346	1	34	0.0	-55.27	292.37	-0.07	-55.34
CCCC(NC(=O)C1=C(C)N=C(C[NH3+])S1)C1=N[N-]N=N1	REAL250004670347	1	37	0.0	-80.31	319.83	-0.51	-80.82
CCCC(NC(=O)C1=C(C)N=C(C[NH3+])S1)C1=NN=N[N-]1	REAL250004670347	1	37	0.0	-80.32	319.89	-0.50	-80.82
CCCC(NC(=O)C(C[NH3+])C1CCOC1)C1=N[N-]N=N1	REAL250004670348	0	42	0.0	-84.02	331.11	-0.68	-84.70
CCCC(NC(=O)C(C[NH3+])C1CCOC1)C1=NN=N[N-]1	REAL250004670348	1	42	0.0	-84.12	331.17	-0.66	-84.78
CCCC(NC(=O)CC[C@H]1CCCC[NH2+]1)C1=N[N-]N=N1	REAL250004670349	0	44	0.0	-68.61	339.60	3.12	-65.49
CCCC(NC(=O)CC[C@H]1CCCC[NH2+]1)C1=NN=N[N-]1	REAL250004670349	1	44	0.0	-68.65	339.66	3.14	-65.51
CCCC(NC(=O)C(F)C1CCC[NH2+]CC1)C1=N[N-]N=N1	REAL250004670350	0	44	0.0	-58.43	336.29	2.46	-55.97
CCCC(NC(=O)C(F)C1CCC[NH2+]CC1)C1=NN=N[N-]1	REAL250004670350	1	44	0.0	-58.42	336.35	2.47	-55.95
CCCC(NC(=O)CC(C[NH3+])C1CCC1)C1=N[N-]N=N1	REAL250004670351	0	44	0.0	-56.30	337.26	2.13	-54.17
CCCC(NC(=O)CC(C[NH3+])C1CCC1)C1=NN=N[N-]1	REAL250004670351	1	44	0.0	-56.31	337.32	2.15	-54.16
CCCC(NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)F)C1=N[N-]N=N1	REAL250004670352	0	38	0.0	-79.41	312.81	1.47	-77.94
CCCC(NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)F)C1=NN=N[N-]1	REAL250004670352	1	38	0.0	-79.40	312.87	1.48	-77.92
CCCC(NC(=O)C1CC([NH3+])CCO1)C1=N[N-]N=N1	REAL250004670353	0	39	0.0	-76.07	311.83	-0.08	-76.15
CCCC(NC(=O)C1CC([NH3+])CCO1)C1=NN=N[N-]1	REAL250004670353	1	39	0.0	-76.10	311.89	-0.07	-76.17
CCCC(NC(=O)C1=C2C[NH2+]CCN2C=N1)C1=NN=N[N-]1	REAL250004670354	0	39	0.0	-73.77	317.29	2.11	-71.66
CCCC(NC(=O)C1=C2C[NH2+]CCN2C=N1)C1=N[N-]N=N1	REAL250004670354	1	39	0.0	-73.73	317.23	2.10	-71.63
CCCC(NC(=O)C([NH3+])CC1CCCCO1)C1=N[N-]N=N1	REAL250004670355	0	45	0.0	-56.19	350.51	0.57	-55.62
CCCC(NC(=O)C([NH3+])CC1CCCCO1)C1=NN=N[N-]1	REAL250004670355	1	45	0.0	-56.22	350.57	0.59	-55.63
CCCC(NC(=O)[C@H]([NH3+])CC1=CC=CC=N1)C1=N[N-]N=N1	REAL250004670356	0	40	0.0	-50.53	328.50	1.32	-49.21
CCCC(NC(=O)[C@H]([NH3+])CC1=CC=CC=N1)C1=NN=N[N-]1	REAL250004670356	1	40	0.0	-50.54	328.56	1.33	-49.21
CCCC(NC(=O)C1C[NH2+]CC12CCC2)C1=N[N-]N=N1	REAL250004670357	0	42	0.0	-63.28	325.14	2.27	-61.01
CCCC(NC(=O)C1C[NH2+]CC12CCC2)C1=NN=N[N-]1	REAL250004670357	1	42	0.0	-63.30	325.20	2.29	-61.01
CCCC(NC(=O)CC[C@H]1CCC[NH2+]1)C1=N[N-]N=N1	REAL250004670358	0	41	0.0	-68.95	323.74	2.50	-66.45
CCCC(NC(=O)CC[C@H]1CCC[NH2+]1)C1=NN=N[N-]1	REAL250004670358	1	41	0.0	-68.96	323.80	2.51	-66.45
CCCC(NC(=O)CCC1([NH3+])CCOCC1)C1=N[N-]N=N1	REAL250004670359	0	45	0.0	-71.71	340.23	-0.13	-71.84
CCCC(NC(=O)CCC1([NH3+])CCOCC1)C1=NN=N[N-]1	REAL250004670359	1	45	0.0	-71.70	340.28	-0.12	-71.82
CCCC(NC(=O)CO[C@H]1CC[C@H]([NH3+])CC1)C1=N[N-]N=N1	REAL250004670360	0	45	0.0	-81.67	354.35	1.54	-80.13
CCCC(NC(=O)CO[C@H]1CC[C@H]([NH3+])CC1)C1=NN=N[N-]1	REAL250004670360	1	45	0.0	-81.69	354.40	1.55	-80.14
CCCC[C@@H]([NH3+])C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004670361	0	40	0.0	-62.65	319.35	0.97	-61.68
CCCC[C@@H]([NH3+])C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004670361	1	40	0.0	-62.64	319.41	0.99	-61.65
CCCC(NC(=O)[C@@H]([NH3+])CC1=CC=NC=C1)C1=N[N-]N=N1	REAL250004670362	0	40	0.0	-61.28	330.66	0.65	-60.63
CCCC(NC(=O)[C@@H]([NH3+])CC1=CC=NC=C1)C1=NN=N[N-]1	REAL250004670362	1	40	0.0	-61.28	330.71	0.67	-60.61
CCCC(NC(=O)C([NH3+])CC1CC=CCC1)C1=N[N-]N=N1	REAL250004670363	0	45	0.0	-57.77	349.03	2.53	-55.24
CCCC(NC(=O)C([NH3+])CC1CC=CCC1)C1=NN=N[N-]1	REAL250004670363	1	45	0.0	-57.79	349.08	2.55	-55.24
CCCC(NC(=O)CCC1([NH3+])CCOC1)C1=N[N-]N=N1	REAL250004670364	0	42	0.0	-75.46	330.43	-0.61	-76.07
CCCC(NC(=O)CCC1([NH3+])CCOC1)C1=NN=N[N-]1	REAL250004670364	1	42	0.0	-75.52	330.48	-0.59	-76.11
CCCC(NC(=O)CC[C@]1(C)CCC[NH2+]1)C1=N[N-]N=N1	REAL250004670365	0	44	0.0	-61.74	338.41	2.62	-59.12
CCCC(NC(=O)CC[C@]1(C)CCC[NH2+]1)C1=NN=N[N-]1	REAL250004670365	1	44	0.0	-61.76	338.47	2.63	-59.13
CCCC(NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1=N[N-]N=N1	REAL250004670368	0	38	0.0	-70.83	300.97	0.48	-70.35
CCCC(NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1=NN=N[N-]1	REAL250004670368	1	38	0.0	-70.80	301.02	0.50	-70.30
CCCC(NC(=O)[C@@H]([NH3+])CC1CCCCC1)C1=N[N-]N=N1	REAL250004670369	0	47	0.0	-57.27	356.95	2.59	-54.68
CCCC(NC(=O)[C@@H]([NH3+])CC1CCCCC1)C1=NN=N[N-]1	REAL250004670369	1	47	0.0	-57.25	357.01	2.61	-54.64
CCCC(NC(=O)C([NH3+])CN1C=NC=N1)C1=NN=N[N-]1	REAL250004670370	0	37	0.0	-57.92	314.16	1.22	-56.70
CCCC(NC(=O)C([NH3+])CN1C=NC=N1)C1=N[N-]N=N1	REAL250004670370	1	37	0.0	-57.91	314.10	1.20	-56.71
CCCC(NC(=O)C1=CCC[NH2+]C1)C1=N[N-]N=N1	REAL250004670371	0	36	0.0	-74.16	288.73	1.42	-72.74
CCCC(NC(=O)C1=CCC[NH2+]C1)C1=NN=N[N-]1	REAL250004670371	1	36	0.0	-74.21	288.79	1.43	-72.78
CCCC(NC(=O)C1C[NH2+]CC2=CNN=C21)C1=N[N-]N=N1	REAL250004670372	0	39	0.0	-71.92	315.56	0.17	-71.75
CCCC(NC(=O)C1C[NH2+]CC2=CNN=C21)C1=NN=N[N-]1	REAL250004670372	1	39	0.0	-71.92	315.62	0.18	-71.74
CCCC(NC(=O)C1CC2CC1CC2[NH3+])C1=N[N-]N=N1	REAL250004670373	0	42	0.0	-84.44	319.43	1.64	-82.80
CCCC(NC(=O)C1CC2CC1CC2[NH3+])C1=NN=N[N-]1	REAL250004670373	1	42	0.0	-84.49	319.49	1.66	-82.83
CCCC(NC(=O)CC([NH3+])CC1CCCC1)C1=N[N-]N=N1	REAL250004670374	0	47	0.0	-61.57	357.38	2.74	-58.83
CCCC(NC(=O)CC([NH3+])CC1CCCC1)C1=NN=N[N-]1	REAL250004670374	1	47	0.0	-61.53	357.44	2.77	-58.76
CCCC(NC(=O)[C@H]1CCC[NH2+]C1)C1=N[N-]N=N1	REAL250004670375	0	38	0.0	-65.93	298.50	1.42	-64.51
CCCC(NC(=O)[C@H]1CCC[NH2+]C1)C1=NN=N[N-]1	REAL250004670375	1	38	0.0	-65.96	298.56	1.43	-64.53
CCCC(NC(=O)CO[C@@H]1CC[NH2+]C1)C1=N[N-]N=N1	REAL250004670376	0	39	0.0	-68.78	316.68	1.22	-67.56
CCCC(NC(=O)CO[C@@H]1CC[NH2+]C1)C1=NN=N[N-]1	REAL250004670376	1	39	0.0	-68.84	316.74	1.23	-67.61
CCCC(NC(=O)[C@@H]1C[NH2+]C[C@H]1C1CC1)C1=N[N-]N=N1	REAL250004670377	0	42	0.0	-76.73	329.88	2.70	-74.03
CCCC(NC(=O)[C@@H]1C[NH2+]C[C@H]1C1CC1)C1=NN=N[N-]1	REAL250004670377	1	42	0.0	-76.76	329.94	2.72	-74.04
CCCC(NC(=O)C1CC[NH2+]CC1OC)C1=N[N-]N=N1	REAL250004670378	0	42	0.0	-70.71	329.82	1.35	-69.36
CCCC(NC(=O)C1CC[NH2+]CC1OC)C1=NN=N[N-]1	REAL250004670378	1	42	0.0	-70.70	329.88	1.36	-69.34
CCCC(NC(=O)C1=C2C[NH2+]CCN2C=C1)C1=N[N-]N=N1	REAL250004670379	0	40	0.0	-69.71	321.63	2.45	-67.26
CCCC(NC(=O)C1=C2C[NH2+]CCN2C=C1)C1=NN=N[N-]1	REAL250004670379	1	40	0.0	-69.75	321.69	2.46	-67.29
CCCC(NC(=O)CC1CC2(CCC2)C[NH2+]1)C1=N[N-]N=N1	REAL250004670380	0	45	0.0	-53.92	348.12	3.49	-50.43
CCCC(NC(=O)CC1CC2(CCC2)C[NH2+]1)C1=NN=N[N-]1	REAL250004670380	1	45	0.0	-53.94	348.18	3.51	-50.43
CCCC(NC(=O)C[C@@H]([NH3+])C1CCCCC1)C1=N[N-]N=N1	REAL250004670381	0	47	0.0	-49.65	349.32	2.80	-46.85
CCCC(NC(=O)C[C@@H]([NH3+])C1CCCCC1)C1=NN=N[N-]1	REAL250004670381	1	47	0.0	-49.66	349.37	2.81	-46.85
CCCC(NC(=O)C1C[NH2+]CC(C)C1)C1=N[N-]N=N1	REAL250004670382	0	41	0.0	-69.83	312.97	2.01	-67.82
CCCC(NC(=O)C1C[NH2+]CC(C)C1)C1=NN=N[N-]1	REAL250004670382	1	41	0.0	-69.82	313.03	2.03	-67.79
CCCC(NC(=O)C[C@H]1CC[C@@H]([NH3+])CC1)C1=N[N-]N=N1	REAL250004670383	0	44	0.0	-76.78	331.23	1.98	-74.80
CCCC(NC(=O)C[C@H]1CC[C@@H]([NH3+])CC1)C1=NN=N[N-]1	REAL250004670383	1	44	0.0	-76.79	331.29	2.00	-74.79
CCCC(NC(=O)C[C@@H]1CC2(CC2)C[NH2+]1)C1=N[N-]N=N1	REAL250004670384	0	42	0.0	-54.19	332.86	2.98	-51.21
CCCC(NC(=O)C[C@@H]1CC2(CC2)C[NH2+]1)C1=NN=N[N-]1	REAL250004670384	1	42	0.0	-54.20	332.92	2.99	-51.21
CCCC(NC(=O)C([NH3+])CC1CCOC1)C1=N[N-]N=N1	REAL250004670386	0	42	0.0	-60.15	331.17	-0.54	-60.69
CCCC(NC(=O)C([NH3+])CC1CCOC1)C1=NN=N[N-]1	REAL250004670386	1	42	0.0	-60.14	331.23	-0.53	-60.67
CCCC(NC(=O)[C@H]1C[C@]([NH3+])(C(=O)OC)C1)C1=N[N-]N=N1	REAL250004670387	1	41	0.0	-74.43	336.54	0.40	-74.03
CCCC(NC(=O)[C@H]1C[C@]([NH3+])(C(=O)OC)C1)C1=NN=N[N-]1	REAL250004670387	1	41	0.0	-74.42	336.60	0.42	-74.00
CCCC(NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1=N[N-]N=N1	REAL250004670388	0	41	0.0	-49.82	308.58	2.27	-47.55
CCCC(NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1=NN=N[N-]1	REAL250004670388	1	41	0.0	-49.88	308.64	2.29	-47.59
CCCC(NC(=O)CC1([NH3+])CCSC1)C1=N[N-]N=N1	REAL250004670389	0	39	0.0	-59.75	314.47	1.05	-58.70
CCCC(NC(=O)CC1([NH3+])CCSC1)C1=NN=N[N-]1	REAL250004670389	1	39	0.0	-59.75	314.52	1.06	-58.69
CCCC(NC(=O)[C@@H]1C[NH2+]C[C@H](C)C1)C1=N[N-]N=N1	REAL250004670390	0	41	0.0	-67.95	319.16	2.03	-65.92
CCCC(NC(=O)[C@@H]1C[NH2+]C[C@H](C)C1)C1=NN=N[N-]1	REAL250004670390	1	41	0.0	-68.02	319.22	2.04	-65.98
CCCC(NC(=O)CSCC[NH3+])C1=N[N-]N=N1	REAL250004670391	0	35	0.0	-77.06	302.87	0.03	-77.03
CCCC(NC(=O)CSCC[NH3+])C1=NN=N[N-]1	REAL250004670391	1	35	0.0	-77.08	302.93	0.04	-77.04
CCCC(NC(=O)C[C@@H]([NH3+])C1CC1)C1=N[N-]N=N1	REAL250004670392	0	38	0.0	-48.98	301.25	1.27	-47.71
CCCC(NC(=O)C[C@@H]([NH3+])C1CC1)C1=NN=N[N-]1	REAL250004670392	1	38	0.0	-48.98	301.31	1.28	-47.70
CCCC(NC(=O)C[C@H]([NH3+])C1CC1)C1=N[N-]N=N1	REAL250004670393	0	38	0.0	-57.57	305.43	1.06	-56.51
CCCC(NC(=O)C[C@H]([NH3+])C1CC1)C1=NN=N[N-]1	REAL250004670393	1	38	0.0	-57.56	305.49	1.07	-56.49
CCCC(NC(=O)C[C@@H]1C[C@H](F)C[NH2+]1)C1=N[N-]N=N1	REAL250004670394	0	38	0.0	-49.33	307.48	1.85	-47.48
CCCC(NC(=O)C[C@@H]1C[C@H](F)C[NH2+]1)C1=NN=N[N-]1	REAL250004670394	1	38	0.0	-49.35	307.54	1.87	-47.48
C=C(F)C1(CC(=O)NC(CCC)C2=N[N-]N=N2)C[NH2+]C1	REAL250004670395	0	39	0.0	-75.30	314.08	1.43	-73.87
C=C(F)C1(CC(=O)NC(CCC)C2=NN=N[N-]2)C[NH2+]C1	REAL250004670395	1	39	0.0	-75.30	314.14	1.44	-73.86
CCCC(NC(=O)CC1CC[NH2+]C1(C)C)C1=N[N-]N=N1	REAL250004670396	0	44	0.0	-66.42	334.77	2.44	-63.98
CCCC(NC(=O)CC1CC[NH2+]C1(C)C)C1=NN=N[N-]1	REAL250004670396	1	44	0.0	-66.42	334.83	2.46	-63.96
CCCC(NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1)C1=N[N-]N=N1	REAL250004670397	0	41	0.0	-51.97	313.25	2.30	-49.67
CCCC(NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1)C1=NN=N[N-]1	REAL250004670397	1	41	0.0	-51.96	313.31	2.32	-49.64
CCCC(NC(=O)C[NH2+]CCC(F)(F)F)C1=NN=N[N-]1	REAL250004670398	0	37	0.0	-62.99	319.90	1.97	-61.02
CCCC(NC(=O)CCOCC[NH3+])C1=N[N-]N=N1	REAL250004670399	0	38	0.0	-71.79	313.10	-1.16	-72.95
CCCC(NC(=O)CCOCC[NH3+])C1=NN=N[N-]1	REAL250004670399	1	38	0.0	-71.77	313.16	-1.14	-72.91
CCCC(NC(=O)C[C@H]([NH3+])CCC(=O)OC)C1=N[N-]N=N1	REAL250004670400	0	43	0.0	-57.06	349.41	1.13	-55.93
CCCC(NC(=O)C[C@H]([NH3+])CCC(=O)OC)C1=NN=N[N-]1	REAL250004670400	1	43	0.0	-57.02	349.47	1.14	-55.88
CCCC(NC(=O)[C@H]1CC[C@H](C[NH3+])CC1)C1=N[N-]N=N1	REAL250004670401	0	44	0.0	-78.40	337.31	1.87	-76.53
CCCC(NC(=O)[C@H]1CC[C@H](C[NH3+])CC1)C1=NN=N[N-]1	REAL250004670401	1	44	0.0	-78.44	337.37	1.88	-76.56
CCCC(NC(=O)C[C@@H]1C[NH2+]C[C@H]1O)C1=N[N-]N=N1	REAL250004670402	0	39	0.0	-59.52	312.07	-1.92	-61.44
CCCC(NC(=O)C[C@@H]1C[NH2+]C[C@H]1O)C1=NN=N[N-]1	REAL250004670402	1	39	0.0	-59.51	312.13	-1.90	-61.41
CCCC(NC(=O)[C@@H]1CO[C@H](C[NH3+])C1)C1=N[N-]N=N1	REAL250004670403	0	39	0.0	-71.02	312.65	-1.14	-72.16
CCCC(NC(=O)[C@@H]1CO[C@H](C[NH3+])C1)C1=NN=N[N-]1	REAL250004670403	1	39	0.0	-71.01	312.71	-1.12	-72.13
CCCC(NC(=O)CO[C@H]1CC[NH2+]C1)C1=N[N-]N=N1	REAL250004670405	0	39	0.0	-68.77	316.70	1.21	-67.56
CCCC(NC(=O)CO[C@H]1CC[NH2+]C1)C1=NN=N[N-]1	REAL250004670405	1	39	0.0	-68.78	316.75	1.22	-67.56
CCCC(NC(=O)C=CC(C)(C)[NH3+])C1=N[N-]N=N1	REAL250004670406	0	38	0.0	-73.92	308.77	0.67	-73.25
CCCC(NC(=O)C=CC(C)(C)[NH3+])C1=NN=N[N-]1	REAL250004670406	1	38	0.0	-73.97	308.83	0.68	-73.29
CCCC(NC(=O)C([NH3+])CC1=CC=CS1)C1=N[N-]N=N1	REAL250004670407	0	38	0.0	-57.14	326.32	1.52	-55.62
CCCC(NC(=O)C([NH3+])CC1=CC=CS1)C1=NN=N[N-]1	REAL250004670407	1	38	0.0	-57.16	326.38	1.54	-55.62
CCCC(NC(=O)CC[C@H]1C[C@@H]([NH3+])C1)C1=N[N-]N=N1	REAL250004670408	0	41	0.0	-74.90	327.62	1.42	-73.48
CCCC(NC(=O)CC[C@H]1C[C@@H]([NH3+])C1)C1=NN=N[N-]1	REAL250004670408	1	41	0.0	-74.93	327.68	1.44	-73.49
CCCC(NC(=O)C1=NOC2(CC[NH2+]C2)C1)C1=N[N-]N=N1	REAL250004670409	0	40	0.0	-70.03	325.11	0.18	-69.85
CCCC(NC(=O)C1=NOC2(CC[NH2+]C2)C1)C1=NN=N[N-]1	REAL250004670409	1	40	0.0	-70.02	325.16	0.20	-69.82
CCCC(NC(=O)C1CC(C[NH3+])C1)C1=N[N-]N=N1	REAL250004670410	0	38	0.0	-76.45	305.48	0.57	-75.88
CCCC(NC(=O)C1CC(C[NH3+])C1)C1=NN=N[N-]1	REAL250004670410	1	38	0.0	-76.45	305.54	0.58	-75.87
CCCC(NC(=O)CC1CC[NH2+]C2(CC2)C1)C1=N[N-]N=N1	REAL250004670412	0	45	0.0	-63.72	348.92	3.44	-60.28
CCCC(NC(=O)CC1CC[NH2+]C2(CC2)C1)C1=NN=N[N-]1	REAL250004670412	1	45	0.0	-63.71	348.98	3.46	-60.25
CCCC(NC(=O)C1CC2(C1)CCC[NH2+]2)C1=N[N-]N=N1	REAL250004670414	0	42	0.0	-36.98	322.53	2.90	-34.08
CCCC(NC(=O)C1CC2(C1)CCC[NH2+]2)C1=NN=N[N-]1	REAL250004670414	1	42	0.0	-36.98	322.59	2.92	-34.06
CCCC(NC(=O)CCC([NH3+])CC)C1=N[N-]N=N1	REAL250004670415	0	40	0.0	-74.30	316.27	0.98	-73.32
CCCC(NC(=O)CCC([NH3+])CC)C1=NN=N[N-]1	REAL250004670415	1	40	0.0	-74.31	316.33	1.00	-73.31
CCCC(NC(=O)CCC1([NH3+])CC1)C1=N[N-]N=N1	REAL250004670416	0	38	0.0	-70.15	306.75	0.89	-69.26
CCCC(NC(=O)CCC1([NH3+])CC1)C1=NN=N[N-]1	REAL250004670416	1	38	0.0	-70.14	306.81	0.91	-69.23
CCCC(NC(=O)CC1=CC=C(C[NH3+])C=C1)C1=N[N-]N=N1	REAL250004670417	0	41	0.0	-76.04	339.74	2.33	-73.71
CCCC(NC(=O)CC1=CC=C(C[NH3+])C=C1)C1=NN=N[N-]1	REAL250004670417	1	41	0.0	-76.00	339.79	2.35	-73.65
CCCC(NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1=N[N-]N=N1	REAL250004670418	0	41	0.0	-68.87	319.05	1.10	-67.77
CCCC(NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1=NN=N[N-]1	REAL250004670418	1	41	0.0	-68.88	319.10	1.12	-67.76
CCCC(NC(=O)C[C@H]1CCC[NH2+]C1)C1=N[N-]N=N1	REAL250004670419	0	41	0.0	-68.45	317.08	2.16	-66.29
CCCC(NC(=O)C[C@H]1CCC[NH2+]C1)C1=NN=N[N-]1	REAL250004670419	1	41	0.0	-68.46	317.13	2.18	-66.28
CCCC(NC(=O)[C@@H]([NH3+])[C@@H](C)OC)C1=N[N-]N=N1	REAL250004670420	0	38	0.0	-62.85	306.78	-1.40	-64.25
CCCC(NC(=O)[C@@H]([NH3+])[C@@H](C)OC)C1=NN=N[N-]1	REAL250004670420	1	38	0.0	-62.90	306.84	-1.39	-64.29
CCCC(NC(=O)C([NH3+])CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL250004670421	0	41	0.0	-62.49	339.06	0.17	-62.32
CCCC(NC(=O)C([NH3+])CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL250004670421	1	41	0.0	-62.46	339.00	0.16	-62.30
CCCC(NC(=O)CC1C[NH2+]CC(C)(C)O1)C1=N[N-]N=N1	REAL250004670422	0	45	0.0	-73.02	346.38	2.06	-70.96
CCCC(NC(=O)CC1C[NH2+]CC(C)(C)O1)C1=NN=N[N-]1	REAL250004670422	1	45	0.0	-73.00	346.44	2.08	-70.92
CCCC(NC(=O)C(C)C1CC[NH2+]C1)C1=N[N-]N=N1	REAL250004670423	0	41	0.0	-55.86	318.71	2.00	-53.86
CCCC(NC(=O)C(C)C1CC[NH2+]C1)C1=NN=N[N-]1	REAL250004670423	1	41	0.0	-55.90	318.77	2.01	-53.89
CCCC(NC(=O)C(F)C1CC[NH2+]C1(C)C)C1=N[N-]N=N1	REAL250004670424	0	44	0.0	-72.44	340.62	2.40	-70.04
CCCC(NC(=O)C(F)C1CC[NH2+]C1(C)C)C1=NN=N[N-]1	REAL250004670424	1	44	0.0	-72.45	340.67	2.42	-70.03
CCCC(NC(=O)C1(F)C[NH2+]CC12CCC2)C1=N[N-]N=N1	REAL250004670425	0	42	0.0	-65.98	326.82	2.47	-63.51
CCCC(NC(=O)C1(F)C[NH2+]CC12CCC2)C1=NN=N[N-]1	REAL250004670425	1	42	0.0	-65.97	326.88	2.47	-63.50
CCCC(NC(=O)C([NH3+])C1CC(C)(C)C1)C1=N[N-]N=N1	REAL250004670426	0	44	0.0	-65.37	344.90	1.78	-63.59
CCCC(NC(=O)C([NH3+])C1CC(C)(C)C1)C1=NN=N[N-]1	REAL250004670426	1	44	0.0	-65.39	344.95	1.79	-63.60
CCCC(NC(=O)C([NH3+])C1CC2(CCC2)C1)C1=N[N-]N=N1	REAL250004670427	0	45	0.0	-66.36	353.45	2.52	-63.84
CCCC(NC(=O)C([NH3+])C1CC2(CCC2)C1)C1=NN=N[N-]1	REAL250004670427	1	45	0.0	-66.36	353.51	2.54	-63.82
CCCC(NC(=O)C1CC2CC1CC2C[NH3+])C1=N[N-]N=N1	REAL250004670428	0	45	0.0	-89.17	338.44	1.93	-87.24
CCCC(NC(=O)C1CC2CC1CC2C[NH3+])C1=NN=N[N-]1	REAL250004670428	1	45	0.0	-89.17	338.50	1.94	-87.23
CCCC(NC(=O)C([NH3+])CCOC(C)C)C1=N[N-]N=N1	REAL250004670429	0	44	0.0	-66.03	352.16	0.21	-65.82
CCCC(NC(=O)C([NH3+])CCOC(C)C)C1=NN=N[N-]1	REAL250004670429	1	44	0.0	-66.05	352.22	0.22	-65.83
CCCC(NC(=O)C([NH3+])CCOCC)C1=N[N-]N=N1	REAL250004670430	0	41	0.0	-65.90	331.89	-0.55	-66.45
CCCC(NC(=O)C([NH3+])CCOCC)C1=NN=N[N-]1	REAL250004670430	1	41	0.0	-65.92	331.95	-0.53	-66.45
CCCC(NC(=O)C([NH3+])CC1CCOCC1)C1=N[N-]N=N1	REAL250004670431	0	45	0.0	-66.26	347.77	0.21	-66.05
CCCC(NC(=O)C([NH3+])CC1CCOCC1)C1=NN=N[N-]1	REAL250004670431	1	45	0.0	-66.29	347.82	0.23	-66.06
C=CC[NH2+]CCC(=O)NC(CCC)C1=N[N-]N=N1	REAL250004670432	0	38	0.0	-62.85	314.57	1.94	-60.91
C=CC[NH2+]CCC(=O)NC(CCC)C1=NN=N[N-]1	REAL250004670432	1	38	0.0	-62.85	314.63	1.95	-60.90
CCCC(NC(=O)C([NH3+])CC(C)(C)C)C1=N[N-]N=N1	REAL250004670433	0	43	0.0	-54.14	326.15	1.41	-52.73
CCCC(NC(=O)C([NH3+])CC(C)(C)C)C1=NN=N[N-]1	REAL250004670433	1	43	0.0	-54.15	326.21	1.42	-52.73
CCCC(NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1=N[N-]N=N1	REAL250004670435	0	41	0.0	-72.09	319.04	1.10	-70.99
CCCC(NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1=NN=N[N-]1	REAL250004670435	1	41	0.0	-72.18	319.09	1.12	-71.06
CCCC(NC(=O)[C@H]1C[C@@](C[NH3+])(OC)C1)C1=N[N-]N=N1	REAL250004670436	0	42	0.0	-79.25	328.97	0.45	-78.80
CCCC(NC(=O)[C@H]1C[C@@](C[NH3+])(OC)C1)C1=NN=N[N-]1	REAL250004670436	1	42	0.0	-79.26	329.03	0.46	-78.80
CCCC(NC(=O)C1C[NH2+]CC12CCCC2)C1=N[N-]N=N1	REAL250004670437	0	45	0.0	-63.67	335.75	2.57	-61.10
CCCC(NC(=O)C1C[NH2+]CC12CCCC2)C1=NN=N[N-]1	REAL250004670437	1	45	0.0	-63.67	335.81	2.58	-61.09
CCCC(NC(=O)C(F)C1CC[NH2+]CC1)C1=N[N-]N=N1	REAL250004670439	0	41	0.0	-63.68	325.20	2.15	-61.53
CCCC(NC(=O)C(F)C1CC[NH2+]CC1)C1=NN=N[N-]1	REAL250004670439	1	41	0.0	-63.69	325.25	2.16	-61.53
CCCC(NC(=O)C1CCCC([NH3+])CC1)C1=N[N-]N=N1	REAL250004670440	0	44	0.0	-77.37	329.62	1.60	-75.77
CCCC(NC(=O)C1CCCC([NH3+])CC1)C1=NN=N[N-]1	REAL250004670440	1	44	0.0	-77.37	329.68	1.61	-75.76
CCCC(NC(=O)CN1CCCC([NH3+])C1=O)C1=N[N-]N=N1	REAL250004670441	0	42	0.0	-72.67	337.32	-0.11	-72.78
CCCC(NC(=O)CN1CCCC([NH3+])C1=O)C1=NN=N[N-]1	REAL250004670441	1	42	0.0	-72.71	337.37	-0.10	-72.81
CCCC(NC(=O)C1=CC(C[NH3+])=CC=N1)C1=N[N-]N=N1	REAL250004670444	0	37	0.0	-81.15	312.41	-0.08	-81.23
CCCC(NC(=O)C1=CC(C[NH3+])=CC=N1)C1=NN=N[N-]1	REAL250004670444	1	37	0.0	-81.15	312.47	-0.06	-81.21
CCCC(NC(=O)C1=NNC2=C1CC[NH2+]C2)C1=N[N-]N=N1	REAL250004670445	0	39	0.0	-78.90	317.03	0.12	-78.78
CCCC(NC(=O)C1=NNC2=C1CC[NH2+]C2)C1=NN=N[N-]1	REAL250004670445	1	39	0.0	-78.88	317.09	0.13	-78.75
CCCC(NC(=O)C1=NOC(C[NH3+])=C1)C1=N[N-]N=N1	REAL250004670446	1	34	0.0	-82.07	294.35	-0.89	-82.96
CCCC(NC(=O)C1=NOC(C[NH3+])=C1)C1=NN=N[N-]1	REAL250004670446	1	34	0.0	-82.06	294.41	-0.88	-82.94
CCCC(NC(=O)CC1CC([NH3+])CCO1)C1=N[N-]N=N1	REAL250004670447	0	42	0.0	-77.10	326.04	0.61	-76.49
CCCC(NC(=O)CC1CC([NH3+])CCO1)C1=NN=N[N-]1	REAL250004670447	1	42	0.0	-77.13	326.10	0.63	-76.50
CCCC(NC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH3+])C1=N[N-]N=N1	REAL250004670448	0	42	0.0	-58.15	311.49	1.88	-56.27
CCCC(NC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH3+])C1=NN=N[N-]1	REAL250004670448	1	42	0.0	-58.16	311.55	1.89	-56.27
CCCC(NC(=O)C1CC2(C1)CC[NH2+]CC2)C1=N[N-]N=N1	REAL250004670449	0	45	0.0	-72.99	344.16	3.15	-69.84
CCCC(NC(=O)C1CC2(C1)CC[NH2+]CC2)C1=NN=N[N-]1	REAL250004670449	1	45	0.0	-72.98	344.22	3.17	-69.81
CCCC(NC(=O)C([NH3+])COCC)C1=NN=N[N-]1	REAL250004670451	0	38	0.0	-52.93	312.72	-1.27	-54.20
CCCC(NC(=O)C1CC2(C1)CCC[NH2+]C2)C1=N[N-]N=N1	REAL250004670452	0	45	0.0	-72.67	343.83	3.18	-69.49
CCCC(NC(=O)C1CC2(C1)CCC[NH2+]C2)C1=NN=N[N-]1	REAL250004670452	1	45	0.0	-72.70	343.89	3.19	-69.51
CCCC(NC(=O)CC1(C)CC[NH2+]C1)C1=N[N-]N=N1	REAL250004670453	0	41	0.0	-55.97	315.47	1.80	-54.17
CCCC(NC(=O)CC1(C)CC[NH2+]C1)C1=NN=N[N-]1	REAL250004670453	1	41	0.0	-55.97	315.53	1.82	-54.15
CCCC(NC(=O)C1CC1C1CCC[NH2+]C1)C1=N[N-]N=N1	REAL250004670454	0	45	0.0	-57.66	339.09	3.19	-54.47
CCCC(NC(=O)C1CC1C1CCC[NH2+]C1)C1=NN=N[N-]1	REAL250004670454	1	45	0.0	-57.63	339.15	3.20	-54.43
CCCC(NC(=O)C1(C)CC([NH3+])C1)C1=N[N-]N=N1	REAL250004670455	0	38	0.0	-74.57	302.39	0.37	-74.20
CCCC(NC(=O)C1(C)CC([NH3+])C1)C1=NN=N[N-]1	REAL250004670455	1	38	0.0	-74.60	302.45	0.38	-74.22
CCCC(NC(=O)[C@H]1CC12CC([NH3+])C2)C1=N[N-]N=N1	REAL250004670456	0	39	0.0	-72.45	315.79	1.29	-71.16
CCCC(NC(=O)[C@H]1CC12CC([NH3+])C2)C1=NN=N[N-]1	REAL250004670456	1	39	0.0	-72.46	315.84	1.31	-71.15
CCCC(NC(=O)C1=CN(CC(C)[NH3+])N=C1)C1=NN=N[N-]1	REAL250004670458	0	41	0.0	-69.66	336.33	0.71	-68.95
CCCC(NC(=O)C1=CN(CC(C)[NH3+])N=C1)C1=N[N-]N=N1	REAL250004670458	1	41	0.0	-69.61	336.27	0.70	-68.91
CCCC(NC(=O)C1C[NH2+]CC(OC)C1)C1=N[N-]N=N1	REAL250004670459	0	42	0.0	-71.22	324.59	0.42	-70.80
CCCC(NC(=O)C1C[NH2+]CC(OC)C1)C1=NN=N[N-]1	REAL250004670459	1	42	0.0	-71.21	324.65	0.44	-70.77
CCCC(NC(=O)CC1COC(C[NH3+])C1)C1=N[N-]N=N1	REAL250004670460	0	42	0.0	-75.31	332.83	-0.42	-75.73
CCCC(NC(=O)CC1COC(C[NH3+])C1)C1=NN=N[N-]1	REAL250004670460	1	42	0.0	-75.28	332.88	-0.40	-75.68
CCCC(NC(=O)[C@@H]1C[NH2+]C[C@@H](C)O1)C1=N[N-]N=N1	REAL250004670461	0	39	0.0	-50.24	305.26	0.80	-49.44
CCCC(NC(=O)[C@@H]1C[NH2+]C[C@@H](C)O1)C1=NN=N[N-]1	REAL250004670461	1	39	0.0	-50.27	305.31	0.82	-49.45
CCCC(NC(=O)C1=CC(C[NH3+])=NN1)C1=N[N-]N=N1	REAL250004670462	0	35	0.0	-72.95	297.47	-1.96	-74.91
CCCC(NC(=O)C1=CC(C[NH3+])=NN1)C1=NN=N[N-]1	REAL250004670462	1	35	0.0	-72.97	297.52	-1.94	-74.91
CCCC(NC(=O)CC1CCCC[NH2+]1)C1=N[N-]N=N1	REAL250004670463	0	41	0.0	-53.49	317.38	2.46	-51.03
CCCC(NC(=O)CC1CCCC[NH2+]1)C1=NN=N[N-]1	REAL250004670463	1	41	0.0	-53.51	317.44	2.48	-51.03
CCCC(NC(=O)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1)C1=N[N-]N=N1	REAL250004670464	0	42	0.0	-72.31	323.02	2.29	-70.02
CCCC(NC(=O)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1)C1=NN=N[N-]1	REAL250004670464	1	42	0.0	-72.37	323.08	2.31	-70.06
CCCC(NC(=O)C12CC(C)(C1)C[NH2+]2)C1=NN=N[N-]1	REAL250004670465	0	39	0.0	-63.97	311.23	1.78	-62.19
CCCC(NC(=O)[C@@H]([NH3+])CSCC)C1=N[N-]N=N1	REAL250004670466	0	38	0.0	-52.02	321.76	0.77	-51.25
CCCC(NC(=O)[C@@H]([NH3+])CSCC)C1=NN=N[N-]1	REAL250004670466	1	38	0.0	-52.04	321.82	0.78	-51.26
CCCC(NC(=O)C1CC2(C1)CC[NH2+]C2)C1=N[N-]N=N1	REAL250004670469	0	42	0.0	-67.98	329.46	2.53	-65.45
CCCC(NC(=O)C1CC2(C1)CC[NH2+]C2)C1=NN=N[N-]1	REAL250004670469	1	42	0.0	-67.98	329.52	2.55	-65.43
CCCC(NC(=O)COCC1CC[NH2+]CC1)C1=N[N-]N=N1	REAL250004670470	0	45	0.0	-72.61	355.09	2.61	-70.00
CCCC(NC(=O)COCC1CC[NH2+]CC1)C1=NN=N[N-]1	REAL250004670470	1	45	0.0	-72.61	355.15	2.63	-69.98
CCCC(NC(=O)C(F)C(C)C[NH3+])C1=N[N-]N=N1	REAL250004670471	0	37	0.0	-70.09	301.92	0.00	-70.09
CCCC(NC(=O)C(F)C(C)C[NH3+])C1=NN=N[N-]1	REAL250004670471	1	37	0.0	-70.10	301.98	0.02	-70.08
CCCC(NC(=O)C1=NOC(CC[NH3+])=C1)C1=N[N-]N=N1	REAL250004670472	0	37	0.0	-83.08	315.86	-0.13	-83.21
CCCC(NC(=O)C1=NOC(CC[NH3+])=C1)C1=NN=N[N-]1	REAL250004670472	1	37	0.0	-83.08	315.92	-0.11	-83.19
CCCC(NC(=O)[C@H]1[C@@H]([NH3+])C1(C)C)C1=N[N-]N=N1	REAL250004670473	0	38	0.0	-45.92	298.55	0.88	-45.04
CCCC(NC(=O)[C@H]1[C@@H]([NH3+])C1(C)C)C1=NN=N[N-]1	REAL250004670473	1	38	0.0	-45.96	298.60	0.90	-45.06
CCCC(NC(=O)C[C@@H]([NH3+])C1=CC=CN=C1)C1=NN=N[N-]1	REAL250004670474	0	40	0.0	-59.83	327.07	0.78	-59.05
CCCC(NC(=O)C[C@@H]([NH3+])C1=CC=CN=C1)C1=N[N-]N=N1	REAL250004670474	1	40	0.0	-59.78	327.01	0.76	-59.02
CCCC(NC(=O)CC1CC[NH2+]CC1(C)C)C1=N[N-]N=N1	REAL250004670475	0	47	0.0	-62.43	344.19	2.98	-59.45
CCCC(NC(=O)CC1CC[NH2+]CC1(C)C)C1=NN=N[N-]1	REAL250004670475	1	47	0.0	-62.44	344.24	3.00	-59.44
CCCC(NC(=O)[C@H]1CO[C@H]2C[NH2+]C[C@H]21)C1=N[N-]N=N1	REAL250004670476	0	40	0.0	-71.89	310.86	-0.24	-72.13
CCCC(NC(=O)[C@H]1CO[C@H]2C[NH2+]C[C@H]21)C1=NN=N[N-]1	REAL250004670476	1	40	0.0	-72.01	310.92	-0.22	-72.23
CCCC(NC(=O)C1C[NH2+]CC(C)(C)O1)C1=N[N-]N=N1	REAL250004670477	0	42	0.0	-70.09	326.19	1.54	-68.55
CCCC(NC(=O)C1C[NH2+]CC(C)(C)O1)C1=NN=N[N-]1	REAL250004670477	1	42	0.0	-70.10	326.25	1.56	-68.54
CCCC(NC(=O)C1=COC2=C1C[NH2+]C2)C1=NN=N[N-]1	REAL250004670478	1	36	0.0	-71.53	301.78	1.05	-70.48
CCCC(NC(=O)C1C2CCCC([NH3+])C21)C1=N[N-]N=N1	REAL250004670479	0	42	0.0	-75.00	328.33	1.74	-73.26
CCCC(NC(=O)C1C2CCCC([NH3+])C21)C1=NN=N[N-]1	REAL250004670479	1	42	0.0	-75.00	328.39	1.76	-73.24
CCCC(NC(=O)[C@H]1[NH2+][C@H]2C[C@@H]1C[C@@H]2O)C1=NN=N[N-]1	REAL250004670480	0	40	0.0	-52.28	314.29	-1.43	-53.71
CCCC(NC(=O)C1CC[NH2+]C1(C)C)C1=N[N-]N=N1	REAL250004670481	0	41	0.0	-66.41	317.37	1.71	-64.70
CCCC(NC(=O)C1CC[NH2+]C1(C)C)C1=NN=N[N-]1	REAL250004670481	1	41	0.0	-66.36	317.43	1.72	-64.64
CCCC(NC(=O)C1C[NH2+]C(C)(C)CO1)C1=N[N-]N=N1	REAL250004670482	0	42	0.0	-72.91	327.62	1.45	-71.46
CCCC(NC(=O)C1C[NH2+]C(C)(C)CO1)C1=NN=N[N-]1	REAL250004670482	1	42	0.0	-72.93	327.68	1.46	-71.47
CCCC(NC(=O)[C@@H]1C[NH2+]C[C@H]1C(C)C)C1=N[N-]N=N1	REAL250004670483	0	44	0.0	-62.63	337.21	2.38	-60.25
CCCC(NC(=O)[C@@H]1C[NH2+]C[C@H]1C(C)C)C1=NN=N[N-]1	REAL250004670483	1	44	0.0	-62.66	337.26	2.40	-60.26
CCCC(NC(=O)[C@H]1C[C@](F)(C[NH3+])C1)C1=N[N-]N=N1	REAL250004670484	0	38	0.0	-80.69	308.04	0.62	-80.07
CCCC(NC(=O)[C@H]1C[C@](F)(C[NH3+])C1)C1=NN=N[N-]1	REAL250004670484	1	38	0.0	-80.69	308.10	0.64	-80.05
CCCC(NC(=O)[C@H]1C[C@@](F)(C[NH3+])C1)C1=N[N-]N=N1	REAL250004670485	0	38	0.0	-76.55	311.17	0.66	-75.89
CCCC(NC(=O)[C@H]1C[C@@](F)(C[NH3+])C1)C1=NN=N[N-]1	REAL250004670485	1	38	0.0	-76.56	311.23	0.67	-75.89
CCCC(NC(=O)C1C[NH2+]C2(CCC2)CO1)C1=N[N-]N=N1	REAL250004670486	0	43	0.0	-73.54	336.56	1.99	-71.55
CCCC(NC(=O)C1C[NH2+]C2(CCC2)CO1)C1=NN=N[N-]1	REAL250004670486	1	43	0.0	-73.54	336.62	2.00	-71.54
CCCC(NC(=O)[C@@]12C[C@@H]1[C@H]([NH3+])C2)C1=N[N-]N=N1	REAL250004670487	0	36	0.0	-77.69	295.72	0.59	-77.10
CCCC(NC(=O)[C@@]12C[C@@H]1[C@H]([NH3+])C2)C1=NN=N[N-]1	REAL250004670487	1	36	0.0	-77.69	295.77	0.60	-77.09
CCCC(NC(=O)C1CCN(CC[NH3+])CC1)C1=N[N-]N=N1	REAL250004670488	0	46	0.0	-77.75	353.76	-0.53	-78.28
CCCC(NC(=O)C1CCN(CC[NH3+])CC1)C1=NN=N[N-]1	REAL250004670488	1	46	0.0	-77.75	353.82	-0.51	-78.26
CCCC(NC(=O)C1C=CC[NH2+]C1)C1=N[N-]N=N1	REAL250004670489	0	36	0.0	-63.92	290.33	1.31	-62.61
CCCC(NC(=O)C1C=CC[NH2+]C1)C1=NN=N[N-]1	REAL250004670489	1	36	0.0	-63.91	290.39	1.33	-62.58
CCCC(NC(=O)C1=CN(CC[NH3+])N=C1)C1=NN=N[N-]1	REAL250004670490	0	38	0.0	-81.44	320.35	-0.38	-81.82
CCCC(NC(=O)C1=CN(CC[NH3+])N=C1)C1=N[N-]N=N1	REAL250004670490	1	38	0.0	-81.44	320.29	-0.40	-81.84
CCCC(NC(=O)C1C[NH2+]C(C)C1)C1=N[N-]N=N1	REAL250004670491	0	38	0.0	-64.73	301.88	1.35	-63.38
CCCC(NC(=O)C1C[NH2+]C(C)C1)C1=NN=N[N-]1	REAL250004670491	1	38	0.0	-64.74	301.94	1.37	-63.37
CCCC(NC(=O)C1C[NH2+]CC(N(C)C)C1)C1=N[N-]N=N1	REAL250004670492	0	46	0.0	-70.57	342.89	-0.05	-70.62
CCCC(NC(=O)C1C[NH2+]CC(N(C)C)C1)C1=NN=N[N-]1	REAL250004670492	1	46	0.0	-70.60	342.95	-0.03	-70.63
[NH3+]CCNCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670493	0	35	0.0	-80.41	295.32	-3.72	-84.13
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1	REAL250004670494	0	37	0.0	-74.70	301.06	0.18	-74.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H](F)C[NH2+]1	REAL250004670495	0	34	0.0	-73.72	285.54	0.39	-73.33
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[NH2+]C1	REAL250004670496	0	34	0.0	-73.18	281.14	-0.22	-73.40
[NH3+]CC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004670497	0	37	0.0	-78.16	305.22	0.17	-77.99
[NH3+][C@H]1C[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004670498	0	34	0.0	-79.55	283.08	-0.70	-80.25
[NH3+][C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670499	0	31	0.0	-79.47	267.36	-1.17	-80.64
O=C(CC[NH2+]C1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670500	0	37	0.0	-73.31	310.42	1.53	-71.78
C[NH2+]C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670501	0	33	0.0	-70.24	273.33	-0.07	-70.31
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(O)C[NH2+]C1	REAL250004670502	0	32	0.0	-74.04	270.88	-3.85	-77.89
[NH3+][C@@H]1CCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670503	0	37	0.0	-74.93	295.12	0.15	-74.78
C[NH2+][C@@H](C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670504	0	33	0.0	-69.09	272.87	-0.07	-69.16
O=C(C[C@H]1CC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670505	0	37	0.0	-74.92	299.26	0.91	-74.01
CC(C)[NH2+]CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670506	0	36	0.0	-71.17	296.05	0.78	-70.39
CCC([NH2+]C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670507	0	36	0.0	-68.64	290.43	0.70	-67.94
C#CC[NH2+]CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670508	1	32	0.0	-77.80	284.63	0.75	-77.05
C[C@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670509	0	33	0.0	-69.44	274.16	-1.06	-70.50
[NH3+]C1CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004670510	0	35	0.0	-86.34	292.79	-0.09	-86.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21	REAL250004670511	0	35	0.0	-71.16	288.68	1.05	-70.11
C[NH2+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004670512	0	37	0.0	-73.43	297.32	0.82	-72.61
[NH3+][C@H]1C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004670513	0	34	0.0	-79.64	282.96	-0.74	-80.38
[NH3+]C1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004670514	0	34	0.0	-72.54	286.09	-0.63	-73.17
[NH3+][C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670515	0	35	0.0	-78.81	285.48	-0.67	-79.48
[NH3+]CC(O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670517	0	34	0.0	-83.49	287.37	-3.53	-87.02
CC[NH2+]C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670518	0	36	0.0	-69.33	295.01	0.77	-68.56
[NH3+][C@H](CO)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670519	0	31	0.0	-70.46	266.95	-5.22	-75.68
C[NH2+]C1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004670520	0	37	0.0	-71.63	304.11	1.07	-70.56
[NH3+]C1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004670521	0	34	0.0	-80.38	283.40	-0.71	-81.09
C[C@@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670522	0	33	0.0	-68.61	274.15	-1.06	-69.67
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(O)C1	REAL250004670523	0	35	0.0	-87.34	286.51	-2.54	-89.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1[C@H]2C[C@@H]1[NH2+]C2	REAL250004670525	0	35	0.0	-66.91	283.64	0.71	-66.20
COCCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670526	0	37	0.0	-77.45	308.69	-2.08	-79.53
CO[C@@H](C[NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670527	0	34	0.0	-87.18	289.36	-1.79	-88.97
[NH3+]C(CO)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670529	0	31	0.0	-71.61	267.21	-5.23	-76.84
CC(C)C[C@@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670530	0	39	0.0	-73.33	313.40	0.14	-73.19
[NH3+]C[C@@H]1C[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670531	0	34	0.0	-70.60	283.12	-0.47	-71.07
[NH3+]C(CC1CC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670532	0	37	0.0	-75.28	306.45	0.41	-74.87
[NH3+]C1CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004670533	0	37	0.0	-78.71	304.27	0.08	-78.63
C[NH2+]CCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670535	0	39	0.0	-75.95	321.75	1.55	-74.40
CC(C)(O)[C@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670537	0	37	0.0	-73.50	297.69	-3.27	-76.77
CC(C)(C[NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670538	0	39	0.0	-81.08	303.45	0.10	-80.98
CCC[C@@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670539	0	39	0.0	-69.45	314.10	0.50	-68.95
O=C(C[C@H]1CCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670540	0	37	0.0	-65.90	299.65	1.07	-64.83
CCC[C@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670541	0	39	0.0	-68.70	313.84	0.52	-68.18
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC(C1)C[NH2+]2	REAL250004670542	0	35	0.0	-73.32	287.84	0.71	-72.61
C=CCCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670543	0	37	0.0	-76.82	309.33	0.19	-76.63
CC[C@@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670544	0	36	0.0	-69.49	292.63	-0.26	-69.75
CC[C@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670545	0	36	0.0	-69.49	292.61	-0.26	-69.75
COC[C@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670546	0	34	0.0	-71.28	289.49	-2.83	-74.11
CC(C)[C@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670547	0	39	0.0	-67.86	308.99	0.25	-67.61
CC(C)[C@@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670548	0	39	0.0	-68.49	309.25	0.24	-68.25
CC1CC[NH2+]C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670550	0	37	0.0	-68.19	299.68	0.85	-67.34
NC(=O)C[C@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670551	1	34	0.0	-70.78	290.41	-4.98	-75.76
[NH3+][C@@H]1COC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670552	0	35	0.0	-73.50	286.17	-2.45	-75.95
COC[C@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670553	0	37	0.0	-67.86	306.79	-1.93	-69.79
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL250004670554	0	34	0.0	-73.31	282.53	-0.20	-73.51
CC(CC[NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670555	0	36	0.0	-79.39	294.94	-0.60	-79.99
C[NH2+][C@H](C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670556	0	33	0.0	-70.23	273.35	-0.07	-70.30
C[NH2+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004670557	0	34	0.0	-76.90	285.02	0.46	-76.44
CCCC[C@@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670558	0	39	0.0	-74.93	318.02	0.40	-74.53
CC1(C([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004670560	0	37	0.0	-74.61	303.80	-0.07	-74.68
[NH3+][C@@H]1CC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004670561	0	37	0.0	-77.44	299.47	-0.10	-77.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC[NH2+]C1	REAL250004670562	0	32	0.0	-85.48	272.77	-0.01	-85.49
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CCC[NH2+]C1	REAL250004670563	0	35	0.0	-84.81	287.46	0.85	-83.96
C=CCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670564	0	34	0.0	-73.01	289.33	-0.62	-73.63
C[C@@H](O)[C@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670565	0	34	0.0	-79.16	281.95	-4.12	-83.28
C[C@@H](O)[C@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670566	0	34	0.0	-79.16	281.95	-4.12	-83.28
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1CCC[NH2+]C1	REAL250004670567	0	37	0.0	-72.77	296.69	0.85	-71.92
[NH3+]CCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670568	0	34	0.0	-84.57	301.54	-0.53	-85.10
[NH3+][C@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL250004670569	0	37	0.0	-67.99	299.92	0.69	-67.30
[NH3+][C@@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL250004670570	0	37	0.0	-69.09	304.11	0.48	-68.61
CC(C)C(C)([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670571	0	39	0.0	-82.61	302.28	0.09	-82.52
[NH3+]CCOCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670572	0	37	0.0	-77.84	311.77	-1.72	-79.56
CC(C)([NH3+])C=CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670573	0	37	0.0	-81.63	307.41	0.08	-81.55
[NH3+]CC1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004670574	0	37	0.0	-75.60	303.88	0.01	-75.59
[NH3+]CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004670575	0	37	0.0	-82.32	298.57	-0.17	-82.49
CCC([NH3+])CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670576	0	39	0.0	-82.95	314.93	0.42	-82.53
[NH3+]C1(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004670577	0	37	0.0	-80.59	305.14	0.34	-80.25
CC[NH2+]CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670578	0	36	0.0	-75.72	300.44	0.81	-74.91
CO[C@H](C)[C@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670579	0	37	0.0	-74.03	305.16	-1.96	-75.99
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC=CC1	REAL250004670580	0	35	0.0	-86.89	288.83	-0.07	-86.96
[NH3+]CCC(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670581	0	33	0.0	-80.66	284.82	-1.08	-81.74
C=CC[NH2+]CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670582	0	37	0.0	-76.08	313.23	1.37	-74.71
[NH3+]C[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670584	0	37	0.0	-77.31	301.10	-0.16	-77.47
[NH3+][C@H]1C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004670585	0	34	0.0	-79.64	282.96	-0.74	-80.38
N[C@@H](CC[NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670586	1	38	0.0	-78.45	310.99	-3.18	-81.63
[NH3+][C@@H]1C[C@@]2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@@H]12	REAL250004670587	0	35	0.0	-79.42	295.61	-0.01	-79.43
CCOCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670588	0	37	0.0	-70.81	311.32	-1.85	-72.66
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC([NH3+])C1	REAL250004670589	0	37	0.0	-78.38	300.95	-0.19	-78.57
[NH3+][C@@H]1CCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670593	0	37	0.0	-74.83	299.29	-0.13	-74.96
[NH3+][C@@H](CF)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670594	1	30	0.0	-74.51	262.35	-1.80	-76.31
CC(C[NH3+])C(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670595	0	36	0.0	-80.37	299.85	-0.56	-80.93
CC1(C)[C@H]([NH3+])[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670596	0	37	0.0	-72.05	296.96	0.33	-71.72
[NH3+][C@@H]1C[C@]2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@H]12	REAL250004670597	0	35	0.0	-83.85	294.10	0.03	-83.82
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C=CC[NH2+]C1	REAL250004670598	0	35	0.0	-73.77	289.06	0.76	-73.01
CC1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[NH2+]1	REAL250004670599	0	37	0.0	-80.08	300.27	0.80	-79.28
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOC1	REAL250004670600	0	35	0.0	-85.29	287.53	-2.53	-87.82
[NH3+]CCNCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670601	0	35	0.0	-76.04	295.03	-3.71	-79.75
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1	REAL250004670602	0	37	0.0	-75.15	302.63	0.12	-75.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H](F)C[NH2+]1	REAL250004670603	0	34	0.0	-72.51	286.66	0.31	-72.20
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[NH2+]C1	REAL250004670604	0	34	0.0	-71.25	280.51	-0.20	-71.45
[NH3+]CC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004670605	0	37	0.0	-79.96	304.83	0.14	-79.82
[NH3+][C@H]1C[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004670606	0	34	0.0	-75.00	283.32	-0.71	-75.71
[NH3+][C@@H]1C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670607	0	31	0.0	-81.72	267.07	-1.16	-82.88
O=C(CC[NH2+]C1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670608	0	37	0.0	-70.48	310.14	1.54	-68.94
C[NH2+]C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670609	0	33	0.0	-66.95	273.34	-0.08	-67.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(O)C[NH2+]C1	REAL250004670610	0	32	0.0	-70.84	270.90	-3.85	-74.69
[NH3+][C@@H]1CCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670611	0	37	0.0	-64.85	295.14	0.13	-64.72
C[NH2+][C@@H](C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670612	0	33	0.0	-68.85	272.86	-0.08	-68.93
O=C(C[C@H]1CC[NH2+]C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670613	0	37	0.0	-71.18	299.50	0.78	-70.40
CC(C)[NH2+]CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670614	0	36	0.0	-67.30	295.76	0.78	-66.52
CCC([NH2+]C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670615	0	36	0.0	-65.12	292.79	0.64	-64.48
C#CC[NH2+]CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670616	1	32	0.0	-73.30	284.34	0.76	-72.54
C[C@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670617	0	33	0.0	-68.62	274.15	-1.06	-69.68
[NH3+]C1CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004670618	0	35	0.0	-93.26	292.97	-0.09	-93.35
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21	REAL250004670619	0	35	0.0	-66.53	289.01	1.05	-65.48
C[NH2+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004670620	0	37	0.0	-70.67	297.30	1.18	-69.49
[NH3+][C@H]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004670621	0	34	0.0	-80.69	282.74	-0.74	-81.43
[NH3+]C1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004670622	0	34	0.0	-69.61	286.36	-0.60	-70.21
[NH3+][C@@H]1CCO[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670623	0	35	0.0	-80.90	284.94	-0.69	-81.59
[NH3+]CC(O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670625	0	34	0.0	-78.88	287.36	-3.56	-82.44
CC[NH2+]C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670626	0	36	0.0	-65.77	295.02	0.76	-65.01
[NH3+][C@H](CO)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670627	0	31	0.0	-70.73	267.21	-5.23	-75.96
C[NH2+]C1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004670628	0	37	0.0	-69.46	304.37	1.06	-68.40
[NH3+]C1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004670629	0	34	0.0	-75.01	283.39	-0.71	-75.72
C[C@@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670630	0	33	0.0	-66.47	274.16	-1.06	-67.53
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(O)C1	REAL250004670631	0	35	0.0	-77.22	287.82	-3.60	-80.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1[C@H]2C[C@@H]1[NH2+]C2	REAL250004670633	0	35	0.0	-61.59	283.63	0.71	-60.88
COCCC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670634	0	37	0.0	-73.62	308.41	-2.07	-75.69
CO[C@@H](C[NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670635	0	34	0.0	-91.66	287.97	-1.81	-93.47
[NH3+]C(CO)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670637	0	31	0.0	-68.02	266.93	-5.22	-73.24
CC(C)C[C@@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670638	0	39	0.0	-74.26	313.67	0.13	-74.13
[NH3+]C[C@@H]1C[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670639	0	34	0.0	-69.36	283.39	-0.48	-69.84
[NH3+]C(CC1CC1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670640	0	37	0.0	-71.76	306.17	0.42	-71.34
[NH3+]C1CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004670641	0	37	0.0	-83.56	303.22	0.02	-83.54
C[NH2+]CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670643	0	39	0.0	-71.37	321.46	1.56	-69.81
CC(C)(O)[C@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670645	0	37	0.0	-71.60	297.71	-3.27	-74.87
CC(C)(C[NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670646	0	39	0.0	-76.94	303.17	0.11	-76.83
CCC[C@@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670647	0	39	0.0	-69.41	314.11	0.51	-68.90
O=C(C[C@H]1CCC[NH2+]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670648	0	37	0.0	-64.64	299.11	1.14	-63.50
CCC[C@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670649	0	39	0.0	-69.13	313.83	0.52	-68.61
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC(C1)C[NH2+]2	REAL250004670650	0	35	0.0	-79.06	288.03	0.71	-78.35
C=CCCC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670651	0	37	0.0	-73.24	309.05	0.20	-73.04
CC[C@@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670652	0	36	0.0	-66.36	292.61	-0.26	-66.62
CC[C@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670653	0	36	0.0	-68.34	292.33	-0.25	-68.59
COC[C@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670654	0	34	0.0	-67.30	289.18	-2.82	-70.12
CC(C)[C@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670655	0	39	0.0	-68.28	308.98	0.25	-68.03
CC(C)[C@@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670656	0	39	0.0	-65.60	308.98	0.25	-65.35
CC1CC[NH2+]C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670658	0	37	0.0	-64.19	298.93	0.87	-63.32
NC(=O)C[C@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670659	1	34	0.0	-69.08	290.39	-4.98	-74.06
[NH3+][C@@H]1COC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670660	0	35	0.0	-67.98	286.19	-2.45	-70.43
COC[C@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670661	0	37	0.0	-68.89	306.78	-1.93	-70.82
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL250004670662	0	34	0.0	-75.12	282.34	-0.20	-75.32
CC(CC[NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670663	0	36	0.0	-75.87	294.93	-0.60	-76.47
C[NH2+][C@H](C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670664	0	33	0.0	-66.35	272.58	-0.07	-66.42
C[NH2+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004670665	0	34	0.0	-69.58	280.43	0.73	-68.85
CCCC[C@@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670666	0	39	0.0	-75.60	318.01	0.40	-75.20
CC1(C([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004670668	0	37	0.0	-72.42	297.48	0.61	-71.81
[NH3+][C@@H]1CC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004670669	0	37	0.0	-75.04	300.34	-0.10	-75.14
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC[NH2+]C1	REAL250004670670	0	32	0.0	-86.76	272.95	-0.04	-86.80
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CCC[NH2+]C1	REAL250004670671	0	35	0.0	-87.43	287.33	0.83	-86.60
C=CCC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670672	0	34	0.0	-69.05	289.05	-0.61	-69.66
C[C@@H](O)[C@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670673	0	34	0.0	-77.47	281.94	-4.12	-81.59
C[C@@H](O)[C@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670674	0	34	0.0	-77.47	281.94	-4.12	-81.59
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1CCC[NH2+]C1	REAL250004670675	0	37	0.0	-71.05	297.46	0.84	-70.21
[NH3+]CCSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670676	0	34	0.0	-79.03	301.25	-0.53	-79.56
[NH3+][C@H](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL250004670677	0	37	0.0	-65.36	303.81	0.49	-64.87
[NH3+][C@@H](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL250004670678	0	37	0.0	-68.24	304.11	0.48	-67.76
CC(C)C(C)([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670679	0	39	0.0	-73.07	302.10	0.10	-72.97
[NH3+]CCOCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670680	0	37	0.0	-73.66	311.48	-1.71	-75.37
CC(C)([NH3+])C=CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670681	0	37	0.0	-86.41	307.42	0.08	-86.33
[NH3+]CC1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004670682	0	37	0.0	-73.36	304.14	-0.00	-73.36
[NH3+]CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL250004670683	0	37	0.0	-85.01	298.56	-0.17	-85.18
CCC([NH3+])CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670684	0	39	0.0	-76.86	314.64	0.43	-76.43
[NH3+]C1(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL250004670685	0	37	0.0	-84.72	305.14	0.34	-84.38
CC[NH2+]CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670686	0	36	0.0	-71.39	300.15	0.82	-70.57
CO[C@H](C)[C@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670687	0	37	0.0	-71.74	305.15	-1.96	-73.70
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CC1	REAL250004670688	0	35	0.0	-89.31	288.77	-0.06	-89.37
[NH3+]CCC(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670689	0	33	0.0	-76.29	284.75	-1.08	-77.37
C=CC[NH2+]CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670690	0	37	0.0	-71.71	312.95	1.38	-70.33
[NH3+]C[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670692	0	37	0.0	-70.59	299.69	-0.18	-70.77
[NH3+][C@H]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL250004670693	0	34	0.0	-80.69	282.74	-0.74	-81.43
N[C@@H](CC[NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670694	1	38	0.0	-79.80	310.71	-3.17	-82.97
[NH3+][C@@H]1C[C@@]2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[C@@H]12	REAL250004670695	0	35	0.0	-80.25	295.34	-0.00	-80.25
CCOCC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670696	0	37	0.0	-67.29	311.04	-1.84	-69.13
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC([NH3+])C1	REAL250004670697	0	37	0.0	-80.86	301.24	-0.20	-81.06
[NH3+][C@@H]1CCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670701	0	37	0.0	-71.98	299.39	-0.13	-72.11
[NH3+][C@@H](CF)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670702	1	30	0.0	-70.48	262.04	-1.79	-72.27
CC(C[NH3+])C(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670703	0	36	0.0	-76.27	296.15	-0.46	-76.73
CC1(C)[C@H]([NH3+])[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670704	0	37	0.0	-73.32	296.94	0.33	-72.99
[NH3+][C@@H]1C[C@]2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[C@H]12	REAL250004670705	0	35	0.0	-90.55	294.09	0.04	-90.51
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C=CC[NH2+]C1	REAL250004670706	0	35	0.0	-74.65	288.70	0.75	-73.90
CC1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[NH2+]1	REAL250004670707	0	37	0.0	-80.06	300.20	0.80	-79.26
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCOC1	REAL250004670708	0	35	0.0	-88.59	285.78	-2.55	-91.14
[NH3+]CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670764	0	33	0.0	-79.69	278.51	-1.12	-80.81
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[NH2+]C1	REAL250004670765	0	37	0.0	-79.54	296.95	0.88	-78.66
CC(C)C([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670766	0	36	0.0	-74.49	289.95	-0.52	-75.01
CC[C@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670767	0	33	0.0	-73.82	275.02	-1.14	-74.96
CC(C)([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670768	0	33	0.0	-83.58	273.71	-1.22	-84.80
CC(C)[NH2+]CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670769	0	39	0.0	-74.96	317.60	1.35	-73.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH2+]C1	REAL250004670771	0	34	0.0	-75.70	279.79	0.15	-75.55
O=C(C[NH2+]CC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670772	0	37	0.0	-73.99	310.55	1.81	-72.18
O=C(CC1CCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670773	0	37	0.0	-65.55	299.41	1.13	-64.42
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CCO1	REAL250004670774	0	35	0.0	-83.62	289.54	-0.40	-84.02
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]C1	REAL250004670775	0	37	0.0	-70.80	297.16	0.64	-70.16
[NH3+]CCOCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670776	0	34	0.0	-76.38	290.81	-1.53	-77.91
CC(C)([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670777	0	36	0.0	-67.35	289.07	-0.44	-67.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(F)CC[NH2+]C1	REAL250004670778	0	34	0.0	-72.08	285.12	0.13	-71.95
[NH3+]C1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004670779	0	37	0.0	-68.85	298.91	0.07	-68.78
C[NH2+]CC(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670780	0	36	0.0	-75.47	295.40	0.65	-74.82
CC(C)(C[NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670781	0	36	0.0	-78.95	288.73	-0.57	-79.52
CC(C[NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670782	0	36	0.0	-81.02	292.18	-0.49	-81.51
[NH3+]C(CC(F)F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670783	0	33	0.0	-77.53	285.80	-0.77	-78.30
[NH3+]CCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670784	0	36	0.0	-80.52	300.01	-0.33	-80.85
[NH3+]C(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL250004670785	0	37	0.0	-67.51	299.65	0.70	-66.81
[NH3+]CC(=O)NCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670786	0	34	0.0	-78.06	294.42	-4.05	-82.11
[NH3+]CCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670787	0	39	0.0	-79.29	321.51	0.45	-78.84
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[NH2+]CCO1	REAL250004670788	0	35	0.0	-83.46	289.32	-0.40	-83.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[NH2+]CCO1	REAL250004670789	0	35	0.0	-83.22	289.89	-0.42	-83.64
CC1[NH2+]CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670790	0	37	0.0	-74.36	299.98	0.75	-73.61
CC([NH3+])C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670791	0	36	0.0	-66.85	286.57	-0.46	-67.31
CC([NH3+])CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670792	0	36	0.0	-84.28	296.48	-0.40	-84.68
COC(C[NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670793	0	37	0.0	-74.67	303.73	-1.06	-75.73
CC(C)C([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670794	0	39	0.0	-67.98	306.35	0.35	-67.63
CC1(C)C[NH2+]C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670795	0	37	0.0	-71.36	300.87	0.37	-70.99
C[NH2+]CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670796	0	33	0.0	-77.20	278.75	-0.04	-77.24
CC(C[NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670797	0	33	0.0	-80.58	273.66	-1.22	-81.80
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL250004670798	0	34	0.0	-80.01	278.40	-0.57	-80.58
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[NH2+]C1	REAL250004670799	0	34	0.0	-73.18	281.14	-0.22	-73.40
[NH3+]CC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL250004670800	0	37	0.0	-78.16	305.22	0.17	-77.99
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1	REAL250004670801	0	37	0.0	-74.70	301.06	0.18	-74.52
[NH3+][C@@H]1C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670802	0	31	0.0	-79.47	267.36	-1.17	-80.64
O=C(CC[NH2+]C1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670803	0	37	0.0	-73.31	310.42	1.53	-71.78
C[NH2+]C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670804	0	33	0.0	-70.24	273.33	-0.07	-70.31
[NH3+][C@@H]1CCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670805	0	37	0.0	-74.93	295.12	0.15	-74.78
C[NH2+][C@@H](C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670806	0	33	0.0	-69.09	272.87	-0.07	-69.16
O=C(C[C@H]1CC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670807	0	37	0.0	-74.92	299.26	0.91	-74.01
CC(C)[NH2+]CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670808	0	36	0.0	-71.17	296.05	0.78	-70.39
CCC([NH2+]C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670809	0	36	0.0	-68.64	290.43	0.70	-67.94
[NH3+]C1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL250004670810	0	34	0.0	-80.38	283.40	-0.71	-81.09
C[C@@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670811	0	33	0.0	-68.61	274.15	-1.06	-69.67
CC(C)C[C@@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670814	0	39	0.0	-73.33	313.40	0.14	-73.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CCC[NH2+]C1	REAL250004670815	0	35	0.0	-84.81	287.46	0.85	-83.96
C[NH+](C)CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004670850	0	37	0.0	-69.27	302.25	6.38	-62.89
C[NH+](C)CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004670850	1	37	0.0	-69.23	302.32	6.39	-62.84
C[NH+](C)CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004670851	0	37	0.0	-70.20	302.52	6.35	-63.85
C[NH+](C)CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004670851	1	37	0.0	-70.20	302.58	6.35	-63.85
C[NH+](C)CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004670854	1	37	0.0	-65.56	308.34	6.51	-59.05
C[NH+](C)CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004670855	1	37	0.0	-71.19	308.69	6.46	-64.73
C[NH+](C)CCC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671070	0	40	0.0	-67.74	324.69	7.24	-60.50
C[NH+](C)CCC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671070	1	40	0.0	-67.77	324.75	7.25	-60.52
C[NH+](C)CCC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671071	0	40	0.0	-74.05	325.00	7.20	-66.85
C[NH+](C)CCC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671071	1	40	0.0	-74.03	325.06	7.20	-66.83
C[NH+](C)CC1=CC=C(F)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671088	0	37	0.0	-71.90	313.45	6.62	-65.28
C[NH+](C)CC1=CC=C(F)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671088	1	37	0.0	-71.80	313.53	6.63	-65.17
C[NH+](C)CC1=CC=C(F)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671089	0	37	0.0	-73.87	313.88	6.59	-67.28
C[NH+](C)CC1=CC=C(F)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671089	1	37	0.0	-73.84	313.92	6.58	-67.26
CC([NH3+])C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1F	REAL250004671092	0	34	0.0	-80.65	287.34	3.33	-77.32
CC([NH3+])C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1F	REAL250004671092	1	34	0.0	-80.62	287.40	3.35	-77.27
CC([NH3+])C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1F	REAL250004671093	0	34	0.0	-84.59	287.66	3.31	-81.28
CC([NH3+])C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1F	REAL250004671093	1	34	0.0	-84.58	287.71	3.30	-81.28
C[NH+](C)CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1F	REAL250004671094	0	37	0.0	-65.17	308.36	6.50	-58.67
C[NH+](C)CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1F	REAL250004671095	0	37	0.0	-66.84	308.59	6.46	-60.38
C[NH+](C)CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671336	0	37	0.0	-66.39	302.23	6.39	-60.00
C[NH+](C)CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671336	1	37	0.0	-66.39	302.29	6.40	-59.99
C[NH+](C)CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671337	0	37	0.0	-73.42	302.55	6.35	-67.07
C[NH+](C)CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671337	1	37	0.0	-73.39	302.60	6.35	-67.04
CC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC(N)=[NH+]1	REAL250004671422	1	30	0.0	-52.43	258.83	2.54	-49.89
CC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC(N)=[NH+]1	REAL250004671423	1	30	0.0	-61.83	259.28	2.42	-59.41
CN(C)C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=[NH+]1	REAL250004671428	1	33	0.0	-52.44	274.98	4.67	-47.77
CN(C)C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=[NH+]1	REAL250004671429	1	33	0.0	-61.74	274.39	4.60	-57.14
C1=NN(C2=CC=[NH+]C=C2)C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671436	1	32	0.0	-71.63	284.36	4.50	-67.13
C1=NN(C2=CC=[NH+]C=C2)C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671437	1	32	0.0	-74.66	284.66	4.46	-70.20
C[NH+](C)CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)S1	REAL250004671448	0	34	0.0	-63.40	296.47	5.82	-57.58
C[NH+](C)CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)S1	REAL250004671449	0	34	0.0	-71.46	296.33	5.75	-65.71
C[NH+](C)CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)S1	REAL250004671449	1	34	0.0	-71.47	296.38	5.74	-65.73
[NH3+]CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL250004671642	0	31	0.0	-76.30	264.66	2.52	-73.78
[NH3+]CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL250004671642	1	31	0.0	-76.29	264.72	2.53	-73.76
[NH3+]CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL250004671643	0	31	0.0	-83.18	264.98	2.49	-80.69
[NH3+]CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL250004671643	1	31	0.0	-83.16	265.03	2.48	-80.68
CNC1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=[NH+]1	REAL250004671722	1	30	0.0	-54.21	257.29	2.87	-51.34
CNC1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=[NH+]1	REAL250004671723	1	30	0.0	-63.27	257.57	2.77	-60.50
C1=CC(C[NH2+]C2CC2)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671816	0	38	0.0	-70.83	318.08	5.95	-64.88
C1=CC(C[NH2+]C2CC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671816	1	38	0.0	-70.84	318.14	5.96	-64.88
C1=CC(C[NH2+]C2CC2)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671817	0	38	0.0	-71.95	318.40	5.92	-66.03
C1=CC(C[NH2+]C2CC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671817	1	38	0.0	-71.89	318.45	5.91	-65.98
[NH3+][C@@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=N[N-]N=N1	REAL250004671900	0	33	0.0	-56.33	278.90	2.66	-53.67
[NH3+][C@@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=NN=N[N-]1	REAL250004671900	1	33	0.0	-56.41	278.81	2.68	-53.73
[NH3+]CCN(CC(=O)NC1=N[N-]N=N1)CC1=CC=CC=C1	REAL250004671901	0	37	0.0	-80.20	301.49	1.83	-78.37
[NH3+]CCN(CC(=O)NC1=NN=N[N-]1)CC1=CC=CC=C1	REAL250004671901	1	37	0.0	-80.27	301.40	1.84	-78.43
O=C(NC1=NN=N[N-]1)C1(C2=CC=CC=C2)CC[NH2+]C1	REAL250004671902	0	33	0.0	-69.46	264.61	4.42	-65.04
O=C(NC1=N[N-]N=N1)C1(C2=CC=CC=C2)CC[NH2+]C1	REAL250004671902	1	33	0.0	-69.33	264.70	4.40	-64.93
[NH3+]C(CCC(=O)NC1=N[N-]N=N1)CC1CCCCC1	REAL250004671903	0	41	0.0	-78.36	309.54	4.15	-74.21
[NH3+]C(CCC(=O)NC1=NN=N[N-]1)CC1CCCCC1	REAL250004671903	1	41	0.0	-78.44	309.45	4.16	-74.28
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL250004671904	0	36	0.0	-74.40	283.87	4.11	-70.29
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL250004671904	1	36	0.0	-74.36	283.97	4.09	-70.27
N#CC1=CC=C2C(=C1)CC[NH2+]C2C(=O)NC1=NN=N[N-]1	REAL250004671906	1	31	0.0	-66.31	267.63	4.55	-61.76
CC([NH3+])(C(=O)NC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL250004671907	1	31	0.0	-68.23	268.37	3.17	-65.06
[NH3+][C@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=N[N-]N=N1	REAL250004671908	0	33	0.0	-60.84	281.74	2.60	-58.24
[NH3+][C@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=NN=N[N-]1	REAL250004671908	1	33	0.0	-60.91	281.65	2.62	-58.29
O=C(NC1=NN=N[N-]1)C1(N2C=CC=N2)CC[NH2+]CC1	REAL250004671909	0	33	0.0	-66.21	265.65	2.57	-63.64
O=C(NC1=N[N-]N=N1)C1(N2C=CC=N2)CC[NH2+]CC1	REAL250004671909	1	33	0.0	-66.11	265.73	2.56	-63.55
CC([NH3+])(COC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL250004671910	0	33	0.0	-59.40	276.26	2.32	-57.08
CC1=C(C(=O)NC2=N[N-]N=N2)SC(C2CC[NH2+]CC2)=N1	REAL250004671911	0	35	0.0	-77.55	294.35	3.11	-74.44
CC1=C(C(=O)NC2=NN=N[N-]2)SC(C2CC[NH2+]CC2)=N1	REAL250004671911	1	35	0.0	-77.71	294.40	3.12	-74.59
CN(C(=O)C1=CN(CCC[NH3+])N=N1)C1=NN=N[N-]1	REAL250004671912	0	31	0.0	-83.55	265.70	0.92	-82.63
CN(C(=O)C1=CN(CCC[NH3+])N=N1)C1=N[N-]N=N1	REAL250004671912	1	31	0.0	-83.47	265.84	0.90	-82.57
C[NH2+]CCC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004671913	0	35	0.0	-55.83	282.98	5.49	-50.34
C[NH2+]CCC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004671913	1	35	0.0	-55.76	283.12	5.48	-50.28
CN(C(=O)[C@@H]([NH3+])CC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004671914	0	36	0.0	-58.83	293.04	3.99	-54.84
CN(C(=O)[C@@H]([NH3+])CC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004671914	1	36	0.0	-58.96	292.93	4.02	-54.94
CN(C(=O)COCC1CCC[NH2+]C1)C1=N[N-]N=N1	REAL250004671915	0	36	0.0	-78.92	286.03	4.26	-74.66
CN(C(=O)COCC1CCC[NH2+]C1)C1=NN=N[N-]1	REAL250004671915	1	36	0.0	-79.01	285.90	4.28	-74.73
CN(C(=O)CN(CC[NH3+])CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004671916	0	40	0.0	-84.74	319.92	3.33	-81.41
CN(C(=O)CN(CC[NH3+])CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004671916	1	40	0.0	-84.86	319.78	3.36	-81.50
CN(C(=O)C([NH3+])CC1CCCCC1)C1=N[N-]N=N1	REAL250004671917	0	38	0.0	-63.35	284.01	4.09	-59.26
CN(C(=O)C([NH3+])CC1CCCCC1)C1=NN=N[N-]1	REAL250004671917	1	38	0.0	-63.50	283.88	4.13	-59.37
CN(C(=O)C1(C2=CC=CC=C2)CC[NH2+]C1)C1=NN=N[N-]1	REAL250004671918	0	36	0.0	-66.21	273.25	5.06	-61.15
CN(C(=O)C1(C2=CC=CC=C2)CC[NH2+]C1)C1=N[N-]N=N1	REAL250004671918	1	36	0.0	-66.02	273.39	5.05	-60.97
CN(C(=O)CCC([NH3+])C1=CC=CC=C1)C1=N[N-]N=N1	REAL250004671919	0	35	0.0	-82.50	285.38	4.91	-77.59
CN(C(=O)CCC([NH3+])C1=CC=CC=C1)C1=NN=N[N-]1	REAL250004671919	1	35	0.0	-82.54	285.25	4.94	-77.60
CN(C(=O)CC([NH3+])CC1=CC=CC=C1)C1=N[N-]N=N1	REAL250004671920	0	35	0.0	-61.78	284.24	4.99	-56.79
CN(C(=O)CC([NH3+])CC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004671920	1	35	0.0	-61.90	284.11	5.01	-56.89
CN(C(=O)CCC([NH3+])CC1CCCCC1)C1=N[N-]N=N1	REAL250004671921	0	44	0.0	-83.08	327.27	5.63	-77.45
CN(C(=O)CCC([NH3+])CC1CCCCC1)C1=NN=N[N-]1	REAL250004671921	1	44	0.0	-83.21	327.13	5.67	-77.54
CN(C(=O)C1=CC=C2CCCC(C[NH3+])C2=C1)C1=NN=N[N-]1	REAL250004671922	0	39	0.0	-76.68	298.47	5.23	-71.45
CN(C(=O)C1=CC=C2CCCC(C[NH3+])C2=C1)C1=N[N-]N=N1	REAL250004671922	1	39	0.0	-76.59	298.61	5.22	-71.37
CN(C(=O)CC1[NH2+]CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004671925	0	33	0.0	-53.60	269.73	5.39	-48.21
CN(C(=O)C1[NH2+]CCC2=CC(C#N)=CC=C21)C1=NN=N[N-]1	REAL250004671926	1	34	0.0	-68.14	280.73	5.60	-62.54
CN(C(=O)C(C)([NH3+])C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004671928	1	34	0.0	-65.56	279.93	4.28	-61.28
CN(C(=O)[C@H]([NH3+])CC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL250004671929	0	36	0.0	-62.24	293.67	3.85	-58.39
CN(C(=O)[C@H]([NH3+])CC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL250004671929	1	36	0.0	-62.39	293.54	3.88	-58.51
CN(C(=O)C1(N2C=CC=N2)CC[NH2+]CC1)C1=NN=N[N-]1	REAL250004671930	0	36	0.0	-68.03	273.38	4.45	-63.58
CN(C(=O)C1(N2C=CC=N2)CC[NH2+]CC1)C1=N[N-]N=N1	REAL250004671930	1	36	0.0	-67.93	273.51	4.42	-63.51
CN(C(=O)C(C)([NH3+])COC1=CC=CC=C1)C1=NN=N[N-]1	REAL250004671931	0	36	0.0	-61.22	284.66	3.75	-57.47
CC(C)[C@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004671935	0	35	0.0	-75.42	283.42	1.31	-74.11
C[NH+](C)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671955	0	36	0.0	-69.55	295.64	3.71	-65.84
C[NH+](C)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671955	1	36	0.0	-69.56	295.69	3.72	-65.84
C[NH+]1CCN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004671956	0	42	0.0	-68.41	332.71	2.36	-66.05
[NH3+]CCCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671959	0	39	0.0	-76.74	321.62	2.11	-74.63
[NH3+]CCCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671959	1	39	0.0	-76.75	321.67	2.12	-74.63
CC[NH+](CC)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004671962	0	39	0.0	-67.89	305.38	4.00	-63.89
CC[NH+](CC)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004671962	1	39	0.0	-67.89	305.44	4.02	-63.87
[NH3+]CCCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672010	0	36	0.0	-76.68	300.12	1.33	-75.35
[NH3+]CCCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672010	1	36	0.0	-76.67	300.17	1.34	-75.33
CC(C)(C[NH3+])CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672032	0	36	0.0	-80.68	284.56	1.26	-79.42
CC(C)(C[NH3+])CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672032	1	36	0.0	-80.71	284.61	1.28	-79.43
[NH3+]CC1=CC=C(N2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL250004672043	0	34	0.0	-84.99	291.74	2.17	-82.82
[NH3+]CC1=CC=C(N2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL250004672043	1	34	0.0	-84.99	291.68	2.15	-82.84
[NH3+]CC1=CC=CC(N2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL250004672076	0	34	0.0	-78.74	291.80	2.16	-76.58
[NH3+]CC1=CC=CC(N2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL250004672076	1	34	0.0	-78.74	291.75	2.14	-76.60
C1=C(CCC2=NN=N[N-]2)N=NN1CC1C[NH2+]CCO1	REAL250004672088	0	35	0.0	-79.85	288.29	0.42	-79.43
C1=C(CCC2=NN=N[N-]2)N=NN1CC[NH+]1CCCC1	REAL250004672094	0	37	0.0	-68.37	300.16	4.10	-64.27
C1=C(CCC2=N[N-]N=N2)N=NN1CC[NH+]1CCCC1	REAL250004672094	1	37	0.0	-68.38	300.10	4.09	-64.29
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCCC[NH2+]C1	REAL250004672113	0	40	0.0	-79.18	304.23	3.11	-76.07
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCCC[NH2+]C1	REAL250004672113	1	40	0.0	-79.20	304.29	3.12	-76.08
OC1CC[NH+](CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672122	0	41	0.0	-71.61	326.87	1.44	-70.17
OC1CC[NH+](CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672122	1	41	0.0	-71.65	326.92	1.45	-70.20
[NH3+]CCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672149	0	34	0.0	-75.54	290.38	-0.85	-76.39
[NH3+]CCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672149	1	34	0.0	-75.54	290.43	-0.84	-76.38
[NH3+][C@H]1CC[C@@H](N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672162	0	37	0.0	-72.06	288.40	1.32	-70.74
[NH3+][C@H]1CC[C@@H](N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672162	1	37	0.0	-72.06	288.46	1.33	-70.73
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CCC[NH2+]C1	REAL250004672163	0	37	0.0	-67.42	297.36	2.63	-64.79
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CCC[NH2+]C1	REAL250004672163	1	37	0.0	-67.42	297.42	2.65	-64.77
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC[NH2+]CC1	REAL250004672164	0	37	0.0	-73.05	297.49	2.63	-70.42
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC[NH2+]CC1	REAL250004672164	1	37	0.0	-73.05	297.54	2.65	-70.40
[NH3+]CC1=CC=CC=C1N1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672167	0	34	0.0	-61.37	283.20	2.39	-58.98
[NH3+]CC1=CC=CC=C1N1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672167	1	34	0.0	-61.30	283.15	2.37	-58.93
C1=C(CCC2=N[N-]N=N2)N=NN1C1CC2CCC(C1)[NH2+]2	REAL250004672168	0	38	0.0	-75.26	292.64	2.38	-72.88
C1=C(CCC2=NN=N[N-]2)N=NN1C1CC2CCC(C1)[NH2+]2	REAL250004672168	1	38	0.0	-75.25	292.69	2.40	-72.85
C1=C(CCC2=NN=N[N-]2)N=NN1CCC[NH+]1CCOCC1	REAL250004672169	1	41	0.0	-71.54	328.60	3.17	-68.37
C1=C(CCC2=N[N-]N=N2)N=NN1C1CC2CCCC(C1)[NH2+]2	REAL250004672171	0	41	0.0	-76.48	309.48	2.98	-73.50
C1=C(CCC2=NN=N[N-]2)N=NN1C1CC2CCCC(C1)[NH2+]2	REAL250004672171	1	41	0.0	-76.48	309.54	3.00	-73.48
[NH3+]C[C@@H]1CCC[C@H](CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL250004672178	0	43	0.0	-81.01	332.24	2.92	-78.09
[NH3+]C[C@@H]1CCC[C@H](CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL250004672178	1	43	0.0	-81.03	332.30	2.93	-78.10
C1=C(CCC2=N[N-]N=N2)N=NN1C1CCC[NH2+]CC1	REAL250004672179	0	37	0.0	-79.10	288.51	2.06	-77.04
C1=C(CCC2=NN=N[N-]2)N=NN1C1CCC[NH2+]CC1	REAL250004672179	1	37	0.0	-79.10	288.57	2.07	-77.03
[NH3+]C12CCC(CC1N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL250004672186	0	38	0.0	-63.27	295.87	1.54	-61.73
[NH3+]C12CCC(CC1N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL250004672186	1	38	0.0	-63.31	295.92	1.55	-61.76
CC1=[NH+]C=CN1CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672375	1	38	0.0	-64.49	322.80	5.26	-59.23
CC1=[NH+]C=CN1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672389	1	35	0.0	-63.75	301.28	4.50	-59.25
CN1C=[NH+]C=C1CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672473	1	38	0.0	-66.38	323.13	5.84	-60.54
CC1=CC(C)=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)=[NH+]1	REAL250004672510	1	40	0.0	-59.99	328.52	4.88	-55.11
NC1=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=CC=[NH+]1	REAL250004672657	1	33	0.0	-63.28	289.42	2.11	-61.17
CC(C)[N@H+](C)CC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672667	0	43	0.0	-70.58	336.51	2.14	-68.44
CC(C)[N@@H+](C)CC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672667	1	43	0.0	-70.77	338.39	1.84	-68.93
CC(C)[N@H+](C)CC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672667	1	43	0.0	-70.59	336.57	2.15	-68.44
CC(C)[N@@H+](C)CC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672667	1	43	0.0	-70.78	338.45	1.85	-68.93
CC[N@H+](C)CC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672670	0	40	0.0	-72.67	321.63	1.33	-71.34
CC[N@@H+](C)CC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672670	1	40	0.0	-72.46	321.70	1.32	-71.14
CC[N@H+](C)CC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672670	1	40	0.0	-72.66	321.69	1.34	-71.32
CC[N@@H+](C)CC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672670	1	40	0.0	-72.45	321.76	1.33	-71.12
C[N@H+](CC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004672671	0	41	0.0	-70.14	334.63	1.87	-68.27
C[N@@H+](CC(O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL250004672671	1	41	0.0	-70.19	332.99	2.19	-68.00
C[N@H+](CC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004672671	1	41	0.0	-70.16	334.68	1.88	-68.28
C[N@@H+](CC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL250004672671	1	41	0.0	-70.21	333.05	2.21	-68.00
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC[NH2+]CC1	REAL250004672722	0	37	0.0	-73.05	297.49	2.63	-70.42
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC[NH2+]CC1	REAL250004672722	1	37	0.0	-73.05	297.54	2.65	-70.40
C1=C(CCC2=N[N-]N=N2)N=NN1CC[NH+]1CCCCC1	REAL250004672771	0	40	0.0	-68.15	315.77	4.79	-63.36
C1=C(CCC2=NN=N[N-]2)N=NN1CC[NH+]1CCCCC1	REAL250004672771	1	40	0.0	-68.17	315.83	4.80	-63.37
C1=C(CCC2=NN=N[N-]2)N=NN1CCC[NH+]1CCOCC1	REAL250004672775	1	41	0.0	-71.54	328.60	3.17	-68.37
CC1=[NH+]C=CN1CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672779	1	35	0.0	-63.75	301.28	4.50	-59.25
C1=C(CCC2=N[N-]N=N2)N=NN1CCC[NH+]1CCCCC1	REAL250004672788	0	43	0.0	-68.89	337.27	5.58	-63.31
C1=C(CCC2=NN=N[N-]2)N=NN1CCC[NH+]1CCCCC1	REAL250004672788	1	43	0.0	-68.93	337.33	5.59	-63.34
CC1=[NH+]C=CN1CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672789	1	38	0.0	-64.49	322.80	5.26	-59.23
NC1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=[NH+]1	REAL250004672801	1	33	0.0	-62.06	289.21	1.99	-60.07
CC[NH+](CC)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004672888	0	42	0.0	-67.61	331.34	5.06	-62.55
CC[NH+](CC)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004672888	1	42	0.0	-67.60	331.40	5.07	-62.53
C1=C(CCC2=N[N-]N=N2)N=NN1CC[NH+]1CCCCCC1	REAL250004672900	0	43	0.0	-70.44	325.77	4.99	-65.45
C1=C(CCC2=NN=N[N-]2)N=NN1CC[NH+]1CCCCCC1	REAL250004672900	1	43	0.0	-70.42	325.83	5.01	-65.41
CN(C)C1=CC=CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)=[NH+]1	REAL250004672933	1	39	0.0	-59.32	325.88	4.72	-54.60
CC1CC[NH+](CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL250004672997	0	43	0.0	-68.86	336.68	5.42	-63.44
CC1CC[NH+](CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL250004672997	1	43	0.0	-68.84	336.63	5.40	-63.44
CC(C)C(C(=O)OCC1=NN=N[N-]1)[NH+]1CCCCC1	REAL250004673422	1	40	0.0	-48.12	294.67	5.69	-42.43
C[NH+](C)CC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL250004673449	0	34	0.0	-65.21	288.68	5.69	-59.52
C[NH+](C)CC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL250004673449	1	34	0.0	-65.23	288.73	5.70	-59.53
C[NH+]1CCC(OCC(=O)OCC2=N[N-]N=N2)CC1	REAL250004674414	0	35	0.0	-62.39	287.94	3.98	-58.41
C[NH+]1CCC(OCC(=O)OCC2=NN=N[N-]2)CC1	REAL250004674414	1	35	0.0	-62.40	287.99	4.00	-58.40
O=C(OCC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL250004674415	0	38	0.0	-61.53	314.74	5.98	-55.55
CC1=C(C(=O)OCC2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL250004675033	1	29	0.0	-59.63	254.67	5.92	-53.71
CC[NH+](CC)C(C(=O)OCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004675565	1	40	0.0	-47.11	308.51	6.59	-40.52
O=C(OCC1=N[N-]N=N1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL250004675726	0	38	0.0	-65.47	313.43	6.84	-58.63
O=C(OCC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL250004675726	1	38	0.0	-65.42	313.49	6.85	-58.57
O=C(OCC1=N[N-]N=N1)C1CC[NH+](C2CC2)CC1	REAL250004675727	0	35	0.0	-55.96	278.42	5.16	-50.80
O=C(OCC1=NN=N[N-]1)C1CC[NH+](C2CC2)CC1	REAL250004675727	1	35	0.0	-55.96	278.47	5.17	-50.79
C[NH+](C)CCOC1=CC=C(C(=O)OCC2=N[N-]N=N2)C=C1	REAL250004676272	0	38	0.0	-64.74	318.42	5.47	-59.27
C[NH+](C)CCOC1=CC=C(C(=O)OCC2=NN=N[N-]2)C=C1	REAL250004676272	1	38	0.0	-64.71	318.48	5.49	-59.22
C[NH+](C)C1CC2(C1)CCC(C(=O)OCC1=N[N-]N=N1)CC2	REAL250004676373	0	44	0.0	-61.84	337.55	6.95	-54.89
C[NH+](C)C1CC2(C1)CCC(C(=O)OCC1=NN=N[N-]1)CC2	REAL250004676373	1	44	0.0	-61.84	337.61	6.97	-54.87
C[NH+](C)[C@H]1CC[C@@H](C(=O)OCC2=N[N-]N=N2)CC1	REAL250004676401	0	37	0.0	-54.61	281.43	4.94	-49.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)OCC2=NN=N[N-]2)CC1	REAL250004676401	1	37	0.0	-54.59	281.49	4.95	-49.64
CC1=[NH+]C=C2C=CC(C(=O)OCC3=NN=N[N-]3)=CN21	REAL250004676405	0	29	0.0	-54.78	262.19	5.48	-49.30
C[NH+](C)CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676566	0	40	0.0	-81.59	333.11	1.43	-80.16
C[NH+](C)CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676566	1	40	0.0	-81.55	333.16	1.44	-80.11