O=C(C1CCC2CCCC[N@@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145536	0	46	0.0	-59.48	334.60	5.93	-53.55
O=C(C1CCC2CCCC[N@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145536	1	46	0.0	-61.20	329.99	5.63	-55.57
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145539	0	57	0.0	-73.78	416.55	7.12	-66.66
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145539	1	57	0.0	-75.11	419.94	6.96	-68.15
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145539	1	57	0.0	-73.80	416.61	7.14	-66.66
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145539	1	57	0.0	-75.12	420.00	6.98	-68.14
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145587	0	61	0.0	-78.59	450.62	10.00	-68.59
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145587	1	61	0.0	-75.78	443.83	9.88	-65.90
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145587	1	61	0.0	-78.61	450.67	10.02	-68.59
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145587	1	61	0.0	-75.74	443.88	9.91	-65.83
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145594	0	58	0.0	-74.78	433.58	9.49	-65.29
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145594	1	58	0.0	-74.50	435.94	9.63	-64.87
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145594	1	58	0.0	-74.79	433.64	9.52	-65.27
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145594	1	58	0.0	-74.53	436.00	9.66	-64.87
O=C(C1CCCC2CCC[N@@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145673	0	46	0.0	-61.82	322.70	5.24	-56.58
O=C(C1CCCC2CCC[N@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145673	1	46	0.0	-63.36	325.80	5.61	-57.75
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300020145779	0	48	0.0	-61.00	333.49	5.40	-55.60
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145793	1	51	0.0	-66.11	388.59	6.56	-59.55
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145793	1	51	0.0	-66.13	388.66	6.56	-59.57
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145795	0	53	0.0	-61.84	372.03	5.06	-56.78
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145795	1	53	0.0	-61.81	372.09	5.08	-56.73
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145802	0	49	0.0	-67.71	342.03	3.72	-63.99
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145802	1	49	0.0	-67.70	342.09	3.75	-63.95
CN1CC[N@H+](C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145803	0	47	0.0	-63.85	343.21	3.16	-60.69
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145803	1	47	0.0	-52.13	340.38	3.05	-49.08
CN1CC[N@H+](C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145803	1	47	0.0	-63.86	343.27	3.19	-60.67
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145803	1	47	0.0	-52.12	340.44	3.07	-49.05
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC2CCC[N@@H+]21	REAL300020156611	0	46	0.0	-53.93	353.06	6.79	-47.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC2CCC[N@H+]21	REAL300020156611	1	46	0.0	-57.76	345.53	6.55	-51.21
CC1C[N@H+](C)CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020156613	1	43	0.0	-58.35	340.65	4.90	-53.45
CC1C[N@@H+](C)CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020156613	1	43	0.0	-70.21	339.84	4.66	-65.55
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156615	0	45	0.0	-69.08	352.39	6.32	-62.76
C[N@H+]1CCCC1CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156615	1	45	0.0	-64.78	350.77	5.99	-58.79
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156615	1	45	0.0	-69.06	352.33	6.29	-62.77
C[N@H+]1CCCC1CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156615	1	45	0.0	-64.78	350.72	5.97	-58.81
C[N@H+](CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)CC(C)(C)C	REAL300020156635	0	47	0.0	-61.12	357.50	6.40	-54.72
C[N@@H+](CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)CC(C)(C)C	REAL300020156635	1	47	0.0	-63.43	358.56	6.54	-56.89
C=C(CC[NH+](C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156649	0	42	0.0	-80.93	342.73	5.84	-75.09
C=C(CC[NH+](C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156649	1	42	0.0	-80.90	342.67	5.81	-75.09
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)[NH+]1CCCCC1	REAL300020156723	0	48	0.0	-56.39	358.02	6.86	-49.53
C[NH+]1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020156738	0	42	0.0	-65.82	333.16	5.62	-60.20
C[NH+]1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020156738	1	42	0.0	-65.80	333.10	5.60	-60.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC([NH+]2CCOCC2)CC1	REAL300020156746	0	53	0.0	-59.26	393.78	6.08	-53.18
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156752	0	49	0.0	-60.25	369.52	5.04	-55.21
CN1CC[N@H+](C)CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020156753	0	47	0.0	-61.04	359.19	4.12	-56.92
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020156753	1	47	0.0	-62.98	359.95	3.74	-59.24
CN1CC[N@H+](C)CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020156753	1	47	0.0	-61.03	359.13	4.09	-56.94
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020156753	1	47	0.0	-63.00	359.90	3.72	-59.28
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020158591	1	43	0.0	-57.77	359.04	5.26	-52.51
C[NH+](C)CCSCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158841	0	42	0.0	-67.58	355.70	5.91	-61.67
C[NH+](C)CCSCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158841	1	42	0.0	-67.59	355.64	5.88	-61.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300020158846	1	44	0.0	-56.93	345.60	6.61	-50.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CC(C1)C[N@H+]2C1CC1	REAL300020158846	1	44	0.0	-61.41	345.82	7.11	-54.30
NC1=C(Br)C=[NH+]C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158865	1	35	0.0	-59.82	315.44	3.16	-56.66
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300020158866	0	43	0.0	-77.49	348.00	3.70	-73.79
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN21	REAL300020158874	0	40	0.0	-59.20	340.42	7.26	-51.94
CC[N@@H+]1CCOCC1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158889	1	46	0.0	-68.19	352.51	4.30	-63.89
CC[N@H+]1CCOCC1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158889	1	46	0.0	-63.82	351.43	4.31	-59.51
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159663	0	55	0.0	-67.95	428.17	9.90	-58.05
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159663	1	55	0.0	-67.96	428.23	9.93	-58.03
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)CCO1	REAL300020159664	1	53	0.0	-73.81	414.04	7.64	-66.17
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)CCO1	REAL300020159664	1	53	0.0	-71.56	414.09	7.64	-63.92
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020159736	0	42	0.0	-63.03	338.51	5.71	-57.32
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020159736	1	42	0.0	-63.06	338.45	5.69	-57.37
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020159748	0	48	0.0	-54.85	360.89	6.65	-48.20
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020159748	1	48	0.0	-54.88	360.83	6.63	-48.25
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020159831	0	51	0.0	-58.95	380.66	7.82	-51.13
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020159831	1	51	0.0	-56.91	383.66	7.88	-49.03
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020159831	1	51	0.0	-58.95	380.66	7.82	-51.13
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020159831	1	51	0.0	-56.91	383.66	7.88	-49.03
CC[N@@H+]1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020159832	0	45	0.0	-65.07	351.26	6.22	-58.85
CC[N@H+]1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020159832	1	45	0.0	-57.77	344.68	6.45	-51.32
CC[N@@H+]1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020159832	1	45	0.0	-65.07	351.26	6.22	-58.85
CC[N@H+]1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020159832	1	45	0.0	-57.77	344.68	6.45	-51.32
CSCC[C@H](NC(=O)C1CC[N@@H+]1C(C)(C)C)C1=NN=N[N-]1	REAL300020166548	1	45	0.0	-55.25	359.12	4.21	-51.04
CSCC[C@H](NC(=O)C1CC[N@H+]1C(C)(C)C)C1=NN=N[N-]1	REAL300020166548	1	45	0.0	-57.44	341.69	4.09	-53.35
CSCC[C@H](NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C1=NN=N[N-]1	REAL300020166567	1	45	0.0	-59.43	389.17	6.53	-52.90
CSCC[C@H](NC(=O)C12CC[N@H+](C1)CCC2)C1=NN=N[N-]1	REAL300020166593	0	43	0.0	-61.66	339.36	3.73	-57.93
CSCC[C@H](NC(=O)C12CC[N@@H+](C1)CCC2)C1=NN=N[N-]1	REAL300020166593	1	43	0.0	-63.94	339.44	3.73	-60.21
CSCC[C@H](NC(=O)C12CC[N@H+](C1)CCC2)C1=N[N-]N=N1	REAL300020166593	1	43	0.0	-61.63	339.31	3.71	-57.92
CSCC[C@H](NC(=O)C12CC[N@@H+](C1)CCC2)C1=N[N-]N=N1	REAL300020166593	1	43	0.0	-63.94	339.39	3.72	-60.22
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166640	1	46	0.0	-55.75	383.68	5.71	-50.04
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166640	1	46	0.0	-55.74	383.74	5.73	-50.01
CSCC[C@H](NC(=O)C1CC[N@@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300020166722	0	46	0.0	-55.43	363.78	5.01	-50.42
CSCC[C@H](NC(=O)C1CC[N@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300020166722	1	46	0.0	-57.72	363.06	4.96	-52.76
CSCC[C@H](NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020166788	0	52	0.0	-68.87	400.62	4.51	-64.36
CSCC[C@H](NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020166788	1	52	0.0	-77.08	414.19	4.90	-72.18
CSCC[C@H](NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020166788	1	52	0.0	-68.81	400.47	4.48	-64.33
CSCC[C@H](NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020166788	1	52	0.0	-77.04	414.13	4.89	-72.15
CSCC[C@H](NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=N[N-]N=N1	REAL300020166807	0	46	0.0	-64.53	386.57	4.79	-59.74
CSCC[C@H](NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=NN=N[N-]1	REAL300020166807	1	46	0.0	-64.57	386.62	4.80	-59.77
CSCC[C@H](NC(=O)CN1C=C[NH+]=C1C(C)C)C1=NN=N[N-]1	REAL300020166859	1	43	0.0	-53.06	363.56	5.25	-47.81
CSCC[C@H](NC(=O)C1C[NH+](C2CCOC2)C1)C1=NN=N[N-]1	REAL300020166860	1	44	0.0	-59.85	364.16	2.85	-57.00
CSCC[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1=NN=N[N-]1	REAL300020166864	0	46	0.0	-62.76	355.19	4.72	-58.04
CSCC[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1=N[N-]N=N1	REAL300020166864	1	46	0.0	-62.74	355.13	4.70	-58.04
CSCC[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)C1=NN=N[N-]1	REAL300020166873	0	47	0.0	-63.87	380.69	3.49	-60.38
CSCC[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)C1=N[N-]N=N1	REAL300020166873	1	47	0.0	-63.88	380.63	3.47	-60.41
CSCC[C@H](NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166880	1	48	0.0	-58.47	396.92	6.96	-51.51
CSCC[C@H](NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166880	1	48	0.0	-58.48	396.92	6.95	-51.53
COCCOCC[N@H+](C)CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166881	0	52	0.0	-61.27	425.86	3.12	-58.15
COCCOCC[N@@H+](C)CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166881	1	52	0.0	-60.73	425.91	3.13	-57.60
COCCOCC[N@H+](C)CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166881	1	52	0.0	-61.28	425.92	3.14	-58.14
COCCOCC[N@@H+](C)CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166881	1	52	0.0	-60.79	425.97	3.14	-57.65
CSCC[C@H](NC(=O)C1CCC2CCCC[N@@H+]21)C1=NN=N[N-]1	REAL300020166903	0	46	0.0	-50.39	365.66	5.44	-44.95
CSCC[C@H](NC(=O)C1CCC2CCCC[N@H+]21)C1=NN=N[N-]1	REAL300020166903	1	46	0.0	-52.46	365.46	5.46	-47.00
CSCC[C@H](NC(=O)C1CCCC2CCC[N@@H+]21)C1=NN=N[N-]1	REAL300020167034	0	46	0.0	-48.58	362.20	5.37	-43.21
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CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020192975	0	52	0.0	-60.14	379.46	7.53	-52.61
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020192975	1	52	0.0	-60.16	379.54	7.54	-52.62
C[NH+](C)CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020193236	0	48	0.0	-65.45	332.64	5.23	-60.22
C[NH+](C)CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020193236	1	48	0.0	-65.43	332.72	5.23	-60.20
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020193241	1	47	0.0	-69.47	381.28	5.50	-63.97
C[N@H+](CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020193245	0	48	0.0	-65.77	354.72	6.10	-59.67
C[N@@H+](CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020193245	1	48	0.0	-65.96	354.71	6.09	-59.87
C[N@H+](CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020193245	1	48	0.0	-65.81	354.80	6.12	-59.69
C[N@@H+](CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020193245	1	48	0.0	-65.98	354.79	6.10	-59.88
C[N@@H+]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020194531	0	46	0.0	-74.51	355.23	6.51	-68.00
C[N@H+]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020194531	1	46	0.0	-67.57	354.72	6.59	-60.98
C[N@@H+]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020194531	1	46	0.0	-74.56	355.30	6.52	-68.04
C[N@H+]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020194531	1	46	0.0	-67.61	354.79	6.60	-61.01
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194532	0	50	0.0	-64.93	371.65	3.67	-61.26
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194532	1	50	0.0	-64.95	371.73	3.68	-61.27
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194535	0	53	0.0	-63.44	393.14	4.49	-58.95
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194535	1	53	0.0	-63.43	393.21	4.50	-58.93
C[NH+](C)CCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020194559	0	42	0.0	-72.91	334.47	3.57	-69.34
C[NH+](C)CCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020194559	1	42	0.0	-72.92	334.39	3.55	-69.37
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194571	0	49	0.0	-75.16	369.96	7.31	-67.85
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194571	1	49	0.0	-75.20	370.04	7.33	-67.87
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020194672	0	42	0.0	-77.03	337.99	4.15	-72.88
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020194672	1	42	0.0	-77.04	337.92	4.14	-72.90
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194673	0	42	0.0	-55.97	330.03	3.60	-52.37
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194673	1	42	0.0	-55.94	329.96	3.58	-52.36
C[N@@H+]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300020194736	0	46	0.0	-65.94	331.74	5.87	-60.07
C[N@H+]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300020194736	1	46	0.0	-70.32	353.59	6.70	-63.62
C[N@@H+]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300020194736	1	46	0.0	-65.90	331.82	5.88	-60.02
C[N@H+]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300020194736	1	46	0.0	-70.33	353.66	6.70	-63.63
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194737	0	42	0.0	-62.16	328.10	2.84	-59.32
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194737	1	42	0.0	-62.17	328.03	2.83	-59.34
C[NH+](C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020194794	1	42	0.0	-61.78	340.86	6.19	-55.59
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020194824	0	49	0.0	-72.17	387.77	4.67	-67.50
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020194824	1	49	0.0	-72.18	387.84	4.69	-67.49
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194866	1	43	0.0	-58.45	342.25	5.72	-52.73
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194866	1	43	0.0	-58.48	342.33	5.72	-52.76
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194874	0	55	0.0	-49.23	415.88	3.34	-45.89
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194874	1	55	0.0	-49.27	415.95	3.36	-45.91
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020194997	0	49	0.0	-70.29	368.63	4.92	-65.37
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020194997	1	49	0.0	-67.73	360.94	4.50	-63.23
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020194997	1	49	0.0	-70.32	368.56	4.90	-65.42
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020194997	1	49	0.0	-67.74	360.87	4.50	-63.24
CC(C)[N@@H+]1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300020194998	0	55	0.0	-71.56	416.75	6.40	-65.16
CC(C)[N@H+]1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300020194998	1	55	0.0	-67.17	402.69	6.08	-61.09
CC(C)[N@@H+]1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300020194998	1	55	0.0	-71.51	416.67	6.40	-65.11
CC(C)[N@H+]1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300020194998	1	55	0.0	-67.19	402.62	6.07	-61.12
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195006	0	43	0.0	-67.22	337.75	4.15	-63.07
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195006	1	43	0.0	-67.25	337.82	4.16	-63.09
O=C(C1C[NH+](C2CCOCC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195065	0	44	0.0	-68.84	339.80	3.48	-65.36
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C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195073	1	45	0.0	-65.10	355.50	6.93	-58.17
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195073	1	45	0.0	-65.14	355.52	6.93	-58.21
COCCOCC[N@H+](C)CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195074	0	49	0.0	-65.59	384.44	3.12	-62.47
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195074	1	49	0.0	-66.53	384.49	3.13	-63.40
COCCOCC[N@H+](C)CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195074	1	49	0.0	-65.62	384.52	3.13	-62.49
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195074	1	49	0.0	-66.53	384.56	3.14	-63.39
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020195099	0	54	0.0	-70.20	405.79	6.48	-63.72
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O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020195099	1	54	0.0	-70.24	405.87	6.48	-63.76
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020195099	1	54	0.0	-67.64	407.30	6.38	-61.26
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195141	0	58	0.0	-70.91	435.06	9.34	-61.57
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195141	1	58	0.0	-72.77	434.83	9.26	-63.51
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195141	1	58	0.0	-70.92	435.13	9.35	-61.57
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195141	1	58	0.0	-72.79	434.91	9.27	-63.52
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195145	0	55	0.0	-56.45	422.46	8.88	-47.57
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195145	1	55	0.0	-70.53	418.43	8.82	-61.71
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195145	1	55	0.0	-56.45	422.53	8.90	-47.55
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195145	1	55	0.0	-70.58	418.50	8.82	-61.76
O=C([C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195146	0	59	0.0	-72.06	436.25	9.76	-62.30
O=C([C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195146	1	59	0.0	-71.52	443.71	9.92	-61.60
O=C([C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195146	1	59	0.0	-72.06	436.33	9.78	-62.28
O=C([C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195146	1	59	0.0	-71.53	443.78	9.95	-61.58
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195323	1	48	0.0	-62.91	374.67	5.88	-57.03
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195323	1	48	0.0	-62.77	374.66	5.88	-56.89
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195325	0	50	0.0	-58.37	367.17	4.60	-53.77
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195325	1	50	0.0	-58.34	367.24	4.61	-53.73
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195331	0	46	0.0	-60.90	326.13	2.98	-57.92
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195331	1	46	0.0	-60.90	326.21	2.99	-57.91
C[NH+](C)CCN1C=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020204561	0	41	0.0	-72.58	363.15	1.95	-70.63
C[NH+](C)CCN1C=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020204561	1	41	0.0	-72.65	363.10	1.97	-70.68
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204562	0	41	0.0	-62.52	358.23	1.93	-60.59
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CC[C@@H]1[C@@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC[N@@H+]1C	REAL300020204570	0	41	0.0	-66.51	335.37	2.18	-64.33
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CC[C@@H]1[C@@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC[N@@H+]1C	REAL300020204570	1	41	0.0	-66.48	335.42	2.15	-64.33
CC[C@@H]1[C@@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC[N@H+]1C	REAL300020204570	1	41	0.0	-66.05	340.35	2.49	-63.56
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CC1C[N@H+](C)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020205172	1	39	0.0	-58.49	329.93	1.49	-57.00
CC1C[N@@H+](C)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020205172	1	39	0.0	-69.72	329.91	1.48	-68.24
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CN1CC[N@H+](C)CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205312	0	43	0.0	-63.82	348.62	0.62	-63.20
CN1CC[N@@H+](C)CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205312	1	43	0.0	-63.80	348.76	0.63	-63.17
CN1CC[N@H+](C)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205312	1	43	0.0	-63.76	348.67	0.60	-63.16
CN1CC[N@@H+](C)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205312	1	43	0.0	-63.75	348.81	0.60	-63.15
CC(C[NH+]1CCOCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211656	1	49	0.0	-55.33	347.61	4.63	-50.70
CC(C[NH+]1CCOCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211656	1	49	0.0	-55.33	347.66	4.64	-50.69
C[N@H+](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCSC1	REAL300020211690	0	46	0.0	-56.73	338.24	6.44	-50.29
C[N@@H+](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCSC1	REAL300020211690	1	46	0.0	-56.91	336.86	6.47	-50.44
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CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)[NH+]1CCSCC1	REAL300020211808	1	46	0.0	-40.42	331.35	6.19	-34.23
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211840	0	50	0.0	-44.90	336.98	4.66	-40.24
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211840	1	50	0.0	-45.76	337.63	4.64	-41.12
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL300020211870	1	43	0.0	-46.91	329.23	7.92	-38.99
C[NH+](C)CC1(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCCCC1	REAL300020212090	0	54	0.0	-67.70	347.90	7.05	-60.65
C[NH+](C)CC1(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCCCC1	REAL300020212090	1	54	0.0	-67.73	347.92	7.05	-60.68
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020212097	1	53	0.0	-68.87	411.29	7.32	-61.55
C[N@H+](CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCCC1	REAL300020212101	0	54	0.0	-69.48	381.92	7.41	-62.07
C[N@@H+](CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCCC1	REAL300020212101	1	54	0.0	-57.47	376.81	7.81	-49.66
C[N@H+](CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCCC1	REAL300020212101	1	54	0.0	-69.45	381.98	7.44	-62.01
C[N@@H+](CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCCC1	REAL300020212101	1	54	0.0	-57.49	376.86	7.82	-49.67
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020213529	0	55	0.0	-69.14	420.06	6.66	-62.48
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020213529	1	55	0.0	-69.11	420.09	6.67	-62.44
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213564	1	49	0.0	-55.53	363.26	7.47	-48.06
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213564	1	49	0.0	-55.54	363.30	7.48	-48.06
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213569	0	61	0.0	-53.37	437.48	4.97	-48.40
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213569	1	61	0.0	-53.36	437.54	4.98	-48.38
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CC(C)C1=[NH+]C=CN1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213739	1	46	0.0	-59.77	349.11	6.47	-53.30
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COCCOCC[N@@H+](C)CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213759	1	55	0.0	-55.59	406.84	4.82	-50.77
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O=C(C1CCC2CCCC[N@H+]21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213777	1	49	0.0	-49.73	343.18	6.95	-42.78
O=C(C1CCCC2CCC[N@@H+]21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213890	0	49	0.0	-42.52	315.50	6.22	-36.30
O=C(C1CCCC2CCC[N@H+]21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213890	1	49	0.0	-41.55	336.90	6.87	-34.68
CC1C[N@H+](C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213891	1	46	0.0	-75.59	326.44	4.43	-71.16
CC1C[N@@H+](C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213891	1	46	0.0	-73.65	327.00	4.83	-68.82
C[N@@H+]1CCCC1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213894	0	48	0.0	-71.70	350.79	6.30	-65.40
C[N@H+]1CCCC1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213894	1	48	0.0	-66.43	343.64	5.95	-60.48
C[N@@H+]1CCCC1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213894	1	48	0.0	-71.69	350.84	6.30	-65.39
C[N@H+]1CCCC1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213894	1	48	0.0	-66.41	343.71	5.95	-60.46
C[N@H+](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC(C)(C)C	REAL300020213912	0	50	0.0	-52.33	345.37	6.63	-45.70
C[N@@H+](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC(C)(C)C	REAL300020213912	1	50	0.0	-41.98	344.87	6.42	-35.56
C[N@H+](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC(C)(C)C	REAL300020213912	1	50	0.0	-52.37	345.40	6.64	-45.73
C[N@@H+](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC(C)(C)C	REAL300020213912	1	50	0.0	-41.97	344.90	6.44	-35.53
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214005	1	54	0.0	-52.24	395.89	7.63	-44.61
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214005	1	54	0.0	-52.49	395.55	7.66	-44.83
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214007	0	56	0.0	-70.27	389.16	6.29	-63.98
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214007	1	56	0.0	-70.25	389.22	6.29	-63.96
CN1CC[N@H+](C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214012	0	50	0.0	-54.30	344.27	4.17	-50.13
CN1CC[N@@H+](C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214012	1	50	0.0	-64.54	346.22	3.22	-61.32
CN1CC[N@H+](C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214012	1	50	0.0	-54.34	344.32	4.19	-50.15
CN1CC[N@@H+](C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214012	1	50	0.0	-64.58	346.28	3.22	-61.36
C[NH+](C)CCSCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215751	0	45	0.0	-66.21	345.56	6.15	-60.06
C[NH+](C)CCSCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215751	1	45	0.0	-66.26	345.61	6.16	-60.10
O=C(N1CCCCC1CC1=NN=N[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL300020215756	0	47	0.0	-52.14	337.10	6.47	-45.67
O=C(N1CCCCC1CC1=NN=N[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL300020215756	1	47	0.0	-56.89	333.66	6.85	-50.04
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215776	0	46	0.0	-64.20	345.62	3.93	-60.27
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215776	1	46	0.0	-64.19	345.67	3.95	-60.24
CC1=[NH+]C=C2C=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN21	REAL300020215781	0	43	0.0	-62.36	333.95	7.26	-55.10
CC[N@@H+]1CCOCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215792	1	49	0.0	-54.01	342.06	4.53	-49.48
CC[N@H+]1CCOCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215792	1	49	0.0	-58.83	346.14	4.64	-54.19
CC[N@@H+]1CCOCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215792	1	49	0.0	-54.04	342.11	4.53	-49.51
CC[N@H+]1CCOCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215792	1	49	0.0	-58.76	346.19	4.67	-54.09
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216585	0	54	0.0	-47.27	364.24	7.99	-39.28
CC(C)C[N@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216585	1	54	0.0	-57.85	377.44	7.65	-50.20
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216585	1	54	0.0	-47.25	364.25	8.02	-39.23
CC(C)C[N@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216585	1	54	0.0	-57.85	377.49	7.66	-50.19
CC[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216586	0	48	0.0	-45.12	331.22	6.43	-38.69
CC[N@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216586	1	48	0.0	-49.53	329.99	6.28	-43.25
CC[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216586	1	48	0.0	-45.11	331.28	6.44	-38.67
CC[N@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216586	1	48	0.0	-49.55	330.04	6.29	-43.26
C[N@@H+]1CCC2=C(C=C(CNC(=O)CCC3=N[N-]N=N3)C(=O)N2)C1	REAL300020217536	0	42	0.0	-85.07	342.71	1.83	-83.24
C[N@H+]1CCC2=C(C=C(CNC(=O)CCC3=N[N-]N=N3)C(=O)N2)C1	REAL300020217536	1	42	0.0	-84.93	342.72	1.83	-83.10
C[N@@H+]1CCC2=C(C=C(CNC(=O)CCC3=NN=N[N-]3)C(=O)N2)C1	REAL300020217536	1	42	0.0	-85.07	342.76	1.84	-83.23
C[N@H+]1CCC2=C(C=C(CNC(=O)CCC3=NN=N[N-]3)C(=O)N2)C1	REAL300020217536	1	42	0.0	-84.94	342.78	1.85	-83.09
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020217559	1	41	0.0	-56.20	325.72	4.43	-51.77
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020217599	1	41	0.0	-56.20	325.72	4.43	-51.77
O=C(CCC1=NN=N[N-]1)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020217623	1	41	0.0	-63.66	341.34	3.95	-59.71
O=C(CCC1=N[N-]N=N1)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020217623	1	41	0.0	-63.64	341.28	3.93	-59.71
CC[NH+]1CCN(C2=C(Cl)C=CC=C2NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020217624	1	47	0.0	-58.27	371.44	5.17	-53.10
CC[NH+]1CCN(C2=C(Cl)C=CC=C2NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020217624	1	47	0.0	-58.32	371.50	5.18	-53.14
O=C(CCC1=NN=N[N-]1)N1COC[C@]2(COC[C@H]3CCC[N@@H+]32)C1	REAL300020217666	1	45	0.0	-52.48	325.50	2.37	-50.11
O=C(CCC1=NN=N[N-]1)N1COC[C@]2(COC[C@H]3CCC[N@H+]32)C1	REAL300020217666	1	45	0.0	-51.71	328.76	1.77	-49.94
CC1=CC(N)=[NH+]C=C1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217741	0	44	0.0	-57.50	343.27	4.27	-53.23
CC1=CC(N)=[NH+]C=C1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217741	1	44	0.0	-57.51	343.32	4.28	-53.23
C[N@@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300020217756	0	42	0.0	-67.31	335.34	4.48	-62.83
C[N@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300020217756	1	42	0.0	-66.76	343.13	5.25	-61.51
C[N@@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C=C1	REAL300020217756	1	42	0.0	-67.36	335.40	4.50	-62.86
C[N@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C=C1	REAL300020217756	1	42	0.0	-66.74	343.18	5.27	-61.47
COC1=CC=C(C[N@H+](C)CCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217764	0	45	0.0	-67.88	361.78	3.85	-64.03
COC1=CC=C(C[N@@H+](C)CCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217764	1	45	0.0	-67.96	361.84	3.86	-64.10
COC1=CC=C(C[N@H+](C)CCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020217764	1	45	0.0	-67.88	361.84	3.87	-64.01
COC1=CC=C(C[N@@H+](C)CCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020217764	1	45	0.0	-68.04	361.90	3.88	-64.16
C[C@@H]1[C@@H](NC(=O)CCC2=N[N-]N=N2)CC2(CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300020217770	0	55	0.0	-63.28	401.62	8.66	-54.62
C[C@@H]1[C@@H](NC(=O)CCC2=N[N-]N=N2)CC2(CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300020217770	1	55	0.0	-63.16	414.63	8.17	-54.99
C[C@@H]1[C@@H](NC(=O)CCC2=NN=N[N-]2)CC2(CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300020217770	1	55	0.0	-63.29	401.68	8.68	-54.61
C[C@@H]1[C@@H](NC(=O)CCC2=NN=N[N-]2)CC2(CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300020217770	1	55	0.0	-63.19	414.69	8.19	-55.00
NC1=CC=C(CC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=[NH+]1	REAL300020217776	1	44	0.0	-60.61	346.78	4.44	-56.17
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217796	0	52	0.0	-73.48	416.09	6.17	-67.31
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217796	1	52	0.0	-73.41	416.59	6.09	-67.32
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217796	1	52	0.0	-73.53	416.15	6.18	-67.35
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217796	1	52	0.0	-73.46	416.65	6.10	-67.36
CC1=C[NH+]=CC=C1N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217826	0	41	0.0	-61.12	327.08	3.76	-57.36
CC1=C[NH+]=CC=C1N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217826	1	41	0.0	-61.16	327.02	3.74	-57.42
O=C(CCC1=NN=N[N-]1)N1C[C@@H](O)[C@H]([N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300020217844	1	47	0.0	-61.34	367.21	3.93	-57.41
O=C(CCC1=NN=N[N-]1)N1C[C@@H](O)[C@H]([N@H+]2CCC3=CC=CC=C3C2)C1	REAL300020217844	1	47	0.0	-60.44	365.96	3.94	-56.50
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(N(C)C)=[NH+]1	REAL300020231592	1	46	0.0	-53.74	377.03	4.59	-49.15
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(N(C)C)=[NH+]1	REAL300020231593	1	46	0.0	-53.53	357.98	4.08	-49.45
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(N(C)C)=[NH+]1	REAL300020231594	1	43	0.0	-54.79	341.90	3.24	-51.55
CSCC[C@H](NC(=O)NC1=CC=C(C)[NH+]=C1N(C)C)C1=NN=N[N-]1	REAL300020231595	1	46	0.0	-50.93	386.20	3.14	-47.79
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(N(C)C)=[NH+]1	REAL300020231596	1	43	0.0	-53.34	343.26	3.29	-50.05
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(N(C)C)=[NH+]1	REAL300020231597	1	49	0.0	-48.92	365.66	5.13	-43.79
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251529	0	42	0.0	-63.27	345.01	5.08	-58.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[NH2+]CC2=CNN=C21	REAL300020251530	0	37	0.0	-69.61	302.13	1.96	-67.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]CC2=CNN=C21	REAL300020251530	1	37	0.0	-69.68	302.17	1.96	-67.72
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2CC[NH2+]CC2)N1	REAL300020251531	0	46	0.0	-78.41	363.58	4.12	-74.29
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C2CC[NH2+]CC2)N1	REAL300020251531	1	46	0.0	-78.49	363.63	4.12	-74.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(CC2CCCC[NH2+]2)=C1	REAL300020251532	0	45	0.0	-68.46	361.67	5.35	-63.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(CC2CCCC[NH2+]2)=C1	REAL300020251532	1	45	0.0	-68.45	361.72	5.35	-63.10
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1CCCC1	REAL300020251533	0	45	0.0	-51.70	345.00	4.76	-46.94
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1CCCC1	REAL300020251533	1	45	0.0	-51.75	345.05	4.77	-46.98
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020251534	0	39	0.0	-62.67	324.70	4.47	-58.20
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300020251534	1	39	0.0	-62.76	324.75	4.47	-58.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1	REAL300020251535	0	46	0.0	-52.54	347.44	6.38	-46.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1	REAL300020251535	1	46	0.0	-52.61	347.50	6.38	-46.23
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020251536	0	43	0.0	-80.56	356.62	-0.12	-80.68
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020251536	1	43	0.0	-80.54	356.58	-0.13	-80.67
COC1C[NH2+]CCC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251538	0	40	0.0	-61.39	314.02	3.46	-57.93
COC1C[NH2+]CCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251538	1	40	0.0	-61.39	314.06	3.47	-57.92
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C[NH2+]CCN2C=C1	REAL300020251539	0	38	0.0	-72.86	307.88	4.29	-68.57
O=C(CC1CC2(CCC2)C[NH2+]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251540	0	43	0.0	-46.96	335.30	5.35	-41.61
O=C(CC1CC2(CCC2)C[NH2+]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251540	1	43	0.0	-47.07	335.34	5.35	-41.72
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251541	0	39	0.0	-52.67	329.37	4.35	-48.32
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCCC1	REAL300020251542	0	45	0.0	-52.37	335.51	4.65	-47.72
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCCC1	REAL300020251542	1	45	0.0	-52.45	335.53	4.65	-47.80
[NH3+]C1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020251543	0	43	0.0	-78.69	337.50	5.14	-73.55
[NH3+]C1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020251543	1	43	0.0	-78.76	337.60	5.14	-73.62
[NH3+][C@H]1CC[C@@H](CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251544	0	42	0.0	-67.48	317.89	3.43	-64.05
[NH3+][C@H]1CC[C@@H](CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251544	1	42	0.0	-67.50	317.95	3.44	-64.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(C2CCC2)[NH2+]C1	REAL300020251545	0	46	0.0	-51.58	346.88	6.04	-45.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(C2CCC2)[NH2+]C1	REAL300020251545	1	46	0.0	-51.61	346.93	6.04	-45.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1CCC[NH2+]C1	REAL300020251546	0	39	0.0	-61.93	311.84	4.09	-57.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1CCC[NH2+]C1	REAL300020251546	1	39	0.0	-61.94	311.89	4.10	-57.84
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251547	0	43	0.0	-71.49	347.31	4.70	-66.79
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251547	1	43	0.0	-71.49	347.36	4.70	-66.79
[NH3+]C(CC1CCOC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251548	0	40	0.0	-64.43	307.89	1.62	-62.81
COC(=O)[C@@]1([NH3+])C[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251549	1	39	0.0	-69.79	322.91	2.24	-67.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2C[NH2+]CCO2)N=N1	REAL300020251550	0	43	0.0	-84.48	356.18	1.44	-83.04
[NH3+]C1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCSC1	REAL300020251551	0	37	0.0	-58.39	300.50	2.93	-55.46
[NH3+]C1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCSC1	REAL300020251551	1	37	0.0	-58.45	300.55	2.93	-55.52
[NH3+]CC1=C(Cl)SC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020251552	0	33	0.0	-67.31	308.62	3.11	-64.20
[NH3+]CC1=C(Cl)SC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251552	1	33	0.0	-67.36	308.66	3.12	-64.24
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2(CC[NH2+]C2)CC1	REAL300020251553	0	46	0.0	-66.62	343.78	5.34	-61.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2(CC[NH2+]C2)CC1	REAL300020251553	1	46	0.0	-66.60	343.83	5.35	-61.25
C=C(F)C1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C[NH2+]C1	REAL300020251554	0	37	0.0	-63.44	301.30	3.28	-60.16
C=C(F)C1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C[NH2+]C1	REAL300020251554	1	37	0.0	-63.50	301.34	3.29	-60.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C[NH2+]CCC2=C1	REAL300020251555	0	40	0.0	-73.29	322.47	5.57	-67.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C[NH2+]CCC2=C1	REAL300020251555	1	40	0.0	-73.26	322.52	5.57	-67.69
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251556	0	46	0.0	-50.72	377.36	4.51	-46.21
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251556	1	46	0.0	-50.72	377.40	4.51	-46.21
CC1(C)[NH2+]CCC1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251557	0	42	0.0	-58.24	321.99	4.30	-53.94
CC1(C)[NH2+]CCC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251557	1	42	0.0	-58.22	322.04	4.30	-53.92
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251558	0	46	0.0	-52.34	376.35	4.50	-47.84
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251558	1	46	0.0	-52.36	376.39	4.51	-47.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(CC2CC[NH2+]CC2)=C1	REAL300020251559	0	45	0.0	-73.34	362.74	5.16	-68.18
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(CC2CC[NH2+]CC2)=C1	REAL300020251559	1	45	0.0	-73.26	362.78	5.17	-68.09
O=C(C[NH2+]CCC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251560	0	35	0.0	-57.71	307.12	3.82	-53.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F	REAL300020251561	0	43	0.0	-58.06	349.75	6.37	-51.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F	REAL300020251561	1	43	0.0	-58.15	349.77	6.39	-51.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2CC[NH2+]CC2)C=C1	REAL300020251562	0	43	0.0	-79.23	345.90	4.08	-75.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2CC[NH2+]CC2)C=C1	REAL300020251562	1	43	0.0	-79.29	345.86	4.07	-75.22
COC(=O)CC[C@@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251563	0	41	0.0	-59.50	336.61	2.97	-56.53
COC(=O)CC[C@@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251563	1	41	0.0	-59.48	336.65	2.97	-56.51
[NH3+][C@H](COCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251564	1	43	0.0	-53.31	358.80	3.60	-49.71
[NH3+]C[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251565	0	42	0.0	-66.61	324.75	3.73	-62.88
[NH3+]C[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251565	1	42	0.0	-66.57	324.78	3.73	-62.84
[NH3+][C@@H](COCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251566	1	43	0.0	-53.44	359.82	3.63	-49.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCC[NH2+]C2)O1	REAL300020251567	0	40	0.0	-72.48	323.44	4.40	-68.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCC[NH2+]C2)O1	REAL300020251567	1	40	0.0	-72.51	323.48	4.40	-68.11
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251568	0	43	0.0	-59.80	362.22	3.88	-55.92
[NH3+]C(CC1=CC=CS1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251569	0	36	0.0	-48.71	313.32	3.41	-45.30
[NH3+]CCCCCCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251570	0	50	0.0	-69.69	396.06	6.01	-63.68
[NH3+]CCCCCCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251570	1	50	0.0	-69.64	396.11	6.01	-63.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC2(CC[NH2+]C2)C1	REAL300020251571	0	38	0.0	-71.49	311.33	2.02	-69.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC2(CC[NH2+]C2)C1	REAL300020251571	1	38	0.0	-70.97	312.37	2.04	-68.93
[NH3+]CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)C=C1	REAL300020251574	0	46	0.0	-78.05	376.39	6.93	-71.12
[NH3+]CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)C=C1	REAL300020251574	1	46	0.0	-77.98	376.44	6.94	-71.04
O=C(CC1CC2(C[NH2+]1)CCOCC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251575	0	47	0.0	-56.48	355.07	3.87	-52.61
O=C(CC1CC2(C[NH2+]1)CCOCC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251575	1	47	0.0	-56.50	355.11	3.87	-52.63
O=C(CC1CC[NH2+]C2(CC2)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251576	0	43	0.0	-56.95	335.12	5.26	-51.69
O=C(CC1CC[NH2+]C2(CC2)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251576	1	43	0.0	-56.96	335.16	5.27	-51.69
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=C1	REAL300020251578	0	46	0.0	-73.85	376.40	6.92	-66.93
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)=C1	REAL300020251578	1	46	0.0	-73.85	376.44	6.93	-66.92
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020251579	0	43	0.0	-70.35	353.86	5.51	-64.84
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251579	1	43	0.0	-70.33	353.91	5.51	-64.82
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251580	0	43	0.0	-73.11	353.87	5.52	-67.59
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251580	1	43	0.0	-73.12	353.91	5.52	-67.60
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251581	0	46	0.0	-64.47	375.59	6.91	-57.56
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251581	1	46	0.0	-64.48	375.64	6.91	-57.57
[NH3+][C@@H](CCSC(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251582	0	36	0.0	-60.33	327.07	3.09	-57.24
[NH3+]CC1=CC=CC=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251583	0	42	0.0	-67.01	338.90	4.83	-62.18
[NH3+]CC1=CC=CC=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251583	1	42	0.0	-66.99	338.93	4.84	-62.15
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)C=C1	REAL300020251585	0	46	0.0	-78.97	376.48	6.93	-72.04
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)C=C1	REAL300020251585	1	46	0.0	-78.97	376.53	6.94	-72.03
O=C(CN1C=NC2=C1CC[NH2+]C21CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251586	0	51	0.0	-58.02	391.60	5.84	-52.18
[NH3+]C(CC1=CC=CC(Br)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251587	0	39	0.0	-51.83	344.26	4.91	-46.92
[NH3+]CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251588	0	39	0.0	-72.12	326.95	4.19	-67.93
[NH3+]CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251588	1	39	0.0	-72.12	326.99	4.20	-67.92
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251589	0	43	0.0	-47.77	342.75	6.43	-41.34
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251589	1	43	0.0	-47.76	342.79	6.44	-41.32
CN1C=C(CC([NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020251590	0	39	0.0	-59.98	325.24	2.00	-57.98
CC1(C)C[NH2+]CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020251591	0	43	0.0	-64.62	333.61	3.86	-60.76
CC1(C)C[NH2+]CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020251591	1	43	0.0	-64.61	333.65	3.86	-60.75
CC1(C)[NH2+]CCC1C(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251592	0	42	0.0	-57.35	324.66	4.27	-53.08
CC1(C)[NH2+]CCC1C(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251592	1	42	0.0	-57.40	324.72	4.27	-53.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1(F)C[NH2+]CC12CCC2	REAL300020251593	0	40	0.0	-66.80	315.42	4.19	-62.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1(F)C[NH2+]CC12CCC2	REAL300020251593	1	40	0.0	-66.77	315.47	4.19	-62.58
CC1(C)CC(C([NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251594	0	42	0.0	-62.37	324.66	3.81	-58.56
[NH3+]C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2(CCC2)C1	REAL300020251595	0	43	0.0	-56.84	339.96	4.36	-52.48
[NH3+]CC1CC2CC1CC2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251596	0	43	0.0	-68.49	324.86	3.80	-64.69
[NH3+]CC1CC2CC1CC2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251596	1	43	0.0	-68.51	324.91	3.80	-64.71
[NH3+]CC1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020251597	0	42	0.0	-80.49	348.32	5.76	-74.73
[NH3+]CC1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300020251597	1	42	0.0	-80.51	348.37	5.76	-74.75
CC(C)OCCC([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251599	0	42	0.0	-56.88	338.40	2.05	-54.83
[NH3+]C(CC1CCOCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251600	0	43	0.0	-62.04	330.77	2.33	-59.71
[NH3+]C1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CS(=O)(=O)C1	REAL300020251601	1	36	0.0	-77.45	299.93	-1.61	-79.06
[NH3+]C1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CS(=O)(=O)C1	REAL300020251601	1	36	0.0	-77.44	299.97	-1.61	-79.05
O=C(CC1COC2(C1)CC[NH2+]CC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251602	0	47	0.0	-64.00	360.20	4.29	-59.71
O=C(CC1COC2(C1)CC[NH2+]CC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251602	1	47	0.0	-63.95	360.24	4.29	-59.66
O=C(CC1C[NH2+]C2CCCCC12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251603	0	46	0.0	-58.24	346.40	5.35	-52.89
O=C(CC1C[NH2+]C2CCCCC12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251603	1	46	0.0	-53.68	345.43	5.33	-48.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL300020251604	0	42	0.0	-62.98	345.84	3.19	-59.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL300020251604	1	42	0.0	-63.02	345.80	3.19	-59.83
COC1=CC=C(C[NH3+])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251605	0	40	0.0	-67.54	329.62	3.96	-63.58
COC1=CC=C(C[NH3+])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251605	1	40	0.0	-67.59	329.67	3.97	-63.62
[NH3+]C1CCCC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020251607	0	43	0.0	-71.79	339.53	5.28	-66.51
[NH3+]C1CCCC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020251607	1	43	0.0	-71.85	339.57	5.28	-66.57
CO[C@@]1(C[NH3+])C[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020251608	0	40	0.0	-70.20	314.82	2.28	-67.92
CO[C@@]1(C[NH3+])C[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251608	1	40	0.0	-70.22	314.86	2.28	-67.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[NH2+]CC12CCCC2	REAL300020251609	0	43	0.0	-61.24	325.37	4.60	-56.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]CC12CCCC2	REAL300020251609	1	43	0.0	-61.31	325.42	4.60	-56.71
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=C1CC[NH2+]C2	REAL300020251610	0	40	0.0	-72.22	326.23	3.23	-68.99
CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=C1CC[NH2+]C2	REAL300020251610	1	40	0.0	-72.23	326.28	3.22	-69.01
[NH3+]CC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020251611	0	40	0.0	-72.41	334.85	3.96	-68.45
[NH3+]CC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251611	1	40	0.0	-72.36	334.90	3.96	-68.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)C1CC[NH2+]CC1	REAL300020251612	0	39	0.0	-57.70	311.50	3.94	-53.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)C1CC[NH2+]CC1	REAL300020251612	1	39	0.0	-65.83	312.53	3.96	-61.87
[NH3+]CC1=CC=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020251613	0	42	0.0	-71.74	342.20	5.61	-66.13
[NH3+]CC1=CC=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020251613	1	42	0.0	-71.75	342.23	5.62	-66.13
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251614	0	38	0.0	-62.85	333.70	2.90	-59.95
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=C1	REAL300020251615	0	46	0.0	-81.48	376.49	6.92	-74.56
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=C1	REAL300020251615	1	46	0.0	-81.43	376.53	6.93	-74.50
[NH3+]C1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251616	0	42	0.0	-66.83	316.34	3.42	-63.41
[NH3+]C1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251616	1	42	0.0	-66.86	316.39	3.42	-63.44
[NH3+]C1CCCN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020251617	0	40	0.0	-67.61	324.55	1.75	-65.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCC[NH2+]C2)S1	REAL300020251618	0	40	0.0	-69.03	332.38	5.37	-63.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCC[NH2+]C2)S1	REAL300020251618	1	40	0.0	-68.99	332.42	5.37	-63.62
[NH3+]C1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCC1(F)F	REAL300020251619	0	42	0.0	-64.53	322.37	3.57	-60.96
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020251620	0	48	0.0	-57.86	353.63	5.24	-52.62
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251620	1	48	0.0	-57.90	353.68	5.24	-52.66
[NH3+]CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020251622	0	39	0.0	-56.67	334.84	4.36	-52.31
[NH3+]CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020251622	1	39	0.0	-56.82	335.17	4.36	-52.46
[NH3+]C1CCCC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020251623	0	46	0.0	-75.28	357.80	5.68	-69.60
[NH3+]C1CCCC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C1	REAL300020251623	1	46	0.0	-75.25	357.85	5.68	-69.57
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020251625	0	39	0.0	-65.40	330.72	4.57	-60.83
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020251625	1	39	0.0	-65.40	330.77	4.58	-60.82
[NH3+][C@@H](CC1=CC=C(Br)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251626	0	39	0.0	-56.71	344.26	4.92	-51.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1C[NH2+]CC2	REAL300020251627	0	40	0.0	-62.37	316.77	5.51	-56.86
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1C[NH2+]CC2	REAL300020251627	1	40	0.0	-62.40	316.81	5.51	-56.89
CC1=CC=CC(C(C[NH3+])C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020251628	0	42	0.0	-53.99	339.77	4.67	-49.32
CC1=CC=CC(C(C[NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251628	1	42	0.0	-54.00	339.82	4.67	-49.33
[NH3+]C(CCOCC(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251629	0	39	0.0	-62.74	337.70	1.76	-60.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC2=C1CC[NH2+]C2	REAL300020251630	0	37	0.0	-77.71	304.27	1.97	-75.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(C2CC[NH2+]CC2)=N1	REAL300020251631	0	42	0.0	-72.78	343.67	1.65	-71.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(C2CC[NH2+]CC2)=N1	REAL300020251631	1	42	0.0	-72.75	343.72	1.66	-71.09
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020251632	0	42	0.0	-82.65	343.17	2.53	-80.12
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020251632	1	42	0.0	-82.65	343.12	2.53	-80.12
[NH3+]C1CCOC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020251633	0	40	0.0	-66.70	312.25	2.38	-64.32
[NH3+]C1CCOC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251633	1	40	0.0	-66.73	312.30	2.38	-64.35
[NH3+]C1CC2(C1)CCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC2	REAL300020251634	0	46	0.0	-68.29	348.95	4.59	-63.70
[NH3+]C1CC2(C1)CCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC2	REAL300020251634	1	46	0.0	-68.26	349.00	4.59	-63.67
O=C(CC1CCC2(CC[NH2+]CC2)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251635	0	52	0.0	-66.85	372.17	6.51	-60.34
O=C(CC1CCC2(CC[NH2+]CC2)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251635	1	52	0.0	-66.85	372.21	6.51	-60.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2(C1)CC[NH2+]CC2	REAL300020251636	0	43	0.0	-65.41	331.37	5.01	-60.40
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2(C1)CC[NH2+]CC2	REAL300020251636	1	43	0.0	-65.44	331.41	5.01	-60.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[NH2+]CC2=CC=NN2C1	REAL300020251637	0	40	0.0	-70.63	320.18	3.08	-67.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]CC2=CC=NN2C1	REAL300020251637	1	40	0.0	-70.65	320.22	3.08	-67.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(CC2CC[NH2+]C2)=N1	REAL300020251638	0	42	0.0	-62.48	354.74	4.06	-58.42
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(CC2CC[NH2+]C2)=N1	REAL300020251638	1	42	0.0	-62.52	354.79	4.08	-58.44
O=C(CC1C[NH2+]C2(CCC2)CO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251639	0	44	0.0	-63.14	344.04	4.31	-58.83
O=C(CC1C[NH2+]C2(CCC2)CO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251639	1	44	0.0	-63.18	344.08	4.31	-58.87
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C(C)[NH3+])=N1	REAL300020251640	1	38	0.0	-63.25	326.69	2.01	-61.24
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(CC2CC[NH2+]CC2)=N1	REAL300020251641	0	48	0.0	-64.09	388.89	5.64	-58.45
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(CC2CC[NH2+]CC2)=N1	REAL300020251641	1	48	0.0	-64.07	388.93	5.65	-58.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(CC2CC[NH2+]CC2)=N1	REAL300020251642	0	45	0.0	-69.46	369.58	4.68	-64.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(CC2CC[NH2+]CC2)=N1	REAL300020251642	1	45	0.0	-69.51	369.63	4.68	-64.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2(C1)CCC[NH2+]C2	REAL300020251643	0	43	0.0	-62.97	330.05	5.02	-57.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2(C1)CCC[NH2+]C2	REAL300020251643	1	43	0.0	-62.97	330.09	5.02	-57.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC1C1CCC[NH2+]C1	REAL300020251644	0	43	0.0	-63.20	338.37	5.40	-57.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC1C1CCC[NH2+]C1	REAL300020251644	1	43	0.0	-63.19	338.42	5.41	-57.78
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251645	0	42	0.0	-67.16	326.14	1.57	-65.59
O=C(CC1CCC2C[NH2+]CCC2C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251646	0	49	0.0	-66.92	366.06	6.34	-60.58
O=C(CC1CCC2C[NH2+]CCC2C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251646	1	49	0.0	-66.92	366.10	6.35	-60.57
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2CCC[NH2+]C2)=N1	REAL300020251648	0	45	0.0	-62.54	368.49	4.76	-57.78
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2CCC[NH2+]C2)=N1	REAL300020251648	1	45	0.0	-62.56	368.54	4.76	-57.80
CC([NH3+])CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020251649	0	39	0.0	-68.68	327.49	2.28	-66.40
CC([NH3+])CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020251649	1	39	0.0	-68.69	327.45	2.28	-66.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C2=C1CC[NH2+]C2	REAL300020251650	0	40	0.0	-65.73	322.31	5.58	-60.15
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251651	0	38	0.0	-58.40	338.19	3.02	-55.38
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C)=C1C[NH3+]	REAL300020251652	0	42	0.0	-76.57	336.28	4.54	-72.03
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C)=C1C[NH3+]	REAL300020251652	1	42	0.0	-76.55	336.33	4.54	-72.01
C[NH2+]CC1=C(C)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020251653	0	45	0.0	-70.15	358.02	6.41	-63.74
C[NH2+]CC1=C(C)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020251653	1	45	0.0	-70.23	358.07	6.42	-63.81
COC1C[NH2+]CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020251654	0	40	0.0	-56.88	315.88	2.48	-54.40
COC1C[NH2+]CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251654	1	40	0.0	-56.89	315.92	2.48	-54.41
[NH3+]CC1CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CO1	REAL300020251655	0	40	0.0	-66.27	320.39	1.47	-64.80
[NH3+]CC1CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CO1	REAL300020251655	1	40	0.0	-65.83	319.42	1.46	-64.37
[NH3+]CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251656	0	42	0.0	-59.09	332.36	4.91	-54.18
[NH3+]CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251656	1	42	0.0	-43.70	333.67	4.93	-38.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1COC2(C1)CC[NH2+]CC2	REAL300020251657	0	44	0.0	-60.03	336.62	3.34	-56.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1COC2(C1)CC[NH2+]CC2	REAL300020251657	1	44	0.0	-60.04	336.66	3.35	-56.69
O=C(CC1CC[NH2+]CCC1(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251658	0	42	0.0	-64.60	322.18	4.57	-60.03
O=C(CC1CC[NH2+]CCC1(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251658	1	42	0.0	-64.63	322.23	4.57	-60.06
C[NH2+]CC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020251659	0	43	0.0	-66.72	356.60	5.84	-60.88
C[NH2+]CC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251659	1	43	0.0	-66.70	356.64	5.84	-60.86
CC1(C)C(C[NH3+])CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1(=O)=O	REAL300020251660	0	45	0.0	-75.91	358.79	1.39	-74.52
CC1(C)C(C[NH3+])CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1(=O)=O	REAL300020251660	1	45	0.0	-89.77	357.83	1.37	-88.40
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251661	0	48	0.0	-64.31	399.83	6.05	-58.26
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251662	0	42	0.0	-65.69	340.48	4.93	-60.76
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251662	1	42	0.0	-65.75	340.53	4.93	-60.82
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(CC[NH3+])=N1	REAL300020251663	0	38	0.0	-69.11	328.53	2.10	-67.01
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(CC[NH3+])=N1	REAL300020251663	1	38	0.0	-69.07	328.57	2.10	-66.97
O=C(CC1C[NH2+]C2(C1)CCOCC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251664	0	47	0.0	-53.59	355.43	4.06	-49.53
O=C(CC1C[NH2+]C2(C1)CCOCC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251664	1	47	0.0	-53.63	355.47	4.06	-49.57
[NH3+]C1CCN(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=N2)CC1	REAL300020251665	0	47	0.0	-74.31	371.53	3.40	-70.91
[NH3+]C1CCN(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=N2)CC1	REAL300020251665	1	47	0.0	-74.30	371.49	3.40	-70.90
O=C(COCC1CC[NH2+]CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251666	0	43	0.0	-65.45	342.29	4.38	-61.07
O=C(COCC1CC[NH2+]CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251666	1	43	0.0	-65.43	342.34	4.39	-61.04
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251667	0	38	0.0	-62.78	338.30	2.97	-59.81
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251668	0	46	0.0	-61.02	363.64	7.10	-53.92
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251668	1	46	0.0	-61.09	363.68	7.10	-53.99
CC1=CC=C(CC(C[NH3+])C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251669	0	45	0.0	-69.45	358.30	5.58	-63.87
CC1=CC=C(CC(C[NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251669	1	45	0.0	-69.46	358.36	5.58	-63.88
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251670	0	42	0.0	-53.14	349.23	4.65	-48.49
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251671	1	38	0.0	-80.33	327.25	-1.17	-81.50
O=C(CC12CCCCC1[NH2+]CCC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251672	0	49	0.0	-60.74	346.58	5.98	-54.76
O=C(CC12CCCCC1[NH2+]CCC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251672	1	49	0.0	-57.12	345.62	5.95	-51.17
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN=C1	REAL300020251673	0	38	0.0	-60.01	313.26	2.61	-57.40
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN=C1	REAL300020251673	1	38	0.0	-59.93	313.21	2.61	-57.32
CC1(C)C[NH2+]CCC1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251674	0	45	0.0	-62.72	331.44	4.83	-57.89
CC1(C)C[NH2+]CCC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251674	1	45	0.0	-62.74	331.49	4.85	-57.89
[NH3+]CC12C3C4C1C1C2C3C41C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251675	0	40	0.0	-76.79	322.63	4.70	-72.09
[NH3+]CC12C3C4C1C1C2C3C41C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251675	1	40	0.0	-76.81	322.68	4.70	-72.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@H]1CO[C@H]2C[NH2+]C[C@H]21	REAL300020251676	0	38	0.0	-43.70	296.69	1.78	-41.92
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@H]1CO[C@H]2C[NH2+]C[C@H]21	REAL300020251676	1	38	0.0	-43.75	296.73	1.78	-41.97
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C[NH3+]	REAL300020251679	0	40	0.0	-68.60	330.36	2.86	-65.74
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C[NH3+]	REAL300020251679	1	40	0.0	-68.56	330.40	2.87	-65.69
CC1(C)C[NH2+]CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020251680	0	40	0.0	-59.76	312.76	3.28	-56.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1(C(F)F)CC[NH2+]CC1	REAL300020251681	0	39	0.0	-59.33	307.15	4.03	-55.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1(C(F)F)CC[NH2+]CC1	REAL300020251681	1	39	0.0	-59.34	307.19	4.04	-55.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]CC2=NC=CN2C1	REAL300020251682	1	40	0.0	-62.90	319.70	3.87	-59.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(CC2CCC[NH2+]C2)=N1	REAL300020251683	0	45	0.0	-49.25	370.72	4.86	-44.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(CC2CCC[NH2+]C2)=N1	REAL300020251683	1	45	0.0	-49.26	370.76	4.86	-44.40
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(CC2CC[NH2+]C2)=N1	REAL300020251684	0	45	0.0	-61.09	373.26	4.88	-56.21
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(CC2CC[NH2+]C2)=N1	REAL300020251684	1	45	0.0	-61.06	373.30	4.89	-56.17
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251685	0	42	0.0	-57.88	347.21	2.90	-54.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@H]1[NH2+][C@H]2C[C@@H]1C[C@@H]2O	REAL300020251686	0	38	0.0	-48.06	300.38	0.40	-47.66
[NH3+]CCCCC(CC(F)(F)F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251688	0	44	0.0	-71.64	355.58	4.17	-67.47
[NH3+]CCCCC(CC(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251688	1	44	0.0	-71.65	355.61	4.17	-67.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[NH2+]C2(C1)CCOCC2	REAL300020251689	0	44	0.0	-55.28	334.37	3.31	-51.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]C2(C1)CCOCC2	REAL300020251689	1	44	0.0	-55.32	334.42	3.31	-52.01
CC1(C)COC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C[NH2+]1	REAL300020251690	0	40	0.0	-54.91	314.19	3.17	-51.74
[NH3+]C1CC2(C1)CC1(CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C1)C2	REAL300020251692	0	47	0.0	-72.29	368.64	5.41	-66.88
[NH3+]C1CC2(C1)CC1(CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C1)C2	REAL300020251692	1	47	0.0	-72.27	368.68	5.41	-66.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC2=C1C[NH2+]CC2	REAL300020251693	0	39	0.0	-63.05	311.34	3.68	-59.37
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC2=C1C[NH2+]CC2	REAL300020251693	1	39	0.0	-63.09	311.39	3.68	-59.41
COC1=CC=C(CC([NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020251694	0	47	0.0	-58.12	381.71	3.50	-54.62
COC1=CC=C(C([NH3+])CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020251695	0	42	0.0	-56.91	346.47	1.09	-55.82
COC1=CC=C(C([NH3+])CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020251695	1	42	0.0	-56.88	346.42	1.08	-55.80
N#CC1=CC=CC(CC([NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251696	0	40	0.0	-64.77	343.82	4.68	-60.09
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251697	0	42	0.0	-52.83	322.96	4.21	-48.62
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251697	1	42	0.0	-52.87	323.01	4.21	-48.66
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251698	0	45	0.0	-60.48	376.76	4.93	-55.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]C2(CCC2)CO1	REAL300020251699	0	41	0.0	-53.99	322.33	3.79	-50.20
[NH3+]CCN1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251700	0	44	0.0	-66.57	341.21	1.32	-65.25
[NH3+]CCN1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251700	1	44	0.0	-66.52	341.25	1.32	-65.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)NC2=C1C[NH2+]CC2	REAL300020251701	0	40	0.0	-81.83	321.46	2.34	-79.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)NC2=C1C[NH2+]CC2	REAL300020251701	1	40	0.0	-81.85	321.51	2.34	-79.51
CN(C)C1C[NH2+]CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020251702	0	44	0.0	-57.34	332.45	1.63	-55.71
CN(C)C1C[NH2+]CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251702	1	44	0.0	-57.37	332.50	1.65	-55.72
[NH3+]CCCCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300020251704	0	41	0.0	-84.62	336.67	0.31	-84.31
[NH3+]CCCCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300020251704	1	41	0.0	-84.68	336.61	0.28	-84.40
O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCCC1C1=N[N-]N=N1	REAL300020251705	0	41	0.0	-74.48	320.85	1.58	-72.90
O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCCC1C1=NN=N[N-]1	REAL300020251705	1	41	0.0	-74.46	320.90	1.61	-72.85
O=C(C1=CN(C2CCC[NH2+]C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251707	0	43	0.0	-80.47	334.34	2.17	-78.30
O=C(C1=CN(C2CCC[NH2+]C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251707	1	43	0.0	-80.51	334.28	2.15	-78.36
[NH3+]C1CCCCN(CC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020251708	0	43	0.0	-83.20	320.16	1.36	-81.84
[NH3+]C1CCCCN(CC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020251708	1	43	0.0	-83.23	320.22	1.39	-81.84
[NH3+]C(CCC(=O)N1CCCC1C1=N[N-]N=N1)CC1CCCCC1	REAL300020251709	0	51	0.0	-87.18	376.64	4.33	-82.85
[NH3+]C(CCC(=O)N1CCCC1C1=NN=N[N-]1)CC1CCCCC1	REAL300020251709	1	51	0.0	-87.21	376.70	4.36	-82.85
O=C(C1=CN=C(C2CC[NH2+]CC2)O1)N1CCCC1C1=N[N-]N=N1	REAL300020251711	0	42	0.0	-84.32	334.63	0.33	-83.99
O=C(C1=CN=C(C2CC[NH2+]CC2)O1)N1CCCC1C1=NN=N[N-]1	REAL300020251711	1	42	0.0	-84.31	334.69	0.35	-83.96
O=C(C1=CC2=C(CC[NH2+]C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020251712	0	37	0.0	-84.90	303.38	2.75	-82.15
O=C(C1=CC2=C(CC[NH2+]C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020251712	1	37	0.0	-84.95	303.44	2.77	-82.18
[NH3+]CC1CCCC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020251713	0	46	0.0	-78.90	347.23	3.90	-75.00
[NH3+]CC1CCCC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020251713	1	46	0.0	-78.87	347.29	3.92	-74.95
O=C(C1=CN(C2CCC[NH2+]CC2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251714	0	45	0.0	-82.99	346.49	1.81	-81.18
O=C(C1=CN(C2CCC[NH2+]CC2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251714	1	45	0.0	-83.02	346.44	1.78	-81.24
O=C(C1=CNN=C1C1CC[NH2+]C1)N1CCCC1C1=N[N-]N=N1	REAL300020251715	0	40	0.0	-69.85	315.21	0.81	-69.04
O=C(C1=CNN=C1C1CC[NH2+]C1)N1CCCC1C1=NN=N[N-]1	REAL300020251715	1	40	0.0	-69.84	315.27	0.82	-69.02
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251716	0	46	0.0	-70.46	362.94	2.86	-67.60
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251716	1	46	0.0	-70.52	363.02	2.88	-67.64
COC1=CC=CC(CC([NH3+])C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251717	0	43	0.0	-61.57	343.01	1.94	-59.63
COC1=CC=CC(CC([NH3+])C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251717	1	43	0.0	-61.54	343.07	1.97	-59.57
O=C(C1=C(Br)C2=C(C[NH2+]C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020251719	1	34	0.0	-86.27	304.16	2.67	-83.60
O=C(C1=CC(C2CC[NH2+]CC2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL300020251720	0	42	0.0	-75.74	332.55	2.65	-73.09
O=C(C1=CC(C2CC[NH2+]CC2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL300020251720	1	42	0.0	-75.74	332.61	2.67	-73.07
O=C(C1=NOC2(C1)CCC[NH2+]C2)N1CCCC1C1=N[N-]N=N1	REAL300020251721	0	41	0.0	-66.22	320.75	1.57	-64.65
O=C(C1=NOC2(C1)CCC[NH2+]C2)N1CCCC1C1=NN=N[N-]1	REAL300020251721	1	41	0.0	-66.21	320.80	1.59	-64.62
O=C(CC1=CC=CC2=C1CC[NH2+]C2)N1CCCC1C1=N[N-]N=N1	REAL300020251722	0	43	0.0	-78.01	336.09	4.61	-73.40
O=C(CC1=CC=CC2=C1CC[NH2+]C2)N1CCCC1C1=NN=N[N-]1	REAL300020251722	1	43	0.0	-77.99	336.14	4.64	-73.35
O=C(C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251723	0	45	0.0	-78.78	362.68	2.29	-76.49
O=C(C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251723	1	45	0.0	-78.81	362.74	2.32	-76.49
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251724	0	47	0.0	-69.51	364.72	3.61	-65.90
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251724	1	47	0.0	-76.40	362.92	3.66	-72.74
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251724	1	47	0.0	-69.55	364.78	3.64	-65.91
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251724	1	47	0.0	-76.45	362.98	3.69	-72.76
[NH3+]C1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCN(CC2=CC=CC=C2)CC1	REAL300020251725	0	54	0.0	-51.88	398.24	3.10	-48.78
[NH3+]C1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCN(CC2=CC=CC=C2)CC1	REAL300020251725	1	54	0.0	-51.88	398.29	3.13	-48.75
O=C(C1=CSC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251726	0	42	0.0	-89.41	341.31	2.95	-86.46
O=C(C1=CSC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251726	1	42	0.0	-89.41	341.37	2.97	-86.44
O=C(C1=CNC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251727	0	43	0.0	-89.82	336.56	2.51	-87.31
O=C(C1=CNC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251727	1	43	0.0	-89.82	336.62	2.53	-87.29
CC(C)C([NH3+])C(=O)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251728	0	45	0.0	-82.63	352.64	0.06	-82.57
CC(C)C([NH3+])C(=O)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251728	1	45	0.0	-82.66	352.70	0.08	-82.58
O=C(C1=CC=NC(N2CC[NH2+]CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251729	0	44	0.0	-60.89	334.05	1.31	-59.58
O=C(C1=CC=NC(N2CC[NH2+]CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251729	1	44	0.0	-60.87	333.98	1.31	-59.56
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(C2CC[NH2+]CC2)=N1	REAL300020251730	0	45	0.0	-84.03	358.34	2.96	-81.07
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(C2CC[NH2+]CC2)=N1	REAL300020251730	1	45	0.0	-84.04	358.39	2.97	-81.07
[NH3+]C1CCOC2(CC(C(=O)N3CCCC3C3=N[N-]N=N3)C2)C1	REAL300020251731	0	44	0.0	-81.43	336.84	0.93	-80.50
[NH3+]C1CCOC2(CC(C(=O)N3CCCC3C3=NN=N[N-]3)C2)C1	REAL300020251731	1	44	0.0	-81.40	336.90	0.95	-80.45
O=C(C1=CN=C(CC2CC[NH2+]CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020251732	0	45	0.0	-83.78	359.79	3.05	-80.73
O=C(C1=CN=C(CC2CC[NH2+]CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020251732	1	45	0.0	-83.80	359.85	3.07	-80.73
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251733	0	42	0.0	-61.07	342.68	3.20	-57.87
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251733	1	42	0.0	-61.08	342.74	3.22	-57.86
N#CC1C[NH2+]CC12CC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL300020251734	0	41	0.0	-83.55	316.37	2.42	-81.13
N#CC1C[NH2+]CC12CC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL300020251734	1	41	0.0	-83.56	316.43	2.45	-81.11
CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251735	0	38	0.0	-77.80	317.04	-2.83	-80.63
CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251735	1	38	0.0	-77.79	317.10	-2.80	-80.59
[NH3+]CCC1=CN2N=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2N=C1	REAL300020251736	0	41	0.0	-103.70	336.47	1.33	-102.37
[NH3+]CCC1=CN2N=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2N=C1	REAL300020251736	1	41	0.0	-103.70	336.41	1.31	-102.39
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)N1CCCC1C1=N[N-]N=N1	REAL300020251737	0	43	0.0	-101.56	336.03	-0.45	-102.01
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)N1CCCC1C1=NN=N[N-]1	REAL300020251737	1	43	0.0	-101.54	336.09	-0.42	-101.96
[NH3+][C@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020251738	0	42	0.0	-64.63	333.62	3.69	-60.94
[NH3+][C@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020251738	1	42	0.0	-64.67	333.68	3.72	-60.95
O=C(C1=CC=CC2=C1OCC[NH2+]C2)N1CCCC1C1=N[N-]N=N1	REAL300020251740	0	41	0.0	-86.64	320.77	3.45	-83.19
O=C(C1=CC=CC2=C1OCC[NH2+]C2)N1CCCC1C1=NN=N[N-]1	REAL300020251740	1	41	0.0	-86.67	320.82	3.46	-83.21
[NH3+]C1CCCN2N=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C12	REAL300020251741	0	40	0.0	-83.56	317.01	0.85	-82.71
[NH3+]C1CCCN2N=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C12	REAL300020251741	1	40	0.0	-83.53	317.07	0.87	-82.66
O=C(C1CC(=O)N(C2C[NH2+]C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300020251742	0	41	0.0	-72.06	321.15	0.74	-71.32
O=C(C1CC(=O)N(C2C[NH2+]C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300020251742	1	41	0.0	-72.11	321.21	0.76	-71.35
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251743	0	46	0.0	-50.27	361.94	3.26	-47.01
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251743	1	46	0.0	-50.27	362.00	3.28	-46.99
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251744	0	46	0.0	-62.01	362.11	3.25	-58.76
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251744	1	46	0.0	-62.04	362.17	3.28	-58.76
O=C(CCCCC1CC[NH2+]CC1)N1CCCC1C1=N[N-]N=N1	REAL300020251745	0	48	0.0	-78.87	362.87	4.81	-74.06
O=C(CCCCC1CC[NH2+]CC1)N1CCCC1C1=NN=N[N-]1	REAL300020251745	1	48	0.0	-78.85	362.93	4.84	-74.01
[NH3+][C@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1=CC=C(Br)C=C1	REAL300020251746	0	42	0.0	-68.17	354.91	4.32	-63.85
[NH3+][C@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1=CC=C(Br)C=C1	REAL300020251746	1	42	0.0	-68.23	354.97	4.34	-63.89
[NH3+]CC1=CN2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)N=C2C=C1	REAL300020251747	0	39	0.0	-98.63	322.80	2.94	-95.69
[NH3+]CC1=CN2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)N=C2C=C1	REAL300020251747	1	39	0.0	-98.65	322.74	2.92	-95.73
[NH3+]CCN1C=C(Br)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020251748	0	39	0.0	-101.32	346.65	1.60	-99.72
[NH3+]CCN1C=C(Br)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020251748	1	39	0.0	-101.28	346.71	1.61	-99.67
[NH3+]CCN1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020251749	0	43	0.0	-83.76	337.66	1.17	-82.59
[NH3+]CCN1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020251749	1	43	0.0	-83.74	337.72	1.19	-82.55
CCCCCCCCC([NH3+])C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251750	0	50	0.0	-66.62	383.14	4.34	-62.28
CCCCCCCCC([NH3+])C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251750	1	50	0.0	-66.66	383.19	4.36	-62.30
CC1[NH2+]CCN2C(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C12	REAL300020251751	0	41	0.0	-78.12	315.42	2.92	-75.20
CC1[NH2+]CCN2C(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C12	REAL300020251751	1	41	0.0	-78.08	315.48	2.93	-75.15
[NH3+]C1CCC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2NC1=O	REAL300020251752	0	44	0.0	-87.52	343.02	0.98	-86.54
[NH3+]C1CCC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2NC1=O	REAL300020251752	1	44	0.0	-87.55	343.07	1.00	-86.55
[NH3+]CCCC1=CC=C(OCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020251753	0	46	0.0	-91.42	372.01	4.19	-87.23
[NH3+]CCCC1=CC=C(OCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020251753	1	46	0.0	-91.45	372.06	4.21	-87.24
[NH3+][C@@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020251755	0	42	0.0	-64.69	333.66	3.68	-61.01
[NH3+][C@@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020251755	1	42	0.0	-64.65	333.71	3.71	-60.94
[NH3+][C@@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1CCCCC1	REAL300020251756	0	48	0.0	-53.97	354.74	3.86	-50.11
[NH3+][C@@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1CCCCC1	REAL300020251756	1	48	0.0	-54.03	354.79	3.89	-50.14
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C(C(C)[NH3+])S1	REAL300020251757	0	38	0.0	-89.17	316.67	0.99	-88.18
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C(C(C)[NH3+])S1	REAL300020251757	1	38	0.0	-89.19	316.74	1.01	-88.18
O=C(C1=CSC(N2CC[NH2+]CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251758	0	41	0.0	-87.60	335.17	1.54	-86.06
O=C(C1=CSC(N2CC[NH2+]CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251758	1	41	0.0	-87.61	335.11	1.51	-86.10
O=C(C1=CC=C2OCC[NH2+]CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251759	0	41	0.0	-83.95	319.77	2.40	-81.55
O=C(C1=CC=C2OCC[NH2+]CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251759	1	41	0.0	-83.94	319.83	2.43	-81.51
CC1CN2N=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2C[NH2+]1	REAL300020251760	1	40	0.0	-88.75	318.15	1.88	-86.87
CC1CN2N=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2C[NH2+]1	REAL300020251760	1	40	0.0	-88.73	318.21	1.90	-86.83
O=C(C1=CN=C(C2CCC[NH2+]2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251761	0	41	0.0	-70.47	324.80	1.73	-68.74
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C(CC[NH3+])S1	REAL300020251762	0	38	0.0	-92.56	318.57	1.07	-91.49
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C(CC[NH3+])S1	REAL300020251762	1	38	0.0	-92.58	318.63	1.10	-91.48
CC[NH2+]CC1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300020251763	0	48	0.0	-82.12	361.58	4.85	-77.27
CC[NH2+]CC1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300020251763	1	48	0.0	-82.10	361.64	4.87	-77.23
O=C(C1CC[NH2+]C(C2CCCO2)C1)N1CCCC1C1=N[N-]N=N1	REAL300020251764	0	47	0.0	-52.41	340.62	2.60	-49.81
O=C(C1CC[NH2+]C(C2CCCO2)C1)N1CCCC1C1=NN=N[N-]1	REAL300020251764	1	47	0.0	-52.43	340.68	2.62	-49.81
O=C(C1=CC=C2C[NH2+]CCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251766	0	41	0.0	-54.38	313.01	1.93	-52.45
O=C(C1=CC=C2C[NH2+]CCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251766	1	41	0.0	-54.03	313.31	1.91	-52.12
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C1CC[NH2+]CC1	REAL300020251767	0	39	0.0	-65.26	303.76	2.50	-62.76
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C1CC[NH2+]CC1	REAL300020251767	1	39	0.0	-65.27	303.82	2.52	-62.75
[NH3+][C@@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1=CC(F)=C(F)C=C1F	REAL300020251768	0	42	0.0	-65.13	347.44	4.02	-61.11
[NH3+][C@@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1=CC(F)=C(F)C=C1F	REAL300020251768	1	42	0.0	-65.19	347.49	4.05	-61.14
[NH3+]CCC1(CC(=O)N2CCCC2C2=N[N-]N=N2)COCCO1	REAL300020251769	0	44	0.0	-93.61	332.36	0.39	-93.22
[NH3+]CCC1(CC(=O)N2CCCC2C2=NN=N[N-]2)COCCO1	REAL300020251769	1	44	0.0	-93.66	332.42	0.42	-93.24
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251770	0	45	0.0	-64.99	355.67	4.48	-60.51
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251770	1	45	0.0	-65.01	355.73	4.50	-60.51
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251771	0	45	0.0	-56.07	355.67	4.48	-51.59
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251771	1	45	0.0	-56.10	355.72	4.50	-51.60
[NH3+]CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300020251772	0	39	0.0	-56.90	347.14	3.18	-53.72
[NH3+]CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300020251772	1	39	0.0	-56.91	347.20	3.21	-53.70
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)N3CCCC3C3=N[N-]N=N3)C2)C1	REAL300020251773	0	46	0.0	-94.04	361.92	-0.59	-94.63
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)N3CCCC3C3=NN=N[N-]3)C2)C1	REAL300020251773	1	46	0.0	-94.07	361.98	-0.56	-94.63
[NH3+]C1CCC2(CC(C(=O)N3CCCC3C3=N[N-]N=N3)C2)CC1	REAL300020251774	0	46	0.0	-90.74	343.77	3.04	-87.70
[NH3+]C1CCC2(CC(C(=O)N3CCCC3C3=NN=N[N-]3)C2)CC1	REAL300020251774	1	46	0.0	-90.78	343.83	3.06	-87.72
[NH3+]C(CCSC(F)(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251775	0	36	0.0	-71.46	318.61	1.49	-69.97
[NH3+]C(CCSC(F)(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251775	1	36	0.0	-71.46	318.67	1.51	-69.95
[NH3+]CC1(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=N2)CCC1	REAL300020251776	0	45	0.0	-70.39	339.10	1.69	-68.70
[NH3+]CC1(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=N2)CCC1	REAL300020251776	1	45	0.0	-70.37	339.05	1.70	-68.67
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251777	0	44	0.0	-84.81	356.28	0.96	-83.85
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251777	1	44	0.0	-84.81	356.34	0.98	-83.83
CN1C(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C1CCCC[NH2+]1	REAL300020251778	0	47	0.0	-74.25	348.60	4.98	-69.27
CN1C(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C1CCCC[NH2+]1	REAL300020251778	1	47	0.0	-74.25	348.65	5.00	-69.25
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(N2CC[NH2+]CC2)=N1	REAL300020251779	0	44	0.0	-87.11	350.77	1.50	-85.61
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(N2CC[NH2+]CC2)=N1	REAL300020251779	1	44	0.0	-87.02	350.83	1.52	-85.50
O=C(C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300020251780	0	50	0.0	-73.83	372.39	2.98	-70.85
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251781	0	42	0.0	-79.31	337.56	-1.73	-81.04
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251781	1	42	0.0	-79.32	337.62	-1.70	-81.02
O=C(C1=CC2=C(C[NH2+]CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020251782	0	37	0.0	-88.08	303.38	2.72	-85.36
O=C(C1=CC2=C(C[NH2+]CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020251782	1	37	0.0	-88.02	303.44	2.75	-85.27
O=C(C1=CC=CC2=C1C[NH2+]CCO2)N1CCCC1C1=N[N-]N=N1	REAL300020251783	0	41	0.0	-53.10	317.58	2.59	-50.51
O=C(C1=CC=CC2=C1C[NH2+]CCO2)N1CCCC1C1=NN=N[N-]1	REAL300020251783	1	41	0.0	-53.12	317.63	2.61	-50.51
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251784	0	45	0.0	-82.33	366.63	3.16	-79.17
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251784	1	45	0.0	-82.30	366.69	3.19	-79.11
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251785	0	39	0.0	-54.92	321.17	2.80	-52.12
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251785	1	39	0.0	-54.94	321.22	2.82	-52.12
[NH3+]C(CC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCCCC1	REAL300020251786	0	48	0.0	-61.31	343.74	3.51	-57.80
[NH3+]C(CC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCCCC1	REAL300020251786	1	48	0.0	-61.34	343.80	3.54	-57.80
[NH3+]C1CCN2N=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2C1	REAL300020251787	0	40	0.0	-82.62	314.25	0.26	-82.36
[NH3+]C1CCN2N=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2C1	REAL300020251787	1	40	0.0	-82.60	314.31	0.27	-82.33
O=C(C1=COC([C@@H]2CCC[NH2+]2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251788	0	39	0.0	-75.84	316.15	0.29	-75.55
O=C(C1=CC(Br)=C2OCC[NH2+]CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251790	0	41	0.0	-59.29	333.53	2.65	-56.64
O=C(C1=CC(Br)=C2OCC[NH2+]CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251790	1	41	0.0	-59.29	333.58	2.64	-56.65
O=C(C1=NN2CC3(CC[NH2+]CC3)OCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251791	0	48	0.0	-92.45	363.19	1.87	-90.58
O=C(C1=NN2CC3(CC[NH2+]CC3)OCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251791	1	48	0.0	-92.47	363.24	1.90	-90.57
O=C(C1=C2C[NH2+]CCN2C(Br)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251792	1	37	0.0	-74.39	315.94	2.70	-71.69
O=C(C1=C2C[NH2+]CCN2C(Br)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251792	1	37	0.0	-74.38	315.88	2.67	-71.71
[NH3+][C@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1CCCCC1	REAL300020251793	0	48	0.0	-63.27	354.73	3.86	-59.41
[NH3+][C@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1CCCCC1	REAL300020251793	1	48	0.0	-63.28	354.79	3.89	-59.39
O=C(C1=CC=C(C2CCC[NH2+]2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020251794	0	40	0.0	-80.55	325.10	3.55	-77.00
O=C(C1=CC=C(C2CCC[NH2+]2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020251794	1	40	0.0	-80.53	325.17	3.57	-76.96
CC1=CC=CN=C1CC([NH3+])C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251795	0	41	0.0	-53.89	321.15	1.34	-52.55
CC1=CC=CN=C1CC([NH3+])C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251795	1	41	0.0	-53.93	321.20	1.36	-52.57
[NH3+]C(CCC1=CC=NC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251796	0	41	0.0	-69.69	329.72	1.65	-68.04
[NH3+]C(CCC1=CC=NC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251796	1	41	0.0	-69.68	329.78	1.68	-68.00
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020251797	0	41	0.0	-80.01	324.41	-0.84	-80.85
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020251797	1	41	0.0	-80.00	324.35	-0.85	-80.85
O=C(C1=CSC(C2CCC[NH2+]C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251798	0	42	0.0	-88.47	341.45	2.94	-85.53
O=C(C1=CSC(C2CCC[NH2+]C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251798	1	42	0.0	-88.45	341.51	2.97	-85.48
O=C(C1=CN(CCC2CCCC[NH2+]2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251799	0	48	0.0	-79.96	374.95	3.19	-76.77
O=C(C1=CN(CCC2CCCC[NH2+]2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251799	1	48	0.0	-79.97	374.89	3.17	-76.80
O=C([C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300020251800	0	46	0.0	-80.62	351.46	4.90	-75.72
O=C([C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300020251800	1	46	0.0	-80.61	351.51	4.92	-75.69
O=C(C1=CC(Br)=CC2=C1OCC[NH2+]C2)N1CCCC1C1=N[N-]N=N1	REAL300020251801	0	41	0.0	-80.73	340.82	4.04	-76.69
O=C(C1=CC(Br)=CC2=C1OCC[NH2+]C2)N1CCCC1C1=NN=N[N-]1	REAL300020251801	1	41	0.0	-80.69	340.87	4.05	-76.64
C[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251802	0	42	0.0	-56.39	331.26	4.43	-51.96
C[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251802	1	42	0.0	-56.41	331.32	4.46	-51.95
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251803	0	46	0.0	-67.79	357.12	4.59	-63.20
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251803	1	46	0.0	-67.78	357.18	4.62	-63.16
CC[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251804	0	45	0.0	-70.30	341.93	5.16	-65.14
CC[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251804	1	45	0.0	-70.33	341.96	5.19	-65.14
[NH3+][C@@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1=CC=C(Br)C=C1	REAL300020251805	0	42	0.0	-58.92	354.95	4.31	-54.61
[NH3+][C@@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1=CC=C(Br)C=C1	REAL300020251805	1	42	0.0	-58.91	355.01	4.33	-54.58
[NH3+]C(CCC1=CC=CC=N1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251806	0	41	0.0	-64.37	328.94	1.65	-62.72
[NH3+]C(CCC1=CC=CC=N1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251806	1	41	0.0	-64.37	329.00	1.68	-62.69
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251807	0	42	0.0	-64.73	334.73	3.42	-61.31
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251807	1	42	0.0	-64.74	334.78	3.44	-61.30
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251808	0	42	0.0	-64.69	334.81	3.43	-61.26
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251808	1	42	0.0	-64.69	334.87	3.45	-61.24
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC(C2CC[NH2+]CC2)=N1	REAL300020251809	0	46	0.0	-89.23	352.48	2.87	-86.36
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC(C2CC[NH2+]CC2)=N1	REAL300020251809	1	46	0.0	-89.25	352.54	2.88	-86.37
O=C(C1=NOC(CC2CCCC[NH2+]2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251810	0	45	0.0	-71.79	352.86	4.09	-67.70
O=C(C1=NOC(CC2CCCC[NH2+]2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251810	1	45	0.0	-71.74	352.92	4.12	-67.62
[NH3+]C(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020251811	0	39	0.0	-54.86	318.85	3.01	-51.85
[NH3+]C(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300020251811	1	39	0.0	-54.85	318.91	3.03	-51.82
O=C([C@@H]1CC[C@@H](C2CCC2)[NH2+]C1)N1CCCC1C1=N[N-]N=N1	REAL300020251812	0	46	0.0	-68.58	342.19	4.17	-64.41
O=C([C@@H]1CC[C@@H](C2CCC2)[NH2+]C1)N1CCCC1C1=NN=N[N-]1	REAL300020251812	1	46	0.0	-68.54	342.24	4.19	-64.35
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300020251813	0	43	0.0	-90.97	346.64	-1.41	-92.38
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300020251813	1	43	0.0	-90.94	346.58	-1.43	-92.37
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251815	0	39	0.0	-63.32	319.92	2.71	-60.61
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251815	1	39	0.0	-63.32	319.98	2.74	-60.58
[NH3+]C1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020251816	0	43	0.0	-66.74	330.65	3.40	-63.34
[NH3+]C1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020251816	1	43	0.0	-66.78	330.70	3.41	-63.37
O=C(C1CCC(C2CCC2)[NH2+]C1)N1CCCC1C1=N[N-]N=N1	REAL300020251817	0	46	0.0	-68.56	342.17	4.17	-64.39
O=C(C1CCC(C2CCC2)[NH2+]C1)N1CCCC1C1=NN=N[N-]1	REAL300020251817	1	46	0.0	-68.58	342.23	4.19	-64.39
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C1CCC[NH2+]C1	REAL300020251818	0	39	0.0	-72.18	302.31	2.48	-69.70
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C1CCC[NH2+]C1	REAL300020251818	1	39	0.0	-72.20	302.37	2.51	-69.69
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251819	0	43	0.0	-63.88	325.91	2.38	-61.50
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251819	1	43	0.0	-63.81	325.92	2.37	-61.44
O=C(C1=CN(CC2C[NH2+]CCO2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251820	0	43	0.0	-84.90	346.22	0.16	-84.74
O=C(C1=CN(CC2C[NH2+]CCO2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251820	1	43	0.0	-84.88	346.16	0.14	-84.74
[NH3+]CC1=C(Cl)SC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251821	0	33	0.0	-76.81	296.49	1.10	-75.71
[NH3+]CC1=C(Cl)SC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251821	1	33	0.0	-76.82	296.55	1.13	-75.69
O=C(C1CCC2(CC[NH2+]C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300020251822	0	46	0.0	-81.09	332.89	3.54	-77.55
O=C(C1CCC2(CC[NH2+]C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300020251822	1	46	0.0	-81.07	332.94	3.56	-77.51
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251823	0	46	0.0	-55.27	370.48	3.04	-52.23
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251823	1	46	0.0	-55.28	370.53	3.06	-52.22
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251824	0	46	0.0	-55.23	370.49	3.04	-52.19
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251824	1	46	0.0	-55.22	370.54	3.06	-52.16
O=C(C1=NOC(CC2CC[NH2+]CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251825	0	45	0.0	-76.01	352.81	3.83	-72.18
O=C(C1=NOC(CC2CC[NH2+]CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251825	1	45	0.0	-76.01	352.87	3.86	-72.15
O=C(C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020251826	0	43	0.0	-82.68	347.23	4.39	-78.29
O=C(C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020251826	1	43	0.0	-82.71	347.29	4.40	-78.31
O=C(C1=NN(C2CC[NH2+]CC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251827	0	43	0.0	-94.27	337.03	2.82	-91.45
O=C(C1=NN(C2CC[NH2+]CC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251827	1	43	0.0	-94.27	336.97	2.79	-91.48
[NH3+][C@H](COCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251828	0	43	0.0	-57.42	349.59	2.00	-55.42
[NH3+][C@@H](COCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251829	0	43	0.0	-57.41	349.67	2.01	-55.40
O=C(C1=CC2=C(CCC[NH2+]C2)O1)N1CCCC1C1=N[N-]N=N1	REAL300020251830	0	40	0.0	-81.51	314.59	2.94	-78.57
O=C(C1=CC2=C(CCC[NH2+]C2)O1)N1CCCC1C1=NN=N[N-]1	REAL300020251830	1	40	0.0	-81.46	314.64	2.97	-78.49
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251831	0	43	0.0	-64.22	352.73	2.25	-61.97
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251831	1	43	0.0	-64.27	352.79	2.27	-62.00
[NH3+]CCCCCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251832	0	50	0.0	-83.22	389.24	4.51	-78.71
[NH3+]CCCCCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251832	1	50	0.0	-83.21	389.30	4.53	-78.68
[NH3+]CC1=CC=C(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C=C1	REAL300020251835	0	46	0.0	-77.94	359.90	4.51	-73.43
[NH3+]CC1=CC=C(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C=C1	REAL300020251835	1	46	0.0	-77.98	359.96	4.52	-73.46
O=C(CC1CC2(C[NH2+]1)CCOCC2)N1CCCC1C1=N[N-]N=N1	REAL300020251836	0	47	0.0	-62.40	349.17	2.42	-59.98
O=C(CC1CC2(C[NH2+]1)CCOCC2)N1CCCC1C1=NN=N[N-]1	REAL300020251836	1	47	0.0	-62.41	349.23	2.44	-59.97
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=C1	REAL300020251837	0	46	0.0	-72.13	359.91	4.50	-67.63
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=C1	REAL300020251837	1	46	0.0	-72.11	359.97	4.51	-67.60
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251838	0	43	0.0	-82.95	347.12	4.01	-78.94
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251838	1	43	0.0	-82.92	347.18	4.02	-78.90
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020251839	0	43	0.0	-90.52	347.06	4.02	-86.50
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020251839	1	43	0.0	-90.50	347.12	4.04	-86.46
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020251840	0	46	0.0	-38.85	358.19	4.53	-34.32
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020251840	1	46	0.0	-38.87	358.26	4.52	-34.35
[NH3+][C@@H](CCSC(F)(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251841	0	36	0.0	-65.56	317.87	1.46	-64.10
[NH3+][C@@H](CCSC(F)(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251841	1	36	0.0	-65.59	317.93	1.49	-64.10
[NH3+]CC1=CC=CC=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251842	0	42	0.0	-63.60	332.12	3.35	-60.25
[NH3+]CC1=CC=CC=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251842	1	42	0.0	-63.56	332.18	3.38	-60.18
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=C1	REAL300020251844	0	46	0.0	-91.67	365.70	4.99	-86.68
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=C1	REAL300020251844	1	46	0.0	-91.69	365.76	5.01	-86.68
O=C(CN1C=NC2=C1CC[NH2+]C21CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300020251845	0	51	0.0	-63.40	385.79	4.33	-59.07
O=C(CN1C=NC2=C1CC[NH2+]C21CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300020251845	1	51	0.0	-63.42	385.85	4.36	-59.06
[NH3+]C(CC1=CC=CC(Br)=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251846	0	39	0.0	-62.56	334.80	3.26	-59.30
[NH3+]C(CC1=CC=CC(Br)=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251846	1	39	0.0	-62.58	334.86	3.28	-59.30
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)N1CCCC1C1=N[N-]N=N1	REAL300020251847	0	43	0.0	-58.55	335.87	4.95	-53.60
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)N1CCCC1C1=NN=N[N-]1	REAL300020251847	1	43	0.0	-58.58	335.92	4.98	-53.60
[NH3+]CC1=CC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300020251848	0	42	0.0	-96.82	338.59	3.83	-92.99
[NH3+]CC1=CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300020251848	1	42	0.0	-96.79	338.65	3.85	-92.94
[NH3+]C1(CC(=O)N2CCCC2C2=N[N-]N=N2)CS(=O)(=O)C1	REAL300020251849	1	36	0.0	-64.51	295.01	-3.18	-67.69
[NH3+]C1(CC(=O)N2CCCC2C2=NN=N[N-]2)CS(=O)(=O)C1	REAL300020251849	1	36	0.0	-64.52	295.07	-3.15	-67.67
O=C(CC1COC2(C1)CC[NH2+]CC2)N1CCCC1C1=N[N-]N=N1	REAL300020251850	0	47	0.0	-77.78	352.97	2.73	-75.05
O=C(CC1COC2(C1)CC[NH2+]CC2)N1CCCC1C1=NN=N[N-]1	REAL300020251850	1	47	0.0	-77.77	353.02	2.75	-75.02
O=C(CC1C[NH2+]C2CCCCC12)N1CCCC1C1=N[N-]N=N1	REAL300020251851	0	46	0.0	-57.35	339.33	3.86	-53.49
O=C(CC1C[NH2+]C2CCCCC12)N1CCCC1C1=NN=N[N-]1	REAL300020251851	1	46	0.0	-57.30	339.39	3.89	-53.41
O=C(C1=CN(C[C@@H]2CCC[NH2+]2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251852	0	42	0.0	-71.27	335.87	1.92	-69.35
O=C(C1=CN(C[C@@H]2CCC[NH2+]2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251852	1	42	0.0	-71.30	335.81	1.89	-69.41
COC1=CC=C(C[NH3+])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251853	0	40	0.0	-62.72	310.04	1.76	-60.96
COC1=CC=C(C[NH3+])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251853	1	40	0.0	-62.76	310.10	1.76	-61.00
[NH3+]C1CCCC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020251854	0	43	0.0	-58.21	323.06	2.88	-55.33
[NH3+]C1CCCC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020251854	1	43	0.0	-58.21	323.12	2.88	-55.33
CN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C2=C1CC[NH2+]C2	REAL300020251855	0	40	0.0	-73.21	315.90	1.91	-71.30
CN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C2=C1CC[NH2+]C2	REAL300020251855	1	40	0.0	-73.21	315.96	1.94	-71.27
[NH3+]CC1=CC=CC(OCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251856	0	40	0.0	-83.67	329.00	2.63	-81.04
[NH3+]CC1=CC=CC(OCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251856	1	40	0.0	-83.68	329.06	2.65	-81.03
[NH3+]CC1=CC=CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020251857	0	42	0.0	-65.20	325.92	3.16	-62.04
[NH3+]CC1=CC=CC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020251857	1	42	0.0	-65.19	325.85	3.17	-62.02
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251858	0	38	0.0	-64.93	324.63	1.23	-63.70
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251858	1	38	0.0	-64.88	324.57	1.20	-63.68
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)=C1	REAL300020251859	0	46	0.0	-95.32	365.72	4.99	-90.33
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)=C1	REAL300020251859	1	46	0.0	-95.31	365.77	5.01	-90.30
O=C(C1=CC2=C(CCC[NH2+]C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020251860	0	40	0.0	-78.71	320.26	3.37	-75.34
O=C(C1=CC2=C(CCC[NH2+]C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020251860	1	40	0.0	-78.72	320.32	3.39	-75.33
[NH3+]C1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CCC1(F)F	REAL300020251861	0	42	0.0	-78.96	313.16	1.79	-77.17
[NH3+]C1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CCC1(F)F	REAL300020251861	1	42	0.0	-79.00	313.22	1.81	-77.19
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300020251862	0	48	0.0	-84.72	347.58	3.63	-81.09
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300020251862	1	48	0.0	-84.74	347.63	3.66	-81.08
[NH3+]CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020251863	0	39	0.0	-66.07	324.93	2.76	-63.31
[NH3+]CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020251863	1	39	0.0	-66.06	324.99	2.78	-63.28
[NH3+]C1CCCC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2C1	REAL300020251864	0	46	0.0	-82.55	347.02	3.74	-78.81
[NH3+]C1CCCC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2C1	REAL300020251864	1	46	0.0	-82.55	347.08	3.76	-78.79
COC1=CC=C(C([NH3+])CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020251865	0	43	0.0	-61.96	362.38	2.90	-59.06
COC1=CC=C(C([NH3+])CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020251865	1	43	0.0	-61.94	362.44	2.93	-59.01
[NH3+]C(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020251866	0	39	0.0	-68.74	323.78	3.07	-65.67
[NH3+]C(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020251866	1	39	0.0	-68.77	323.84	3.10	-65.67
[NH3+][C@@H](CC1=CC=C(Br)C=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251867	0	39	0.0	-61.64	334.02	3.26	-58.38
[NH3+][C@@H](CC1=CC=C(Br)C=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251867	1	39	0.0	-61.67	334.07	3.29	-58.38
CC1=CC=CC(C(C[NH3+])C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251868	0	42	0.0	-52.78	335.06	3.10	-49.68
CC1=CC=CC(C(C[NH3+])C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251868	1	42	0.0	-52.76	335.12	3.12	-49.64
[NH3+]C(CCOCC(F)(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251869	0	39	0.0	-76.43	329.24	0.16	-76.27
[NH3+]C(CCOCC(F)(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251869	1	39	0.0	-76.43	329.30	0.18	-76.25
O=C(C1=COC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251870	0	42	0.0	-84.95	334.70	0.92	-84.03
O=C(C1=COC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251870	1	42	0.0	-84.95	334.76	0.95	-84.00
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300020251871	0	42	0.0	-78.94	333.23	1.25	-77.69
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300020251871	1	42	0.0	-78.96	333.17	1.23	-77.73
[NH3+]C1CC2(C1)CCC(C(=O)N1CCCC1C1=N[N-]N=N1)CC2	REAL300020251872	0	46	0.0	-82.30	338.96	2.81	-79.49
[NH3+]C1CC2(C1)CCC(C(=O)N1CCCC1C1=NN=N[N-]1)CC2	REAL300020251872	1	46	0.0	-82.28	339.02	2.83	-79.45
O=C(CC1CCC2(CC[NH2+]CC2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300020251873	0	52	0.0	-82.37	366.27	5.05	-77.32
O=C(CC1CCC2(CC[NH2+]CC2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300020251873	1	52	0.0	-82.39	366.33	5.07	-77.32
O=C(C1C[NH2+]CC2=CC=NN2C1)N1CCCC1C1=N[N-]N=N1	REAL300020251874	0	40	0.0	-67.84	315.49	1.39	-66.45
O=C(C1C[NH2+]CC2=CC=NN2C1)N1CCCC1C1=NN=N[N-]1	REAL300020251874	1	40	0.0	-67.89	315.55	1.40	-66.49
O=C(C1=CSC(CC2CC[NH2+]C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251875	0	42	0.0	-85.45	345.66	3.04	-82.41
O=C(C1=CSC(CC2CC[NH2+]C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251875	1	42	0.0	-85.42	345.72	3.08	-82.34
O=C(CC1C[NH2+]C2(CCC2)CO1)N1CCCC1C1=N[N-]N=N1	REAL300020251876	0	44	0.0	-72.51	335.99	2.91	-69.60
O=C(CC1C[NH2+]C2(CCC2)CO1)N1CCCC1C1=NN=N[N-]1	REAL300020251876	1	44	0.0	-72.54	336.05	2.92	-69.62
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(C(C)[NH3+])=N1	REAL300020251877	0	38	0.0	-81.64	315.44	0.07	-81.57
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(C(C)[NH3+])=N1	REAL300020251877	1	38	0.0	-81.66	315.50	0.10	-81.56
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(CC2CC[NH2+]CC2)=N1	REAL300020251878	0	48	0.0	-82.36	377.45	3.79	-78.57
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(CC2CC[NH2+]CC2)=N1	REAL300020251878	1	48	0.0	-82.34	377.51	3.80	-78.54
O=C(C1=CSC(CC2CC[NH2+]CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251879	0	45	0.0	-80.12	361.90	3.84	-76.28
O=C(C1=CSC(CC2CC[NH2+]CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251879	1	45	0.0	-80.13	361.96	3.87	-76.26
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)N1CCCC1C1=N[N-]N=N1	REAL300020251880	0	42	0.0	-87.02	320.31	0.16	-86.86
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)N1CCCC1C1=NN=N[N-]1	REAL300020251880	1	42	0.0	-87.02	320.37	0.19	-86.83
O=C(CC1CCC2C[NH2+]CCC2C1)N1CCCC1C1=N[N-]N=N1	REAL300020251881	0	49	0.0	-78.55	359.17	4.84	-73.71
O=C(CC1CCC2C[NH2+]CCC2C1)N1CCCC1C1=NN=N[N-]1	REAL300020251881	1	49	0.0	-78.48	359.23	4.87	-73.61
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(C2CCC[NH2+]C2)=N1	REAL300020251882	0	45	0.0	-84.00	358.33	2.94	-81.06
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(C2CCC[NH2+]C2)=N1	REAL300020251882	1	45	0.0	-84.00	358.39	2.96	-81.04
O=C(C1=CC=C(F)C2=C1CC[NH2+]C2)N1CCCC1C1=N[N-]N=N1	REAL300020251883	0	40	0.0	-73.33	315.12	3.59	-69.74
O=C(C1=CC=C(F)C2=C1CC[NH2+]C2)N1CCCC1C1=NN=N[N-]1	REAL300020251883	1	40	0.0	-73.29	315.17	3.61	-69.68
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251884	0	38	0.0	-63.71	329.74	1.44	-62.27
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251884	1	38	0.0	-63.67	329.69	1.41	-62.26
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1C[NH3+]	REAL300020251885	0	42	0.0	-68.50	326.05	2.28	-66.22
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1C[NH3+]	REAL300020251885	1	42	0.0	-68.46	326.12	2.28	-66.18
C[NH2+]CC1=C(C)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020251886	0	45	0.0	-62.38	347.79	4.15	-58.23
C[NH2+]CC1=C(C)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020251886	1	45	0.0	-62.37	347.86	4.15	-58.22
[NH3+]CC(CC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251887	0	42	0.0	-88.82	325.27	3.10	-85.72
[NH3+]CC(CC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251887	1	42	0.0	-88.85	325.33	3.12	-85.73
O=C(C1COC2(C1)CC[NH2+]CC2)N1CCCC1C1=N[N-]N=N1	REAL300020251888	0	44	0.0	-74.06	326.00	1.72	-72.34
O=C(C1COC2(C1)CC[NH2+]CC2)N1CCCC1C1=NN=N[N-]1	REAL300020251888	1	44	0.0	-74.10	326.06	1.75	-72.35
O=C(CC1CC[NH2+]CCC1(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020251889	0	42	0.0	-72.03	314.63	3.15	-68.88
O=C(CC1CC[NH2+]CCC1(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020251889	1	42	0.0	-72.07	314.68	3.18	-68.89
C[NH2+]CC1=CC=CC(OCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251890	0	43	0.0	-78.32	350.75	4.50	-73.82
C[NH2+]CC1=CC=CC(OCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251890	1	43	0.0	-78.32	350.80	4.52	-73.80
CC1(C)C(C[NH3+])CC(C(=O)N2CCCC2C2=N[N-]N=N2)S1(=O)=O	REAL300020251891	0	45	0.0	-105.03	350.87	-0.03	-105.06
CC1(C)C(C[NH3+])CC(C(=O)N2CCCC2C2=NN=N[N-]2)S1(=O)=O	REAL300020251891	1	45	0.0	-105.02	350.93	-0.00	-105.02
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251892	0	48	0.0	-79.34	391.37	4.44	-74.90
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251892	1	48	0.0	-79.36	391.43	4.46	-74.90
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251893	0	42	0.0	-75.90	331.40	3.34	-72.56
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251893	1	42	0.0	-75.96	331.46	3.37	-72.59
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(CC[NH3+])=N1	REAL300020251894	0	38	0.0	-91.54	316.38	0.13	-91.41
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(CC[NH3+])=N1	REAL300020251894	1	38	0.0	-91.55	316.44	0.15	-91.40
O=C(CC1C[NH2+]C2(C1)CCOCC2)N1CCCC1C1=N[N-]N=N1	REAL300020251895	0	47	0.0	-64.64	347.74	2.53	-62.11
O=C(CC1C[NH2+]C2(C1)CCOCC2)N1CCCC1C1=NN=N[N-]1	REAL300020251895	1	47	0.0	-64.67	347.80	2.56	-62.11
[NH3+]C1CCN(C2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=N2)CC1	REAL300020251896	0	47	0.0	-71.87	353.94	1.02	-70.85
[NH3+]C1CCN(C2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=N2)CC1	REAL300020251896	1	47	0.0	-71.90	353.87	1.01	-70.89
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251897	0	38	0.0	-64.83	329.23	1.30	-63.53
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251897	1	38	0.0	-64.83	329.17	1.28	-63.55
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)N1CCCC1C1=N[N-]N=N1	REAL300020251898	0	46	0.0	-79.68	357.76	5.64	-74.04
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)N1CCCC1C1=NN=N[N-]1	REAL300020251898	1	46	0.0	-79.69	357.82	5.66	-74.03
CC1=CC=C(CC(C[NH3+])C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020251899	0	45	0.0	-88.93	346.68	3.77	-85.16
CC1=CC=C(CC(C[NH3+])C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020251899	1	45	0.0	-88.92	346.74	3.80	-85.12
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251900	0	42	0.0	-63.02	342.32	3.02	-60.00
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251900	1	42	0.0	-63.05	342.37	3.04	-60.01
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251901	0	38	0.0	-77.80	316.96	-2.83	-80.63
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251901	1	38	0.0	-77.82	317.01	-2.81	-80.63
O=C(CC12CCCCC1[NH2+]CCC2)N1CCCC1C1=N[N-]N=N1	REAL300020251902	0	49	0.0	-76.27	340.05	4.51	-71.76
O=C(CC12CCCCC1[NH2+]CCC2)N1CCCC1C1=NN=N[N-]1	REAL300020251902	1	49	0.0	-76.25	340.10	4.53	-71.72
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C[NH3+]	REAL300020251904	0	40	0.0	-86.36	320.21	0.98	-85.38
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C[NH3+]	REAL300020251904	1	40	0.0	-86.35	320.27	1.01	-85.34
O=C(N1CCCC1C1=N[N-]N=N1)C1(C(F)F)CC[NH2+]CC1	REAL300020251905	0	39	0.0	-81.54	289.45	1.70	-79.84
O=C(N1CCCC1C1=NN=N[N-]1)C1(C(F)F)CC[NH2+]CC1	REAL300020251905	1	39	0.0	-81.57	289.51	1.72	-79.85
O=C(C1C[NH2+]CC2=NC=CN2C1)N1CCCC1C1=N[N-]N=N1	REAL300020251906	0	40	0.0	-65.48	309.20	2.02	-63.46
O=C(C1C[NH2+]CC2=NC=CN2C1)N1CCCC1C1=NN=N[N-]1	REAL300020251906	1	40	0.0	-65.53	309.26	2.05	-63.48
O=C(C1=CSC(CC2CCC[NH2+]C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251907	0	45	0.0	-72.81	361.63	3.83	-68.98
O=C(C1=CSC(CC2CCC[NH2+]C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251907	1	45	0.0	-72.79	361.69	3.86	-68.93
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(CC2CC[NH2+]C2)=N1	REAL300020251908	0	45	0.0	-79.10	361.54	2.94	-76.16
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(CC2CC[NH2+]C2)=N1	REAL300020251908	1	45	0.0	-79.10	361.60	2.96	-76.14
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251909	0	42	0.0	-65.48	341.97	1.23	-64.25
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251909	1	42	0.0	-65.47	342.02	1.25	-64.22
[NH3+]CCCCC(CC(F)(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251911	0	44	0.0	-82.18	343.99	2.46	-79.72
[NH3+]CCCCC(CC(F)(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251911	1	44	0.0	-82.19	344.05	2.48	-79.71
O=C(C1C[NH2+]C2(C1)CCOCC2)N1CCCC1C1=N[N-]N=N1	REAL300020251912	0	44	0.0	-73.23	325.27	1.64	-71.59
O=C(C1C[NH2+]C2(C1)CCOCC2)N1CCCC1C1=NN=N[N-]1	REAL300020251912	1	44	0.0	-73.30	325.32	1.66	-71.64
[NH3+]C1CC2(C1)CC1(CC(C(=O)N3CCCC3C3=N[N-]N=N3)C1)C2	REAL300020251914	0	47	0.0	-86.84	362.39	3.91	-82.93
[NH3+]C1CC2(C1)CC1(CC(C(=O)N3CCCC3C3=NN=N[N-]3)C1)C2	REAL300020251914	1	47	0.0	-86.87	362.45	3.94	-82.93
COC1=CC=C(CC([NH3+])C(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC	REAL300020251915	0	47	0.0	-65.62	372.36	1.86	-63.76
COC1=CC=C(CC([NH3+])C(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC	REAL300020251915	1	47	0.0	-65.63	372.41	1.89	-63.74
COC1=CC=C(C([NH3+])CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020251916	0	42	0.0	-55.83	339.59	-0.37	-56.20
COC1=CC=C(C([NH3+])CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020251916	1	42	0.0	-55.81	339.53	-0.39	-56.20
N#CC1=CC=CC(CC([NH3+])C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251917	0	40	0.0	-68.66	334.47	3.05	-65.61
N#CC1=CC=CC(CC([NH3+])C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251917	1	40	0.0	-68.69	334.53	3.08	-65.61
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020251918	0	45	0.0	-66.55	367.52	3.31	-63.24
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020251918	1	45	0.0	-66.58	367.58	3.33	-63.25
O=C(C1=CC(=O)NC2=C1C[NH2+]CC2)N1CCCC1C1=N[N-]N=N1	REAL300020251919	0	40	0.0	-66.21	322.22	0.62	-65.59
O=C(C1=CC(=O)NC2=C1C[NH2+]CC2)N1CCCC1C1=NN=N[N-]1	REAL300020251919	1	40	0.0	-66.22	322.29	0.63	-65.59
O=C(CCC1=NN=N[N-]1)NC1=CC=NN1CC1CC[NH2+]CC1	REAL300020251920	0	42	0.0	-67.00	328.91	2.84	-64.16
O=C(CCC1=N[N-]N=N1)NC1=CC=NN1CC1CC[NH2+]CC1	REAL300020251920	1	42	0.0	-67.04	328.85	2.83	-64.21
[NH3+]CC1(C2CCOCC2)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251921	0	46	0.0	-83.56	335.79	1.42	-82.14
[NH3+]CC1(C2CCOCC2)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251921	1	46	0.0	-83.57	335.85	1.43	-82.14
O=C(CCC1=N[N-]N=N1)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2	REAL300020251922	0	36	0.0	-77.44	306.81	1.44	-76.00
O=C(CCC1=NN=N[N-]1)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2	REAL300020251922	1	36	0.0	-77.44	306.87	1.46	-75.98
O=C(CCC1=N[N-]N=N1)N1CCC[C@@H]1C(=O)N1CC[NH2+]CC1	REAL300020251923	0	43	0.0	-83.07	330.12	2.77	-80.30
O=C(CCC1=NN=N[N-]1)N1CCC[C@@H]1C(=O)N1CC[NH2+]CC1	REAL300020251923	1	43	0.0	-83.08	330.18	2.78	-80.30
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[NH2+]C[C@@H]1CC1=CC=CC=C1	REAL300020251924	0	42	0.0	-66.22	336.71	3.96	-62.26
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[NH2+]C[C@@H]1CC1=CC=CC=C1	REAL300020251924	1	42	0.0	-66.26	336.77	3.97	-62.29
COC(=O)C1=C2C[NH2+]CCN2C(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020251925	1	43	0.0	-74.40	358.83	2.00	-72.40
COC(=O)C1=C2C[NH2+]CCN2C(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020251925	1	43	0.0	-74.41	358.89	2.02	-72.39
CC(C)(C)C1=CC=C(C2C[NH2+]CCN2C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020251926	0	51	0.0	-71.11	380.52	6.05	-65.06
CC(C)(C)C1=CC=C(C2C[NH2+]CCN2C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020251926	1	51	0.0	-71.08	380.58	6.06	-65.02
O=C(CCC1=N[N-]N=N1)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1	REAL300020251927	0	43	0.0	-81.85	334.77	1.91	-79.94
O=C(CCC1=NN=N[N-]1)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1	REAL300020251927	1	43	0.0	-81.86	334.83	1.92	-79.94
O=C(CCC1=N[N-]N=N1)NC1CS(=O)(=O)C12CC[NH2+]CC2	REAL300020251928	0	39	0.0	-73.16	315.65	-1.75	-74.91
O=C(CCC1=NN=N[N-]1)NC1CS(=O)(=O)C12CC[NH2+]CC2	REAL300020251928	1	39	0.0	-73.21	315.71	-1.74	-74.95
[NH3+]C1CCS(=O)(=O)C2(CC(CNC(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020251929	0	45	0.0	-93.81	362.67	-1.76	-95.57
[NH3+]C1CCS(=O)(=O)C2(CC(CNC(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020251929	1	45	0.0	-93.78	362.73	-1.74	-95.52
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=C2OCC[NH2+]CC2=C1	REAL300020251930	0	37	0.0	-63.17	321.37	2.11	-61.06
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=C2OCC[NH2+]CC2=C1	REAL300020251930	1	37	0.0	-63.16	321.43	2.13	-61.03
CCOC(=O)C1CC[NH2+]CCC1NC(=O)CCC1=N[N-]N=N1	REAL300020251931	0	44	0.0	-75.03	343.80	2.47	-72.56
CCOC(=O)C1CC[NH2+]CCC1NC(=O)CCC1=NN=N[N-]1	REAL300020251931	1	44	0.0	-75.07	343.86	2.49	-72.58
[NH3+]C1CN(C(=O)CCC2=N[N-]N=N2)CC12CCS(=O)(=O)CC2	REAL300020251932	0	42	0.0	-85.13	326.83	-1.76	-86.89
[NH3+]C1CN(C(=O)CCC2=NN=N[N-]2)CC12CCS(=O)(=O)CC2	REAL300020251932	1	42	0.0	-85.11	326.89	-1.74	-86.85
O=C(CCC1=N[N-]N=N1)NC1C[NH2+]CC12CCS(=O)(=O)CC2	REAL300020251933	0	42	0.0	-89.75	324.20	-1.14	-90.89
O=C(CCC1=NN=N[N-]1)NC1C[NH2+]CC12CCS(=O)(=O)CC2	REAL300020251933	1	42	0.0	-89.76	324.25	-1.13	-90.89
CN1N=C(C2CCC[NH2+]C2)N=C1NC(=O)CCC1=N[N-]N=N1	REAL300020251934	0	41	0.0	-67.81	333.59	4.05	-63.76
CN1N=C(C2CCC[NH2+]C2)N=C1NC(=O)CCC1=NN=N[N-]1	REAL300020251934	1	41	0.0	-67.85	333.65	4.06	-63.79
[NH3+][C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@H]21	REAL300020251935	0	36	0.0	-94.77	299.48	-2.81	-97.58
[NH3+][C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@H]21	REAL300020251935	1	36	0.0	-94.78	299.54	-2.79	-97.57
CN(C(=O)CCC1=N[N-]N=N1)C1CS(=O)(=O)C12CC[NH2+]CC2	REAL300020251936	0	42	0.0	-66.09	318.09	0.28	-65.81
CN(C(=O)CCC1=NN=N[N-]1)C1CS(=O)(=O)C12CC[NH2+]CC2	REAL300020251936	1	42	0.0	-66.12	318.14	0.30	-65.82
O=C(CCC1=N[N-]N=N1)NCC1C[NH2+]CCC12CCOCC2	REAL300020251937	0	46	0.0	-74.87	331.04	0.48	-74.39
O=C(CCC1=NN=N[N-]1)NCC1C[NH2+]CCC12CCOCC2	REAL300020251937	1	46	0.0	-74.83	331.10	0.50	-74.33
O=C(CCC1=N[N-]N=N1)N=S1(=O)CCCC2(CCC[NH2+]2)C1	REAL300020251938	0	41	0.0	-75.80	318.27	2.10	-73.70
O=C(CCC1=NN=N[N-]1)N=S1(=O)CCCC2(CCC[NH2+]2)C1	REAL300020251938	1	41	0.0	-75.79	318.32	2.11	-73.68
CC1(C)C(C[NH3+])CCS1(=O)=NC(=O)CCC1=N[N-]N=N1	REAL300020251939	0	40	0.0	-105.71	319.44	-1.02	-106.73
CC1(C)C(C[NH3+])CCS1(=O)=NC(=O)CCC1=NN=N[N-]1	REAL300020251939	1	40	0.0	-105.69	319.50	-1.00	-106.69
[NH3+]CCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020251940	0	44	0.0	-81.54	339.34	1.29	-80.25
[NH3+]CCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020251940	1	44	0.0	-81.54	339.29	1.27	-80.27
[NH3+]CCCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020251941	0	47	0.0	-81.35	360.84	2.08	-79.27
[NH3+]CCCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020251941	1	47	0.0	-81.28	360.78	2.06	-79.22
O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251944	0	47	0.0	-69.97	344.68	3.38	-66.59
O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251944	1	47	0.0	-69.96	344.73	3.39	-66.57
O=C(C1CC2CCC1[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251945	0	46	0.0	-67.93	314.31	4.34	-63.59
O=C(C1CC2CCC1[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251945	1	46	0.0	-67.94	314.38	4.35	-63.59
O=C(C1=CN(C2CCC[NH2+]C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251947	0	49	0.0	-79.35	362.06	3.78	-75.57
O=C(C1=CN(C2CCC[NH2+]C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251947	1	49	0.0	-79.33	362.01	3.77	-75.56
[NH3+]C1CCCCN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020251948	0	49	0.0	-71.49	341.00	3.20	-68.29
[NH3+]C1CCCCN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020251948	1	49	0.0	-71.44	341.02	3.20	-68.24
CC([NH3+])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251949	0	45	0.0	-81.29	336.65	4.08	-77.21
CC([NH3+])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251949	1	45	0.0	-81.25	336.65	4.10	-77.15
[NH3+]C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1CCCCC1	REAL300020251950	0	57	0.0	-73.55	400.89	6.34	-67.21
[NH3+]C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1CCCCC1	REAL300020251950	1	57	0.0	-73.58	400.94	6.37	-67.21
O=C(C1CC12CCC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251952	0	46	0.0	-58.85	327.56	4.72	-54.13
O=C(C1CC12CCC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251952	1	46	0.0	-58.82	327.61	4.73	-54.09
N#CCCCCC([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251953	0	45	0.0	-74.86	341.24	3.50	-71.36
N#CCCCCC([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251953	1	45	0.0	-74.82	341.29	3.52	-71.30
O=C(C1=CN=C(C2CC[NH2+]CC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251954	0	48	0.0	-81.23	363.94	1.37	-79.86
O=C(C1=CN=C(C2CC[NH2+]CC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251954	1	48	0.0	-81.26	364.09	1.37	-79.89
O=C(C#CC1CC[NH2+]CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251955	0	44	0.0	-81.75	337.90	4.62	-77.13
O=C(C#CC1CC[NH2+]CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251955	1	44	0.0	-82.33	337.96	4.64	-77.69
O=C(C1CC2C=CC1[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251956	0	44	0.0	-76.14	314.65	3.73	-72.41
O=C(C1CC2C=CC1[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251956	1	44	0.0	-76.14	314.70	3.74	-72.40
O=C(C1C[NH2+]CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020251957	0	46	0.0	-74.22	334.58	5.53	-68.69
O=C(C1C[NH2+]CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020251957	1	46	0.0	-74.19	334.62	5.55	-68.64
O=C(C1=CC2=C(CC[NH2+]C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251958	0	43	0.0	-78.83	331.08	4.86	-73.97
O=C(C1=CC2=C(CC[NH2+]C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251958	1	43	0.0	-78.78	331.13	4.88	-73.90
O=C(C1=CC2=C(C[NH2+]C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251959	0	40	0.0	-81.72	313.52	4.03	-77.69
[NH3+]CC1CCCC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020251960	0	52	0.0	-81.87	376.49	5.74	-76.13
[NH3+]CC1CCCC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020251960	1	52	0.0	-81.82	376.52	5.75	-76.07
O=C(C1=CN(C2CCC[NH2+]CC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251961	0	51	0.0	-78.77	370.67	3.57	-75.20
O=C(C1=CN(C2CCC[NH2+]CC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251961	1	51	0.0	-78.80	370.62	3.56	-75.24
CC(C)C[C@H](C[NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251962	0	50	0.0	-62.34	356.74	3.85	-58.49
CC(C)C[C@H](C[NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251962	1	50	0.0	-62.38	356.79	3.86	-58.52
O=C(C1=CNN=C1C1CC[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251963	0	46	0.0	-66.63	341.78	2.51	-64.12
O=C(C1=CNN=C1C1CC[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251963	1	46	0.0	-66.59	341.80	2.52	-64.07
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251964	0	52	0.0	-56.61	390.50	4.67	-51.94
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251964	1	52	0.0	-56.66	390.56	4.68	-51.98
COC1=CC=CC(CC([NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251965	0	49	0.0	-52.97	367.43	3.75	-49.22
COC1=CC=CC(CC([NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251965	1	49	0.0	-52.95	367.49	3.76	-49.19
[NH3+]CCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020251968	0	41	0.0	-81.97	317.84	0.53	-81.44
[NH3+]CCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020251968	1	41	0.0	-81.98	317.79	0.51	-81.47
O=C(CC1[NH2+]CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020251969	0	46	0.0	-41.40	343.26	5.94	-35.46
O=C(CC1[NH2+]CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020251969	1	46	0.0	-41.40	343.31	5.95	-35.45
O=C(C1=C(Br)C2=C(C[NH2+]C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251970	1	40	0.0	-79.36	335.06	4.41	-74.95
[NH3+]C(CC1=NNC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251971	0	42	0.0	-63.37	323.02	0.28	-63.09
[NH3+]C(CC1=NNC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251971	1	42	0.0	-63.43	323.09	0.29	-63.14
O=C(C1=CC=CC2=C1CC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251972	0	46	0.0	-71.74	334.87	5.34	-66.40
O=C(C1=CC=CC2=C1CC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251972	1	46	0.0	-71.60	334.87	5.35	-66.25
O=C(CCC1CCC[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251973	0	48	0.0	-74.12	348.31	4.62	-69.50
O=C(CCC1CCC[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251973	1	48	0.0	-74.14	348.38	4.61	-69.53
O=C(C1=CC(C2CC[NH2+]CC2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251974	0	48	0.0	-69.91	356.68	4.37	-65.54
O=C(C1=CC(C2CC[NH2+]CC2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251974	1	48	0.0	-69.91	356.73	4.38	-65.53
O=C(C1=NOC2(C1)CCC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251975	0	47	0.0	-66.59	344.80	3.36	-63.23
O=C(C1=NOC2(C1)CCC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251975	1	47	0.0	-66.57	344.85	3.36	-63.21
O=C(CC1=CC=CC2=C1CC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251976	0	49	0.0	-69.82	364.56	6.00	-63.82
O=C(CC1=CC=CC2=C1CC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251976	1	49	0.0	-69.79	364.63	6.01	-63.78
[NH3+]C1CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020251977	0	46	0.0	-88.28	344.66	4.59	-83.69
[NH3+]C1CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020251977	1	46	0.0	-88.30	344.69	4.59	-83.71
O=C(C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251978	0	51	0.0	-73.87	386.89	4.06	-69.81
O=C(C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251978	1	51	0.0	-73.92	386.94	4.08	-69.84
O=C(CC1(O)CCC[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251979	0	46	0.0	-63.29	332.04	1.80	-61.49
O=C(CC1(O)CCC[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251979	1	46	0.0	-63.27	332.10	1.81	-61.46
O=C(C=CC1CCC[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251980	0	46	0.0	-74.36	337.11	4.90	-69.46
O=C(C=CC1CCC[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251980	1	46	0.0	-74.36	337.17	4.91	-69.45
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(C[NH3+])=C1	REAL300020251981	0	42	0.0	-85.09	318.89	2.66	-82.43
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(C[NH3+])=C1	REAL300020251981	1	42	0.0	-85.12	318.94	2.68	-82.44
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251982	0	53	0.0	-70.35	394.60	5.01	-65.34
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251982	1	53	0.0	-52.87	389.65	5.43	-47.44
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251982	1	53	0.0	-70.32	394.67	5.03	-65.29
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251982	1	53	0.0	-52.83	389.70	5.44	-47.39
[NH3+]CC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020251983	0	40	0.0	-69.50	310.81	0.57	-68.93
[NH3+]CC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020251983	1	40	0.0	-69.51	310.86	0.57	-68.94
[NH3+]C1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCN(CC2=CC=CC=C2)CC1	REAL300020251984	0	60	0.0	-28.96	416.65	5.79	-23.17
[NH3+]C1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCN(CC2=CC=CC=C2)CC1	REAL300020251984	1	60	0.0	-28.88	416.69	5.80	-23.08
O=C(C1=CSC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251986	0	48	0.0	-84.63	365.18	4.71	-79.92
O=C(C1=CSC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251986	1	48	0.0	-84.60	365.24	4.72	-79.88
O=C(CCC12CC(C1)C[NH2+]2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251987	0	46	0.0	-74.51	339.41	4.59	-69.92
O=C(CCC12CC(C1)C[NH2+]2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251987	1	46	0.0	-74.54	339.48	4.61	-69.93
O=C(C1=CNC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251988	0	49	0.0	-84.10	360.74	4.34	-79.76
O=C(C1=CNC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251988	1	49	0.0	-84.12	360.79	4.35	-79.77
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251989	0	48	0.0	-85.24	336.00	3.42	-81.82
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251989	1	48	0.0	-85.25	336.07	3.43	-81.82
[NH3+]C(CC1OCCO1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251990	0	44	0.0	-67.75	329.66	-0.08	-67.83
[NH3+]C(CC1OCCO1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251990	1	44	0.0	-67.68	329.73	-0.08	-67.76
CC(C)C([NH3+])C(=O)NCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251991	0	51	0.0	-77.76	376.50	1.84	-75.92
CC(C)C([NH3+])C(=O)NCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251991	1	51	0.0	-77.75	376.55	1.84	-75.91
O=C(C1=CC=NC(N2CC[NH2+]CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251992	0	50	0.0	-79.15	371.32	3.83	-75.32
O=C(C1=CC=NC(N2CC[NH2+]CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251992	1	50	0.0	-79.19	371.28	3.81	-75.38
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2CC[NH2+]CC2)=N1	REAL300020251995	0	51	0.0	-78.62	389.86	4.76	-73.86
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2CC[NH2+]CC2)=N1	REAL300020251995	1	51	0.0	-78.17	389.83	4.75	-73.42
[NH3+]C[C@@H]1[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1(F)F	REAL300020251997	0	39	0.0	-61.23	298.13	2.32	-58.91
[NH3+]C[C@@H]1[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1(F)F	REAL300020251997	1	39	0.0	-61.19	298.13	2.34	-58.85
O=C(N1CCCCC1CC1=N[N-]N=N1)[C@@]12CCC[C@@H]1[NH2+]CC2	REAL300020251998	0	46	0.0	-68.62	316.06	4.05	-64.57
O=C(N1CCCCC1CC1=NN=N[N-]1)[C@@]12CCC[C@@H]1[NH2+]CC2	REAL300020251998	1	46	0.0	-68.65	316.11	4.06	-64.59
[NH3+]C1CCOC2(CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2)C1	REAL300020251999	0	50	0.0	-76.59	364.21	2.42	-74.17
[NH3+]C1CCOC2(CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2)C1	REAL300020251999	1	50	0.0	-76.64	364.28	2.44	-74.20
O=C(C1=CN=C(CC2CC[NH2+]CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252000	0	51	0.0	-71.33	384.63	4.79	-66.54
O=C(C1=CN=C(CC2CC[NH2+]CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252000	1	51	0.0	-71.77	385.06	4.78	-66.99
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252001	0	48	0.0	-68.17	371.78	4.60	-63.57
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252001	1	48	0.0	-68.16	371.84	4.62	-63.54
N#CC1C[NH2+]CC12CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020252002	0	47	0.0	-95.36	347.49	4.52	-90.84
N#CC1C[NH2+]CC12CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020252002	1	47	0.0	-95.33	347.54	4.52	-90.81
CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252003	0	44	0.0	-72.03	341.82	-0.98	-73.01
CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252003	1	44	0.0	-72.00	341.87	-0.98	-72.98
[NH3+]CCCN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020252004	0	45	0.0	-90.93	343.75	2.77	-88.16
[NH3+]CCCN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020252004	1	45	0.0	-90.91	343.70	2.76	-88.15
[NH3+]CCC1=CN2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2N=C1	REAL300020252005	0	47	0.0	-97.12	364.06	3.05	-94.07
[NH3+]CCC1=CN2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2N=C1	REAL300020252005	1	47	0.0	-97.13	364.05	3.03	-94.10
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)N1CCCCC1CC1=N[N-]N=N1	REAL300020252006	0	49	0.0	-106.35	365.05	0.86	-105.49
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)N1CCCCC1CC1=NN=N[N-]1	REAL300020252006	1	49	0.0	-106.31	365.11	0.86	-105.45
[NH3+][C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020252007	0	48	0.0	-48.42	357.05	5.61	-42.81
[NH3+][C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020252007	1	48	0.0	-48.41	357.08	5.63	-42.78
CC([NH3+])C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020252008	1	41	0.0	-85.96	323.68	1.96	-84.00
CC([NH3+])C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020252008	1	41	0.0	-85.92	323.73	1.96	-83.96
O=C(C1=CC=CC2=C1OCC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252010	0	47	0.0	-80.73	345.85	4.85	-75.88
O=C(C1=CC=CC2=C1OCC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252010	1	47	0.0	-80.68	345.84	4.87	-75.81
[NH3+]C1CCCN2N=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020252013	0	46	0.0	-78.93	341.20	2.64	-76.29
[NH3+]C1CCCN2N=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020252013	1	46	0.0	-78.97	341.25	2.66	-76.31
O=C(C1CC(=O)N(C2C[NH2+]C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252014	0	47	0.0	-69.18	347.19	2.04	-67.14
O=C(C1CC(=O)N(C2C[NH2+]C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252014	1	47	0.0	-69.16	347.26	2.04	-67.12
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252015	0	52	0.0	-43.55	385.20	5.17	-38.38
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252015	1	52	0.0	-43.52	385.22	5.19	-38.33
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252016	0	52	0.0	-42.96	385.16	5.16	-37.80
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252016	1	52	0.0	-42.90	385.20	5.19	-37.71
[NH3+]CCCSCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252017	0	45	0.0	-76.08	350.40	3.82	-72.26
[NH3+]CCCSCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252017	1	45	0.0	-76.08	350.45	3.83	-72.25
CSCC[C@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252018	0	45	0.0	-67.24	347.48	3.30	-63.94
CSCC[C@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252018	1	45	0.0	-67.27	347.54	3.30	-63.97
O=C(CCCCC1CC[NH2+]CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252019	0	54	0.0	-72.34	386.69	6.58	-65.76
O=C(CCCCC1CC[NH2+]CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252019	1	54	0.0	-72.26	386.74	6.59	-65.67
[NH3+]CC1=CN2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=C2C=C1	REAL300020252020	0	45	0.0	-94.44	346.97	4.77	-89.67
[NH3+]CC1=CN2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=C2C=C1	REAL300020252020	1	45	0.0	-94.40	346.92	4.74	-89.66
O=C(C1=CC=C2CC[NH2+]CC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252022	0	45	0.0	-85.06	334.50	4.44	-80.62
O=C(C1=CC=C2CC[NH2+]CC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252022	1	45	0.0	-85.04	334.55	4.45	-80.59
[NH3+]CCN1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020252023	0	49	0.0	-78.49	356.00	2.02	-76.47
[NH3+]CCN1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020252023	1	49	0.0	-78.50	356.05	2.03	-76.47
CCCCCCCCC([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252024	0	56	0.0	-61.28	406.38	6.11	-55.17
CCCCCCCCC([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252024	1	56	0.0	-61.24	406.43	6.12	-55.12
CC1[NH2+]CCN2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C12	REAL300020252025	0	47	0.0	-53.03	345.14	4.99	-48.04
CC1[NH2+]CCN2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C12	REAL300020252025	1	47	0.0	-53.01	345.17	5.01	-48.00
[NH3+]C1CCC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2NC1=O	REAL300020252029	0	50	0.0	-80.94	372.55	2.87	-78.07
[NH3+]C1CCC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2NC1=O	REAL300020252029	1	50	0.0	-80.93	372.58	2.87	-78.06
[NH3+]CCCC1=CC=C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252030	0	52	0.0	-89.49	396.02	5.70	-83.79
[NH3+]CCCC1=CC=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252030	1	52	0.0	-89.53	396.07	5.72	-83.81
[NH3+][C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020252032	0	48	0.0	-48.78	356.53	5.59	-43.19
[NH3+][C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020252032	1	48	0.0	-48.74	356.57	5.62	-43.12
[NH3+]C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCOCC1	REAL300020252033	0	49	0.0	-41.20	341.43	2.80	-38.40
[NH3+]C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCOCC1	REAL300020252033	1	49	0.0	-41.15	341.46	2.81	-38.34
[NH3+]C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCCC1	REAL300020252034	0	51	0.0	-45.01	353.16	5.08	-39.93
[NH3+]C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCCC1	REAL300020252034	1	51	0.0	-45.03	353.19	5.11	-39.92
[NH3+][C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1CCCCC1	REAL300020252035	0	54	0.0	-47.12	377.71	5.77	-41.35
[NH3+][C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1CCCCC1	REAL300020252035	1	54	0.0	-47.14	377.75	5.79	-41.35
[NH3+]C1CC2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC12	REAL300020252036	0	46	0.0	-60.06	326.75	3.47	-56.59
[NH3+]C1CC2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC12	REAL300020252036	1	46	0.0	-60.06	326.81	3.48	-56.58
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(C(C)[NH3+])S1	REAL300020252037	0	44	0.0	-82.65	339.56	2.78	-79.87
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(C(C)[NH3+])S1	REAL300020252037	1	44	0.0	-82.65	339.60	2.78	-79.87
[NH3+]C1CCC2(CC2C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252038	0	49	0.0	-60.75	348.84	4.39	-56.36
[NH3+]C1CCC2(CC2C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252038	1	49	0.0	-60.76	348.89	4.40	-56.36
[NH3+]C(CC1=NC=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252039	0	41	0.0	-63.44	327.13	1.23	-62.21
[NH3+]C(CC1=NC=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252039	1	41	0.0	-63.45	327.19	1.26	-62.19
O=C(C1=CSC(N2CC[NH2+]CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252040	0	47	0.0	-86.13	359.26	3.26	-82.87
O=C(C1=CSC(N2CC[NH2+]CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252040	1	47	0.0	-86.17	359.21	3.25	-82.92
COC(=O)CC[C@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252041	0	47	0.0	-71.11	358.20	2.87	-68.24
COC(=O)CC[C@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252041	1	47	0.0	-71.13	358.27	2.88	-68.25
[NH3+]CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020252042	0	39	0.0	-85.45	310.32	2.51	-82.94
[NH3+]CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020252042	1	39	0.0	-85.48	310.37	2.53	-82.95
O=C(C1=CC=C2OCC[NH2+]CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252043	0	47	0.0	-70.82	349.42	4.28	-66.54
O=C(C1=CC=C2OCC[NH2+]CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252043	1	47	0.0	-70.81	349.45	4.29	-66.52
N#CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CC[NH2+]CC1	REAL300020252044	0	46	0.0	-70.94	336.49	4.14	-66.80
N#CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CC[NH2+]CC1	REAL300020252044	1	46	0.0	-70.99	336.55	4.15	-66.84
CC1CN2N=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C[NH2+]1	REAL300020252045	1	46	0.0	-81.51	342.34	3.67	-77.84
CC1CN2N=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C[NH2+]1	REAL300020252045	1	46	0.0	-81.52	342.39	3.69	-77.83
O=C(C1=CN=C(C2CCC[NH2+]2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252046	0	47	0.0	-61.74	354.54	3.56	-58.18
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(CC[NH3+])S1	REAL300020252047	0	44	0.0	-84.19	341.43	2.87	-81.32
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(CC[NH3+])S1	REAL300020252047	1	44	0.0	-84.16	341.47	2.88	-81.28
CC[NH2+]CC1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252048	0	54	0.0	-49.87	373.78	6.40	-43.47
CC[NH2+]CC1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252048	1	54	0.0	-49.85	373.83	6.43	-43.42
O=C(C1CC[NH2+]C(C2CCCO2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252050	0	53	0.0	-69.03	372.45	4.62	-64.41
O=C(C1CC[NH2+]C(C2CCCO2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252050	1	53	0.0	-69.02	372.52	4.62	-64.40
O=C(C1=CC=C2C[NH2+]CCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252052	0	47	0.0	-82.92	349.24	4.23	-78.69
O=C(C1=CC=C2C[NH2+]CCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252052	1	47	0.0	-82.95	349.28	4.25	-78.70
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1CC[NH2+]CC1	REAL300020252053	0	45	0.0	-57.70	325.65	4.40	-53.30
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1CC[NH2+]CC1	REAL300020252053	1	45	0.0	-57.68	325.68	4.40	-53.28
CN1N=C(C[NH3+])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252054	0	42	0.0	-81.60	320.14	1.03	-80.57
CN1N=C(C[NH3+])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252054	1	42	0.0	-81.59	320.27	1.03	-80.56
[NH3+][C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1=CC(F)=C(F)C=C1F	REAL300020252055	0	48	0.0	-45.86	367.59	6.05	-39.81
[NH3+][C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1=CC(F)=C(F)C=C1F	REAL300020252055	1	48	0.0	-45.88	367.63	6.08	-39.80
[NH3+]CC1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020252056	0	41	0.0	-67.40	332.77	1.32	-66.08
[NH3+]CC1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020252056	1	41	0.0	-67.33	332.83	1.35	-65.98
[NH3+]CC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020252057	1	38	0.0	-86.15	305.35	0.80	-85.35
[NH3+]CC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020252057	1	38	0.0	-86.15	305.50	0.85	-85.30
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(C[NH3+])S1	REAL300020252058	1	41	0.0	-80.98	319.92	2.12	-78.86
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(C[NH3+])S1	REAL300020252058	1	41	0.0	-81.02	319.96	2.13	-78.89
O=C(C1=C2C[NH2+]CCN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252059	1	43	0.0	-72.88	320.78	2.35	-70.53
O=C(C1=C2C[NH2+]CCN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252059	1	43	0.0	-72.89	320.82	2.36	-70.53
[NH3+]CCC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)COCCO1	REAL300020252060	0	50	0.0	-75.87	349.26	2.09	-73.78
[NH3+]CCC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)COCCO1	REAL300020252060	1	50	0.0	-75.90	349.29	2.09	-73.81
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252061	0	51	0.0	-48.73	379.02	6.38	-42.35
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252061	1	51	0.0	-48.68	379.05	6.41	-42.27
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252062	0	51	0.0	-49.15	378.85	6.38	-42.77
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252062	1	51	0.0	-49.16	378.88	6.40	-42.76
COC(=O)C[C@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252063	0	44	0.0	-69.34	335.89	2.11	-67.23
COC(=O)C[C@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252063	1	44	0.0	-69.41	335.96	2.12	-67.29
[NH3+][C@@H]1C[C@@H]2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C[C@H]12	REAL300020252064	0	46	0.0	-66.60	325.91	3.26	-63.34
[NH3+][C@@H]1C[C@@H]2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C[C@H]12	REAL300020252064	1	46	0.0	-66.58	325.97	3.27	-63.31
[NH3+]CC(CC1CCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252065	0	51	0.0	-66.11	356.56	4.48	-61.63
[NH3+]CC(CC1CCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252065	1	51	0.0	-66.13	356.62	4.48	-61.65
[NH3+]CCCCSCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252066	0	45	0.0	-79.00	350.04	3.78	-75.22
[NH3+]CCCCSCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252066	1	45	0.0	-79.01	350.10	3.78	-75.23
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2)C1	REAL300020252067	0	52	0.0	-87.79	386.28	1.24	-86.55
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2)C1	REAL300020252067	1	52	0.0	-87.80	386.34	1.26	-86.54
[NH3+]C1CCC2(CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2)CC1	REAL300020252068	0	52	0.0	-86.63	368.20	4.86	-81.77
[NH3+]C1CCC2(CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2)CC1	REAL300020252068	1	52	0.0	-86.62	368.25	4.87	-81.75
[NH3+]C(CCSC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252069	0	42	0.0	-66.14	341.85	3.26	-62.88
[NH3+]C(CCSC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252069	1	42	0.0	-66.13	341.91	3.28	-62.85
CC1(C)C[NH2+]C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252070	0	48	0.0	-61.00	349.04	4.67	-56.33
CC1(C)C[NH2+]C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252070	1	48	0.0	-61.01	349.10	4.69	-56.32
[NH3+]CC1(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)CCC1	REAL300020252071	0	51	0.0	-68.56	378.32	4.06	-64.50
[NH3+]CC1(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)CCC1	REAL300020252071	1	51	0.0	-68.56	378.26	4.06	-64.50
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252072	0	50	0.0	-79.58	380.97	2.79	-76.79
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252072	1	50	0.0	-79.60	381.02	2.82	-76.78
CN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C1CCCC[NH2+]1	REAL300020252073	0	53	0.0	-60.72	383.45	6.33	-54.39
CN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C1CCCC[NH2+]1	REAL300020252073	1	53	0.0	-60.96	383.57	6.25	-54.71
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(N2CC[NH2+]CC2)=N1	REAL300020252074	0	50	0.0	-81.40	382.21	3.26	-78.14
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(N2CC[NH2+]CC2)=N1	REAL300020252074	1	50	0.0	-81.37	382.25	3.26	-78.11
O=C([C@@H]1CCC[NH2+]1)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252075	0	56	0.0	-67.62	395.39	4.79	-62.83
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252076	0	48	0.0	-100.95	356.00	-0.59	-101.54
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252076	1	48	0.0	-100.98	356.06	-0.58	-101.56
O=C(CC[C@@H]1CCCC[NH2+]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252077	0	48	0.0	-70.95	343.98	5.32	-65.63
O=C(CC[C@@H]1CCCC[NH2+]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252077	1	48	0.0	-70.97	344.03	5.33	-65.64
[NH3+]CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252078	0	45	0.0	-84.09	340.48	4.14	-79.95
[NH3+]CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252078	1	45	0.0	-84.09	340.48	4.15	-79.94
COC(=O)CC[C@@H]([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252079	0	44	0.0	-80.91	337.35	1.81	-79.10
COC(=O)CC[C@@H]([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252079	1	44	0.0	-80.92	337.41	1.81	-79.11
O=C(C1=CC2=C(C[NH2+]CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252080	0	43	0.0	-83.96	331.09	4.83	-79.13
O=C(C1=CC2=C(C[NH2+]CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252080	1	43	0.0	-83.95	331.13	4.84	-79.11
O=C(C1=CC=CC2=C1C[NH2+]CCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252081	0	47	0.0	-49.10	345.38	4.65	-44.45
O=C(C1=CC=CC2=C1C[NH2+]CCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252081	1	47	0.0	-49.10	345.42	4.66	-44.44
[NH3+]C1(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CCCC1	REAL300020252082	0	48	0.0	-81.62	348.16	3.73	-77.89
[NH3+]C1(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CCCC1	REAL300020252082	1	48	0.0	-81.57	348.22	3.76	-77.81
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252083	0	51	0.0	-78.04	395.30	4.58	-73.46
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252083	1	51	0.0	-78.02	395.36	4.60	-73.42
COC(=O)C[C@@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252084	0	44	0.0	-59.55	331.30	2.51	-57.04
COC(=O)C[C@@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252084	1	44	0.0	-59.58	331.35	2.53	-57.05
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252085	0	45	0.0	-62.82	349.69	4.17	-58.65
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252085	1	45	0.0	-62.79	349.75	4.17	-58.62
[NH3+]C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCCCC1	REAL300020252086	0	54	0.0	-65.47	370.50	4.96	-60.51
[NH3+]C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCCCC1	REAL300020252086	1	54	0.0	-65.46	370.57	4.99	-60.47
[NH3+]C1CCN2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C1	REAL300020252087	0	46	0.0	-80.01	341.51	2.00	-78.01
[NH3+]C1CCN2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C1	REAL300020252087	1	46	0.0	-79.99	341.55	2.00	-77.99
CC1(C)CC[NH2+]CC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252088	0	48	0.0	-59.65	321.38	3.99	-55.66
CC1(C)CC[NH2+]CC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252088	1	48	0.0	-59.60	321.42	3.99	-55.61
[NH3+]CC1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252089	0	41	0.0	-77.13	315.78	1.56	-75.57
[NH3+]CC1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252089	1	41	0.0	-77.12	315.75	1.55	-75.57
O=C(C1=COC([C@@H]2CCC[NH2+]2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252090	0	45	0.0	-69.09	340.78	2.25	-66.84
[NH3+]C(CC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252091	0	38	0.0	-54.91	293.34	1.91	-53.00
[NH3+]C(CC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252091	1	38	0.0	-54.89	293.40	1.93	-52.96
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C[NH3+])=N1	REAL300020252093	1	41	0.0	-85.35	322.99	1.44	-83.91
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C[NH3+])=N1	REAL300020252093	1	41	0.0	-85.30	323.29	1.46	-83.84
[NH3+]CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCOC1	REAL300020252094	0	46	0.0	-80.85	326.76	1.18	-79.67
[NH3+]CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCOC1	REAL300020252094	1	46	0.0	-80.90	326.82	1.20	-79.70
O=C(CC[C@H]1CCCC[NH2+]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252095	0	48	0.0	-76.23	348.50	4.90	-71.33
O=C(CC[C@H]1CCCC[NH2+]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252095	1	48	0.0	-76.21	348.56	4.90	-71.31
O=C(C1=NN2CC3(CC[NH2+]CC3)OCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252096	0	54	0.0	-83.53	387.40	3.67	-79.86
O=C(C1=NN2CC3(CC[NH2+]CC3)OCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252096	1	54	0.0	-83.53	387.45	3.70	-79.83
O=C(C(F)C1CCC[NH2+]CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252097	0	48	0.0	-65.80	339.27	4.84	-60.96
O=C(C(F)C1CCC[NH2+]CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252097	1	48	0.0	-65.78	339.31	4.85	-60.93
[NH3+]CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCC1	REAL300020252098	0	48	0.0	-65.67	346.14	3.87	-61.80
[NH3+]CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCC1	REAL300020252098	1	48	0.0	-65.70	346.20	3.87	-61.83
O=C([C@@H]1C[NH2+]C[C@H]1C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020252099	0	42	0.0	-61.10	312.67	3.38	-57.72
O=C([C@@H]1C[NH2+]C[C@H]1C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020252099	1	42	0.0	-61.07	312.72	3.41	-57.66
O=C(C1=C2C[NH2+]CCN2C(Br)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252100	1	43	0.0	-67.08	340.26	4.52	-62.56
O=C(C1=C2C[NH2+]CCN2C(Br)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252100	1	43	0.0	-67.15	340.21	4.51	-62.64
O=C(C1=C2C[NH2+]CCN2C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252101	0	43	0.0	-67.88	318.51	4.85	-63.03
O=C(C1=C2C[NH2+]CCN2C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252101	1	43	0.0	-67.91	318.45	4.84	-63.07
[NH3+][C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1CCCCC1	REAL300020252102	0	54	0.0	-59.25	378.58	5.69	-53.56
[NH3+][C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1CCCCC1	REAL300020252102	1	54	0.0	-59.19	378.63	5.70	-53.49
O=C(C1=CC=C(C2CCC[NH2+]2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252103	0	46	0.0	-79.67	352.77	5.65	-74.02
O=C(C1=CC=C(C2CCC[NH2+]2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252103	1	46	0.0	-79.67	352.82	5.66	-74.01
[NH3+]C(CC1CCCCO1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252104	0	49	0.0	-64.99	354.27	2.67	-62.32
[NH3+]C(CC1CCCCO1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252104	1	49	0.0	-65.00	354.33	2.70	-62.30
[NH3+][C@H](CC1=CC=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252105	0	44	0.0	-48.58	330.22	3.37	-45.21
[NH3+][C@H](CC1=CC=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252105	1	44	0.0	-48.58	330.27	3.38	-45.20
CC1=CC=CN=C1CC([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252106	0	47	0.0	-62.12	348.85	2.66	-59.46
CC1=CC=CN=C1CC([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252106	1	47	0.0	-62.12	348.92	2.69	-59.43
[NH3+]C(CCC1=CC=NC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252107	0	47	0.0	-81.09	358.16	3.03	-78.06
[NH3+]C(CCC1=CC=NC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252107	1	47	0.0	-81.07	358.22	3.06	-78.01
O=C(C1C[NH2+]CC12CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252108	0	46	0.0	-68.15	317.37	4.15	-64.00
O=C(C1C[NH2+]CC12CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252108	1	46	0.0	-68.14	317.39	4.15	-63.99
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020252109	0	47	0.0	-69.29	351.60	0.66	-68.63
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020252109	1	47	0.0	-69.28	351.56	0.64	-68.64
O=C(C1=CSC(C2CCC[NH2+]C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252110	0	48	0.0	-83.73	365.33	4.70	-79.03
O=C(C1=CSC(C2CCC[NH2+]C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252110	1	48	0.0	-83.72	365.39	4.71	-79.01
[NH3+]C1(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CCOCC1	REAL300020252111	0	49	0.0	-85.39	348.20	1.77	-83.62
[NH3+]C1(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CCOCC1	REAL300020252111	1	49	0.0	-85.41	348.26	1.78	-83.63
O=C(C1=CN(CCC2CCCC[NH2+]2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252112	0	54	0.0	-74.93	399.10	4.96	-69.97
O=C(C1=CN(CCC2CCCC[NH2+]2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252112	1	54	0.0	-74.92	399.05	4.94	-69.98
O=C([C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252113	0	52	0.0	-81.96	375.14	6.75	-75.21
O=C([C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252113	1	52	0.0	-81.97	375.20	6.76	-75.21
[NH3+][C@H]1CC[C@H](OCC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252114	0	49	0.0	-85.83	363.35	3.18	-82.65
[NH3+][C@H]1CC[C@H](OCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252114	1	49	0.0	-85.83	363.41	3.19	-82.64
[NH3+][C@@H](CC1=CC=NC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252115	0	44	0.0	-59.22	331.72	2.66	-56.56
[NH3+][C@@H](CC1=CC=NC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252115	1	44	0.0	-59.18	331.77	2.68	-56.50
[NH3+]C(CC1CC=CCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252116	0	49	0.0	-57.28	351.20	4.55	-52.73
[NH3+]C(CC1CC=CCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252116	1	49	0.0	-57.33	351.25	4.56	-52.77
[NH3+]C1(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CCOC1	REAL300020252117	0	46	0.0	-82.55	339.29	1.14	-81.41
[NH3+]C1(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CCOC1	REAL300020252117	1	46	0.0	-82.55	339.36	1.15	-81.40
C[C@@]1(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CCC[NH2+]1	REAL300020252118	0	48	0.0	-67.79	347.42	4.41	-63.38
C[C@@]1(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CCC[NH2+]1	REAL300020252118	1	48	0.0	-67.80	347.48	4.44	-63.36
C[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252119	0	48	0.0	-43.62	349.46	6.27	-37.35
C[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252119	1	48	0.0	-43.58	349.50	6.27	-37.31
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252120	0	52	0.0	-81.33	380.50	5.34	-75.99
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252120	1	52	0.0	-81.38	380.56	5.35	-76.03
CC[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252121	0	51	0.0	-50.40	371.17	6.75	-43.65
CC[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252121	1	51	0.0	-50.38	371.23	6.75	-43.63
[NH3+][C@@H](CC1CCCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252122	0	51	0.0	-54.14	358.46	4.64	-49.50
[NH3+][C@@H](CC1CCCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252122	1	51	0.0	-54.17	358.51	4.64	-49.53
[NH3+]C(CCC1=CC=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252123	0	47	0.0	-75.14	357.46	3.02	-72.12
[NH3+]C(CCC1=CC=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252123	1	47	0.0	-75.07	357.53	3.04	-72.03
[NH3+]C(CN1C=NC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252124	0	41	0.0	-66.66	315.61	2.99	-63.67
[NH3+]C(CN1C=NC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252124	1	41	0.0	-66.59	315.55	2.98	-63.61
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252125	0	48	0.0	-76.19	363.09	4.94	-71.25
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252125	1	48	0.0	-76.21	363.16	4.96	-71.25
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252126	0	48	0.0	-58.85	359.67	5.26	-53.59
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252126	1	48	0.0	-58.87	359.72	5.27	-53.60
O=C(C1C[NH2+]CC2=CNN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020252127	0	43	0.0	-64.39	312.97	2.32	-62.07
O=C(C1C[NH2+]CC2=CNN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020252127	1	43	0.0	-64.40	313.02	2.34	-62.06
[NH3+]C1CC2CC1CC2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252128	0	46	0.0	-92.27	324.08	3.30	-88.97
[NH3+]C1CC2CC1CC2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252128	1	46	0.0	-92.21	324.14	3.32	-88.89
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC(C2CC[NH2+]CC2)=N1	REAL300020252129	0	52	0.0	-89.88	379.05	4.65	-85.23
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC(C2CC[NH2+]CC2)=N1	REAL300020252129	1	52	0.0	-89.87	379.13	4.66	-85.21
O=C(C1=NOC(CC2CCCC[NH2+]2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252130	0	51	0.0	-61.66	376.74	5.98	-55.68
O=C(C1=NOC(CC2CCCC[NH2+]2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252130	1	51	0.0	-61.68	376.79	6.00	-55.68
[NH3+]C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1CCCC1	REAL300020252131	0	51	0.0	-40.66	359.09	5.29	-35.37
[NH3+]C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1CCCC1	REAL300020252131	1	51	0.0	-40.61	359.12	5.30	-35.31
[NH3+]C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020252132	0	45	0.0	-40.34	339.71	5.05	-35.29
[NH3+]C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300020252132	1	45	0.0	-40.30	339.75	5.05	-35.25
O=C([C@@H]1C[NH2+]C[C@H]1C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252133	0	46	0.0	-66.19	330.30	4.61	-61.58
O=C([C@@H]1C[NH2+]C[C@H]1C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252133	1	46	0.0	-66.18	330.35	4.61	-61.57
O=C([C@@H]1CC[C@@H](C2CCC2)[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252134	0	52	0.0	-55.49	367.38	5.97	-49.52
O=C([C@@H]1CC[C@@H](C2CCC2)[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252134	1	52	0.0	-55.51	367.44	6.00	-49.51
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020252135	0	49	0.0	-86.88	370.61	0.38	-86.50
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020252135	1	49	0.0	-86.85	370.56	0.38	-86.47
COC1C[NH2+]CCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252137	0	46	0.0	-71.18	331.58	2.71	-68.47
COC1C[NH2+]CCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252137	1	46	0.0	-71.16	331.62	2.72	-68.44
O=C(C1=C2C[NH2+]CCN2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252138	0	44	0.0	-69.41	321.84	4.32	-65.09
O=C(C1=C2C[NH2+]CCN2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252138	1	44	0.0	-69.39	321.89	4.32	-65.07
O=C(CC1CC2(CCC2)C[NH2+]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252139	0	49	0.0	-59.77	356.07	5.39	-54.38
O=C(CC1CC2(CCC2)C[NH2+]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252139	1	49	0.0	-59.81	356.13	5.41	-54.40
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252140	0	45	0.0	-54.49	344.34	4.52	-49.97
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252140	1	45	0.0	-54.43	344.39	4.53	-49.90
[NH3+][C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCCC1	REAL300020252141	0	51	0.0	-56.23	353.66	5.00	-51.23
[NH3+][C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCCC1	REAL300020252141	1	51	0.0	-56.24	353.72	5.01	-51.23
[NH3+]C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020252142	0	49	0.0	-78.97	351.58	5.42	-73.55
[NH3+]C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020252142	1	49	0.0	-78.94	351.63	5.42	-73.52
[NH3+][C@H]1CC[C@@H](CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252143	0	48	0.0	-83.99	335.11	3.78	-80.21
[NH3+][C@H]1CC[C@@H](CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252143	1	48	0.0	-83.99	335.15	3.79	-80.20
O=C(C[C@@H]1CC2(CC2)C[NH2+]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252144	0	46	0.0	-61.22	341.02	4.91	-56.31
O=C(C[C@@H]1CC2(CC2)C[NH2+]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252144	1	46	0.0	-61.24	341.08	4.92	-56.32
O=C(C1CCC(C2CCC2)[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252145	0	52	0.0	-55.29	367.44	5.98	-49.31
O=C(C1CCC(C2CCC2)[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252145	1	52	0.0	-55.33	367.50	5.99	-49.34
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1CCC[NH2+]C1	REAL300020252146	0	45	0.0	-63.48	326.04	4.32	-59.16
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1CCC[NH2+]C1	REAL300020252146	1	45	0.0	-63.49	326.08	4.33	-59.16
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252148	0	49	0.0	-84.27	364.77	4.04	-80.23
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252148	1	49	0.0	-84.27	364.74	4.07	-80.20
[NH3+]C(CC1CCOC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252149	0	46	0.0	-61.78	330.45	1.40	-60.38
[NH3+]C(CC1CCOC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252149	1	46	0.0	-61.82	330.50	1.42	-60.40
COC(=O)[C@@]1([NH3+])C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252150	1	45	0.0	-72.99	339.41	2.45	-70.54
COC(=O)[C@@]1([NH3+])C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252150	1	45	0.0	-72.99	339.46	2.46	-70.53
O=C(C1=CN(CC2C[NH2+]CCO2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252151	0	49	0.0	-80.19	370.06	1.94	-78.25
O=C(C1=CN(CC2C[NH2+]CCO2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252151	1	49	0.0	-80.20	370.00	1.94	-78.26
[NH3+]C1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCSC1	REAL300020252152	0	43	0.0	-41.97	315.37	3.46	-38.51
[NH3+]C1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCSC1	REAL300020252152	1	43	0.0	-41.96	315.40	3.47	-38.49
[NH3+]CC1=C(Cl)SC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252153	0	39	0.0	-68.59	324.44	3.20	-65.39
[NH3+]CC1=C(Cl)SC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252153	1	39	0.0	-68.65	324.49	3.22	-65.43
O=C(C1CCC2(CC[NH2+]C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252154	0	52	0.0	-73.13	358.42	5.38	-67.75
O=C(C1CCC2(CC[NH2+]C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252154	1	52	0.0	-73.14	358.45	5.39	-67.75
C=C(F)C1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C[NH2+]C1	REAL300020252155	0	43	0.0	-80.29	324.78	3.35	-76.94
C=C(F)C1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C[NH2+]C1	REAL300020252155	1	43	0.0	-80.27	324.84	3.36	-76.91
O=C(C1=CC=C2C[NH2+]CCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252156	0	46	0.0	-81.05	340.96	5.47	-75.58
O=C(C1=CC=C2C[NH2+]CCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252156	1	46	0.0	-81.04	340.99	5.48	-75.56
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252157	0	52	0.0	-67.10	398.13	4.54	-62.56
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252157	1	52	0.0	-67.14	398.20	4.56	-62.58
CC1(C)[NH2+]CCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252158	0	48	0.0	-61.75	339.15	4.64	-57.11
CC1(C)[NH2+]CCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252158	1	48	0.0	-61.74	339.20	4.66	-57.08
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252159	0	52	0.0	-67.34	398.95	4.41	-62.93
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252159	1	52	0.0	-67.40	399.02	4.42	-62.98
O=C(C1=NOC(CC2CC[NH2+]CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252160	0	51	0.0	-77.54	378.13	5.70	-71.84
O=C(C1=NOC(CC2CC[NH2+]CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252160	1	51	0.0	-77.52	378.18	5.73	-71.79
O=C(C[NH2+]CCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020252161	0	41	0.0	-56.47	324.07	4.06	-52.41
O=C(C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020252162	0	49	0.0	-66.69	371.22	6.27	-60.42
O=C(C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020252162	1	49	0.0	-66.67	371.27	6.28	-60.39
O=C(C1=NN(C2CC[NH2+]CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252163	0	49	0.0	-90.93	360.83	4.65	-86.28
O=C(C1=NN(C2CC[NH2+]CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252163	1	49	0.0	-90.90	360.78	4.65	-86.25
COC(=O)CC[C@@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252164	0	47	0.0	-70.99	357.38	3.01	-67.98
COC(=O)CC[C@@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252164	1	47	0.0	-70.97	357.45	3.02	-67.95
[NH3+][C@H](COCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252165	0	49	0.0	-65.98	377.96	3.51	-62.47
[NH3+]C[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252166	0	48	0.0	-86.86	337.29	3.62	-83.24
[NH3+]C[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252166	1	48	0.0	-86.83	337.34	3.63	-83.20
[NH3+][C@@H](COCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252167	0	49	0.0	-52.08	374.44	3.82	-48.26
O=C(C1=CC2=C(CCC[NH2+]C2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252168	0	46	0.0	-71.60	338.74	4.64	-66.96
O=C(C1=CC2=C(CCC[NH2+]C2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252168	1	46	0.0	-71.58	338.80	4.65	-66.93
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252169	0	49	0.0	-57.15	376.68	4.06	-53.09
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252169	1	49	0.0	-57.13	376.73	4.07	-53.06
[NH3+]C(CC1=CC=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252170	0	42	0.0	-64.62	331.58	3.12	-61.50
[NH3+]C(CC1=CC=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252170	1	42	0.0	-64.60	331.64	3.13	-61.47
[NH3+]CCCCCCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252171	0	56	0.0	-77.78	413.01	6.29	-71.49
[NH3+]CCCCCCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252171	1	56	0.0	-77.75	413.06	6.30	-71.45
O=C(C1=NOC2(CC[NH2+]C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252172	0	44	0.0	-70.03	326.82	2.56	-67.47
O=C(C1=NOC2(CC[NH2+]C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252172	1	44	0.0	-70.07	326.88	2.58	-67.49
[NH3+]CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C=C1	REAL300020252175	0	52	0.0	-86.96	393.05	6.76	-80.20
[NH3+]CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C=C1	REAL300020252175	1	52	0.0	-86.92	393.05	6.78	-80.14
O=C(CC1CC2(C[NH2+]1)CCOCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252176	0	53	0.0	-64.48	377.32	3.85	-60.63
O=C(CC1CC2(C[NH2+]1)CCOCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252176	1	53	0.0	-64.52	377.38	3.85	-60.67
O=C(CC1CC[NH2+]C2(CC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252177	0	49	0.0	-66.31	356.90	5.33	-60.98
O=C(CC1CC[NH2+]C2(CC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252177	1	49	0.0	-66.34	356.96	5.34	-61.00
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=C1	REAL300020252179	0	52	0.0	-86.70	393.06	6.75	-79.95
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=C1	REAL300020252179	1	52	0.0	-86.71	393.05	6.76	-79.95
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252180	0	49	0.0	-69.88	371.35	5.83	-64.05
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252180	1	49	0.0	-69.89	371.40	5.84	-64.05
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252181	0	49	0.0	-84.92	370.98	5.78	-79.14
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252181	1	49	0.0	-84.90	371.03	5.79	-79.11
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252182	0	52	0.0	-81.18	391.81	6.84	-74.34
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252182	1	52	0.0	-81.18	391.84	6.86	-74.32
O=C(C1CC2(C1)CCC[NH2+]2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252183	0	46	0.0	-27.46	318.32	5.96	-21.50
O=C(C1CC2(C1)CCC[NH2+]2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252183	1	46	0.0	-27.42	318.33	5.98	-21.44
[NH3+][C@@H](CCSC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252184	0	42	0.0	-60.03	342.65	3.29	-56.74
[NH3+][C@@H](CCSC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252184	1	42	0.0	-60.01	342.70	3.30	-56.71
[NH3+]CC1=CC=CC=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252185	0	48	0.0	-73.27	355.89	5.13	-68.14
[NH3+]CC1=CC=CC=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252185	1	48	0.0	-73.25	355.95	5.13	-68.12
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=C1	REAL300020252187	0	52	0.0	-86.33	395.11	6.83	-79.50
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=C1	REAL300020252187	1	52	0.0	-86.32	395.14	6.84	-79.48
[NH3+]C(CC1=CC=CC(Br)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252188	0	45	0.0	-53.61	359.22	5.08	-48.53
[NH3+]C(CC1=CC=CC(Br)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252188	1	45	0.0	-53.65	359.28	5.08	-48.57
[NH3+]CC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252189	0	45	0.0	-72.65	343.64	4.49	-68.16
[NH3+]CC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252189	1	45	0.0	-72.62	343.70	4.50	-68.12
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252190	0	49	0.0	-54.84	359.90	6.77	-48.07
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252190	1	49	0.0	-54.89	359.95	6.79	-48.10
CN1C=C(CC([NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020252191	0	45	0.0	-59.75	340.12	2.17	-57.58
CN1C=C(CC([NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020252191	1	45	0.0	-59.74	340.06	2.17	-57.57
CC1(C)C[NH2+]CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020252192	0	49	0.0	-72.88	350.80	4.05	-68.83
CC1(C)C[NH2+]CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020252192	1	49	0.0	-72.87	350.86	4.05	-68.82
CC1(C)[NH2+]CCC1C(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252193	0	48	0.0	-64.31	340.07	4.60	-59.71
CC1(C)[NH2+]CCC1C(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252193	1	48	0.0	-64.28	340.12	4.61	-59.67
O=C(N1CCCCC1CC1=N[N-]N=N1)C1(F)C[NH2+]CC12CCC2	REAL300020252194	0	46	0.0	-61.37	321.54	4.40	-56.97
O=C(N1CCCCC1CC1=NN=N[N-]1)C1(F)C[NH2+]CC12CCC2	REAL300020252194	1	46	0.0	-61.39	321.58	4.42	-56.97
CC1(C)CC(C([NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252195	0	48	0.0	-53.28	345.10	3.56	-49.72
CC1(C)CC(C([NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252195	1	48	0.0	-53.13	345.11	3.55	-49.58
[NH3+]C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CC2(CCC2)C1	REAL300020252196	0	49	0.0	-54.17	347.37	4.30	-49.87
[NH3+]C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CC2(CCC2)C1	REAL300020252196	1	49	0.0	-54.12	347.42	4.32	-49.80
[NH3+]CC1CC2CC1CC2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252197	0	49	0.0	-61.11	330.99	3.76	-57.35
[NH3+]CC1CC2CC1CC2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252197	1	49	0.0	-61.16	331.04	3.77	-57.39
[NH3+]CC1=CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020252198	0	48	0.0	-89.25	369.30	5.83	-83.42
[NH3+]CC1=CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020252198	1	48	0.0	-89.28	369.34	5.85	-83.43
CC(C)OCCC([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252200	0	48	0.0	-63.89	353.19	2.22	-61.67
CC(C)OCCC([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252200	1	48	0.0	-63.91	353.24	2.24	-61.67
[NH3+]C(CC1CCOCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252201	0	49	0.0	-60.92	342.19	1.64	-59.28
[NH3+]C(CC1CCOCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252201	1	49	0.0	-60.87	342.30	1.66	-59.21
[NH3+]C1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CS(=O)(=O)C1	REAL300020252202	1	42	0.0	-41.12	314.35	-1.03	-42.15
[NH3+]C1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CS(=O)(=O)C1	REAL300020252202	1	42	0.0	-41.10	314.37	-1.02	-42.12
O=C(CC1COC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252203	0	53	0.0	-74.93	381.06	4.32	-70.61
O=C(CC1COC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252203	1	53	0.0	-74.86	381.12	4.33	-70.53
O=C(CC1C[NH2+]C2CCCCC12)N1CCCCC1CC1=N[N-]N=N1	REAL300020252204	0	52	0.0	-60.78	367.55	5.84	-54.94
O=C(CC1C[NH2+]C2CCCCC12)N1CCCCC1CC1=NN=N[N-]1	REAL300020252204	1	52	0.0	-60.84	367.60	5.84	-55.00
O=C(C1=CN(C[C@@H]2CCC[NH2+]2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252205	0	48	0.0	-66.72	359.95	3.70	-63.02
O=C(C1=CN(C[C@@H]2CCC[NH2+]2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252205	1	48	0.0	-66.72	359.90	3.69	-63.03
COC1=CC=C(C[NH3+])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252206	0	46	0.0	-89.57	347.14	3.29	-86.28
COC1=CC=C(C[NH3+])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252206	1	46	0.0	-89.53	347.11	3.31	-86.22
[NH3+]C1CCCC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020252208	0	49	0.0	-82.18	358.02	5.19	-76.99
[NH3+]C1CCCC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020252208	1	49	0.0	-82.23	358.06	5.18	-77.05
CO[C@@]1(C[NH3+])C[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252209	0	46	0.0	-86.79	335.48	1.58	-85.21
CO[C@@]1(C[NH3+])C[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252209	1	46	0.0	-86.75	335.53	1.59	-85.16
O=C(C1C[NH2+]CC12CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252210	0	49	0.0	-69.04	338.67	5.06	-63.98
O=C(C1C[NH2+]CC12CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252210	1	49	0.0	-69.03	338.72	5.06	-63.97
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=C1CC[NH2+]C2	REAL300020252212	0	46	0.0	-64.87	339.91	3.80	-61.07
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=C1CC[NH2+]C2	REAL300020252212	1	46	0.0	-64.88	339.96	3.81	-61.07
[NH3+]CC1=CC=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252213	0	46	0.0	-76.19	352.83	4.09	-72.10
[NH3+]CC1=CC=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252213	1	46	0.0	-76.16	352.88	4.10	-72.06
O=C(C(F)C1CC[NH2+]CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252214	0	45	0.0	-73.71	325.60	4.25	-69.46
O=C(C(F)C1CC[NH2+]CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252214	1	45	0.0	-73.68	325.66	4.26	-69.42
[NH3+]CC1=CC=CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020252215	0	48	0.0	-77.49	362.18	5.57	-71.92
[NH3+]CC1=CC=CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020252215	1	48	0.0	-77.42	362.21	5.58	-71.84
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252216	0	44	0.0	-61.63	348.59	3.02	-58.61
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252216	1	44	0.0	-61.62	348.54	3.01	-58.61
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=C1	REAL300020252217	0	52	0.0	-91.72	397.28	6.99	-84.73
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=C1	REAL300020252217	1	52	0.0	-91.72	397.32	7.01	-84.71
[NH3+]C1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252218	0	48	0.0	-75.76	331.63	3.45	-72.31
[NH3+]C1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252218	1	48	0.0	-75.75	331.68	3.47	-72.28
[NH3+]C1CCCN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020252219	0	46	0.0	-76.42	346.31	1.60	-74.82
[NH3+]C1CCCN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020252219	1	46	0.0	-76.42	346.37	1.62	-74.80
O=C(C1=CC2=C(CCC[NH2+]C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252220	0	46	0.0	-71.74	348.27	5.48	-66.26
O=C(C1=CC2=C(CCC[NH2+]C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252220	1	46	0.0	-71.78	348.32	5.49	-66.29
[NH3+]C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCC1(F)F	REAL300020252221	0	48	0.0	-80.15	337.70	3.16	-76.99
[NH3+]C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCC1(F)F	REAL300020252221	1	48	0.0	-80.19	337.77	3.17	-77.02
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252222	0	54	0.0	-82.48	367.06	5.16	-77.32
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252222	1	54	0.0	-82.50	367.12	5.17	-77.33
[NH3+]CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020252224	0	45	0.0	-57.08	343.28	4.98	-52.10
[NH3+]CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020252224	1	45	0.0	-57.04	343.33	4.99	-52.05
[NH3+]C1CCCC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020252225	0	52	0.0	-82.96	376.76	5.61	-77.35
[NH3+]C1CCCC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020252225	1	52	0.0	-82.98	376.79	5.61	-77.37
[NH3+]C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020252227	0	45	0.0	-71.70	352.49	4.46	-67.24
[NH3+]C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020252227	1	45	0.0	-71.70	352.55	4.48	-67.22
[NH3+]CC1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252228	0	41	0.0	-77.89	314.22	2.45	-75.44
[NH3+]CC1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252228	1	41	0.0	-77.87	314.27	2.46	-75.41
[NH3+][C@@H](CC1=CC=C(Br)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252229	0	45	0.0	-71.33	363.31	4.67	-66.66
[NH3+][C@@H](CC1=CC=C(Br)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252229	1	45	0.0	-71.38	363.38	4.67	-66.71
O=C(C1=CC=CC2=C1C[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252230	0	46	0.0	-44.43	328.15	5.30	-39.13
O=C(C1=CC=CC2=C1C[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252230	1	46	0.0	-44.45	328.19	5.30	-39.15
CC1=CC=CC(C(C[NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252231	0	48	0.0	-68.16	355.20	4.83	-63.33
CC1=CC=CC(C(C[NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252231	1	48	0.0	-68.14	355.23	4.85	-63.29
[NH3+]C(CCOCC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252232	0	45	0.0	-70.73	352.49	1.93	-68.80
[NH3+]C(CCOCC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252232	1	45	0.0	-70.71	352.54	1.94	-68.77
O=C(C1=NNC2=C1CC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252233	0	43	0.0	-75.49	318.71	2.46	-73.03
O=C(C1=NNC2=C1CC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252233	1	43	0.0	-75.49	318.77	2.47	-73.02
O=C(C1=COC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252234	0	48	0.0	-81.90	358.57	2.92	-78.98
O=C(C1=COC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252234	1	48	0.0	-81.94	358.62	2.94	-79.00
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020252235	0	48	0.0	-77.56	359.24	3.00	-74.56
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020252235	1	48	0.0	-77.53	359.19	2.99	-74.54
[NH3+]C1CCOC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252236	0	46	0.0	-83.16	336.43	2.40	-80.76
[NH3+]C1CCOC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252236	1	46	0.0	-83.14	336.49	2.41	-80.73
[NH3+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252237	0	46	0.0	-53.01	312.22	3.79	-49.22
[NH3+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252237	1	46	0.0	-53.05	312.27	3.80	-49.25
[NH3+]C1CC2(C1)CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)CC2	REAL300020252238	0	52	0.0	-76.47	366.04	4.74	-71.73
[NH3+]C1CC2(C1)CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)CC2	REAL300020252238	1	52	0.0	-76.46	366.09	4.76	-71.70
O=C(CC1CCC2(CC[NH2+]CC2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252239	0	58	0.0	-72.44	386.54	6.93	-65.51
O=C(CC1CCC2(CC[NH2+]CC2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252239	1	58	0.0	-72.42	386.58	6.93	-65.49
O=C(C1CC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252240	0	49	0.0	-75.13	347.59	5.27	-69.86
O=C(C1CC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252240	1	49	0.0	-75.15	347.64	5.28	-69.87
O=C(C1C[NH2+]CC2=CC=NN2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252241	0	46	0.0	-62.74	334.14	2.99	-59.75
O=C(C1C[NH2+]CC2=CC=NN2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252241	1	46	0.0	-62.71	334.19	2.99	-59.72
O=C(C1=CSC(CC2CC[NH2+]C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252242	0	48	0.0	-81.28	369.54	4.80	-76.48
O=C(C1=CSC(CC2CC[NH2+]C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252242	1	48	0.0	-81.24	369.60	4.82	-76.42
O=C(CC1C[NH2+]C2(CCC2)CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252243	0	50	0.0	-71.17	360.04	4.50	-66.67
O=C(CC1C[NH2+]C2(CCC2)CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252243	1	50	0.0	-71.19	360.10	4.53	-66.66
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C(C)[NH3+])=N1	REAL300020252244	0	44	0.0	-78.78	344.82	1.95	-76.83
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C(C)[NH3+])=N1	REAL300020252244	1	44	0.0	-78.79	344.87	1.96	-76.83
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(CC2CC[NH2+]CC2)=N1	REAL300020252245	0	54	0.0	-78.58	408.98	5.59	-72.99
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(CC2CC[NH2+]CC2)=N1	REAL300020252245	1	54	0.0	-78.19	408.95	5.58	-72.61
O=C(C1=CSC(CC2CC[NH2+]CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252246	0	51	0.0	-77.52	384.73	5.41	-72.11
O=C(C1=CSC(CC2CC[NH2+]CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252246	1	51	0.0	-77.52	384.78	5.41	-72.11
O=C(C1CC2(C1)CCC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252247	0	49	0.0	-81.43	347.73	5.32	-76.11
O=C(C1CC2(C1)CCC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252247	1	49	0.0	-81.43	347.78	5.34	-76.09
O=C(C1CC1C1CCC[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252248	0	49	0.0	-69.54	355.24	5.66	-63.88
O=C(C1CC1C1CCC[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252248	1	49	0.0	-69.53	355.29	5.66	-63.87
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252249	0	48	0.0	-78.81	344.26	1.83	-76.98
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252249	1	48	0.0	-78.82	344.31	1.84	-76.98
O=C(CC1CCC2C[NH2+]CCC2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252250	0	55	0.0	-74.01	383.22	6.67	-67.34
O=C(CC1CCC2C[NH2+]CCC2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252250	1	55	0.0	-74.00	383.28	6.69	-67.31
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2CCC[NH2+]C2)=N1	REAL300020252252	0	51	0.0	-78.37	389.10	4.84	-73.53
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2CCC[NH2+]C2)=N1	REAL300020252252	1	51	0.0	-78.41	389.14	4.85	-73.56
CC([NH3+])CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020252253	0	45	0.0	-71.12	343.03	1.92	-69.20
CC([NH3+])CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020252253	1	45	0.0	-71.14	342.99	1.90	-69.24
O=C(C1=CC=C(F)C2=C1CC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252254	0	46	0.0	-66.87	340.21	5.37	-61.50
O=C(C1=CC=C(F)C2=C1CC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252254	1	46	0.0	-66.83	340.22	5.37	-61.46
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252255	0	44	0.0	-58.76	353.03	3.20	-55.56
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252255	1	44	0.0	-58.75	352.98	3.19	-55.56
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1C[NH3+]	REAL300020252256	0	48	0.0	-84.59	356.14	4.63	-79.96
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1C[NH3+]	REAL300020252256	1	48	0.0	-84.64	356.18	4.63	-80.01
C[NH2+]CC1=C(C)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020252257	0	51	0.0	-78.29	377.88	6.49	-71.80
C[NH2+]CC1=C(C)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020252257	1	51	0.0	-78.28	377.92	6.51	-71.77
COC1C[NH2+]CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252258	0	46	0.0	-49.24	325.04	2.39	-46.85
COC1C[NH2+]CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252258	1	46	0.0	-49.31	325.08	2.41	-46.90
[NH3+]CC1CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CO1	REAL300020252259	0	46	0.0	-75.34	337.58	1.82	-73.52
[NH3+]CC1CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CO1	REAL300020252259	1	46	0.0	-75.30	337.63	1.82	-73.48
[NH3+]CC(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252260	0	48	0.0	-38.76	352.97	5.23	-33.53
[NH3+]CC(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252260	1	48	0.0	-38.75	353.01	5.25	-33.50
O=C(C1COC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252261	0	50	0.0	-76.82	358.72	3.20	-73.62
O=C(C1COC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252261	1	50	0.0	-76.85	358.78	3.20	-73.65
O=C(CC1CC[NH2+]CCC1(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020252262	0	48	0.0	-66.32	336.16	4.96	-61.36
O=C(CC1CC[NH2+]CCC1(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020252262	1	48	0.0	-67.19	335.71	5.00	-62.19
C[NH2+]CC1=CC=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252263	0	49	0.0	-70.96	374.57	5.97	-64.99
C[NH2+]CC1=CC=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252263	1	49	0.0	-70.94	374.62	5.97	-64.97
O=C([C@H]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252264	0	46	0.0	-69.98	324.92	4.32	-65.66
O=C([C@H]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252264	1	46	0.0	-69.97	324.97	4.32	-65.65
CC1(C)C(C[NH3+])CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1(=O)=O	REAL300020252265	0	51	0.0	-93.69	374.99	1.44	-92.25
CC1(C)C(C[NH3+])CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1(=O)=O	REAL300020252265	1	51	0.0	-93.62	375.04	1.44	-92.18
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252268	0	54	0.0	-73.57	414.62	6.22	-67.35
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252268	1	54	0.0	-73.52	414.67	6.23	-67.29
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252269	0	48	0.0	-50.27	356.30	5.10	-45.17
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252269	1	48	0.0	-50.30	356.35	5.10	-45.20
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(CC[NH3+])=N1	REAL300020252270	0	44	0.0	-87.97	344.50	2.19	-85.78
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(CC[NH3+])=N1	REAL300020252270	1	44	0.0	-87.96	344.81	2.21	-85.75
O=C(C1CC2(C1)CC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252271	0	46	0.0	-77.63	332.40	4.62	-73.01
O=C(C1CC2(C1)CC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252271	1	46	0.0	-77.61	332.45	4.63	-72.98
O=C(CC1C[NH2+]C2(C1)CCOCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252272	0	53	0.0	-64.49	377.32	3.98	-60.51
O=C(CC1C[NH2+]C2(C1)CCOCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252272	1	53	0.0	-64.50	377.39	3.98	-60.52
[NH3+]C1CCN(C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=N2)CC1	REAL300020252273	0	53	0.0	-79.69	389.94	3.34	-76.35
[NH3+]C1CCN(C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=N2)CC1	REAL300020252273	1	53	0.0	-79.65	389.91	3.34	-76.31
O=C(COCC1CC[NH2+]CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252274	0	49	0.0	-75.37	364.14	4.26	-71.11
O=C(COCC1CC[NH2+]CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252274	1	49	0.0	-75.31	364.20	4.27	-71.04
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252275	0	44	0.0	-61.53	353.19	3.10	-58.43
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252275	1	44	0.0	-61.55	353.12	3.08	-58.47
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252276	0	52	0.0	-75.02	381.80	7.47	-67.55
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252276	1	52	0.0	-75.02	381.85	7.48	-67.54
CC1=CC=C(CC(C[NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252277	0	51	0.0	-70.64	372.09	5.63	-65.01
CC1=CC=C(CC(C[NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252277	1	51	0.0	-70.61	372.15	5.64	-64.97
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252278	0	48	0.0	-49.05	362.53	4.77	-44.28
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252278	1	48	0.0	-49.06	362.51	4.76	-44.30
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252279	0	44	0.0	-90.48	345.52	-1.45	-91.93
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252279	1	44	0.0	-90.51	345.59	-1.45	-91.96
[NH3+]CCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020252280	0	41	0.0	-81.65	317.03	2.28	-79.37
[NH3+]CCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020252280	1	41	0.0	-81.71	317.08	2.29	-79.42
O=C(CC12CCCCC1[NH2+]CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252281	0	55	0.0	-78.61	363.62	6.26	-72.35
O=C(CC12CCCCC1[NH2+]CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252281	1	55	0.0	-78.60	363.68	6.27	-72.33
[NH3+][C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CN=C1	REAL300020252282	0	44	0.0	-67.17	336.09	2.57	-64.60
[NH3+][C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CN=C1	REAL300020252282	1	44	0.0	-67.16	336.03	2.54	-64.62
CC1(C)C[NH2+]CCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252283	0	51	0.0	-64.94	348.61	5.18	-59.76
CC1(C)C[NH2+]CCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252283	1	51	0.0	-64.94	348.67	5.20	-59.74
[NH3+]CC12C3C4C1C1C2C3C41C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252284	0	46	0.0	-93.92	339.21	4.45	-89.47
[NH3+]CC12C3C4C1C1C2C3C41C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252284	1	46	0.0	-93.96	339.27	4.46	-89.50
O=C([C@H]1CO[C@H]2C[NH2+]C[C@H]21)N1CCCCC1CC1=N[N-]N=N1	REAL300020252285	0	44	0.0	-47.63	308.32	1.90	-45.73
O=C([C@H]1CO[C@H]2C[NH2+]C[C@H]21)N1CCCCC1CC1=NN=N[N-]1	REAL300020252285	1	44	0.0	-47.70	308.34	1.91	-45.79
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C[NH3+]	REAL300020252288	0	46	0.0	-75.90	348.98	2.77	-73.13
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C[NH3+]	REAL300020252288	1	46	0.0	-75.91	349.01	2.78	-73.13
CC1(C)C[NH2+]CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020252289	0	46	0.0	-80.64	326.56	3.24	-77.40
CC1(C)C[NH2+]CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020252289	1	46	0.0	-80.65	326.61	3.24	-77.41
O=C(N1CCCCC1CC1=N[N-]N=N1)C1(C(F)F)CC[NH2+]CC1	REAL300020252290	0	45	0.0	-52.57	308.36	3.50	-49.07
O=C(N1CCCCC1CC1=NN=N[N-]1)C1(C(F)F)CC[NH2+]CC1	REAL300020252290	1	45	0.0	-52.54	308.40	3.51	-49.03
O=C(C1C[NH2+]CC2=NC=CN2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252291	0	46	0.0	-61.18	332.81	3.77	-57.41
O=C(C1C[NH2+]CC2=NC=CN2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252291	1	46	0.0	-61.18	332.86	3.78	-57.40
O=C(C1=COC2=C1C[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252292	1	40	0.0	-68.15	306.75	3.10	-65.05
[NH3+]C1CCCC2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C21	REAL300020252293	0	46	0.0	-81.64	312.97	3.01	-78.63
[NH3+]C1CCCC2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C21	REAL300020252293	1	46	0.0	-81.65	313.02	3.03	-78.62
O=C(C1=CSC(CC2CCC[NH2+]C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252294	0	51	0.0	-72.86	384.15	5.37	-67.49
O=C(C1=CSC(CC2CCC[NH2+]C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252294	1	51	0.0	-72.86	384.20	5.39	-67.47
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(CC2CC[NH2+]C2)=N1	REAL300020252295	0	51	0.0	-75.21	393.05	4.70	-70.51
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(CC2CC[NH2+]C2)=N1	REAL300020252295	1	51	0.0	-75.21	393.09	4.71	-70.50
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252296	0	48	0.0	-53.25	360.47	3.00	-50.25
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252296	1	48	0.0	-53.25	360.52	3.01	-50.24
O=C([C@H]1[NH2+][C@H]2C[C@@H]1C[C@@H]2O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252297	0	44	0.0	-64.76	320.64	0.30	-64.46
[NH3+]CCCCC(CC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252299	0	50	0.0	-74.48	368.24	4.08	-70.40
[NH3+]CCCCC(CC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252299	1	50	0.0	-74.48	368.27	4.10	-70.38
O=C(C1C[NH2+]C2(C1)CCOCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252300	0	50	0.0	-79.25	351.85	2.99	-76.26
O=C(C1C[NH2+]C2(C1)CCOCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252300	1	50	0.0	-79.15	351.91	3.00	-76.15
CC1(C)COC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C[NH2+]1	REAL300020252301	0	46	0.0	-74.12	327.72	3.16	-70.96
CC1(C)COC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C[NH2+]1	REAL300020252301	1	46	0.0	-74.10	327.78	3.16	-70.94
[NH3+]C1CC2(C1)CC1(CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C1)C2	REAL300020252303	0	53	0.0	-80.66	391.05	5.32	-75.34
[NH3+]C1CC2(C1)CC1(CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C1)C2	REAL300020252303	1	53	0.0	-80.72	391.12	5.34	-75.38
O=C(C1=CC=NC2=C1C[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252304	0	45	0.0	-63.51	330.43	3.50	-60.01
O=C(C1=CC=NC2=C1C[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252304	1	45	0.0	-63.41	330.43	3.51	-59.90
COC1=CC=C(CC([NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020252305	0	53	0.0	-58.30	396.16	3.68	-54.62
COC1=CC=C(CC([NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020252305	1	53	0.0	-58.29	396.22	3.70	-54.59
COC1=CC=C(C([NH3+])CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020252306	0	48	0.0	-41.47	360.45	1.67	-39.80
COC1=CC=C(C([NH3+])CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020252306	1	48	0.0	-41.50	360.42	1.66	-39.84
N#CC1=CC=CC(CC([NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252307	0	46	0.0	-59.95	358.78	4.85	-55.10
N#CC1=CC=CC(CC([NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252307	1	46	0.0	-59.92	358.84	4.85	-55.07
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252308	0	48	0.0	-75.16	340.21	4.48	-70.68
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252308	1	48	0.0	-75.12	340.34	4.51	-70.61
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252309	0	51	0.0	-76.53	396.82	4.71	-71.82
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252309	1	51	0.0	-76.58	396.89	4.71	-71.87
O=C(C1C[NH2+]C2(CCC2)CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252310	0	47	0.0	-77.64	335.81	3.63	-74.01
O=C(C1C[NH2+]C2(CCC2)CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252310	1	47	0.0	-77.68	335.87	3.65	-74.03
[NH3+]CCN1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252311	0	50	0.0	-78.81	354.96	1.37	-77.44
[NH3+]CCN1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252311	1	50	0.0	-78.85	355.01	1.40	-77.45
[NH3+]CCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020252312	0	42	0.0	-83.35	323.06	1.09	-82.26
[NH3+]CCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020252312	1	42	0.0	-83.37	323.02	1.08	-82.29
O=C(C1=CC(=O)NC2=C1C[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252313	0	46	0.0	-91.15	346.17	2.39	-88.76
O=C(C1=CC(=O)NC2=C1C[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252313	1	46	0.0	-91.19	346.23	2.40	-88.79
CN(C)C1C[NH2+]CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252314	0	50	0.0	-70.21	352.05	1.98	-68.23
CN(C)C1C[NH2+]CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252314	1	50	0.0	-70.22	352.10	1.99	-68.23
[NH3+][C@@H]1COC[C@H]1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020252315	0	43	0.0	-66.16	338.12	0.50	-65.66
[NH3+][C@@H]1COC[C@H]1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020252315	1	43	0.0	-66.16	338.17	0.51	-65.65
[NH3+]C[C@@H]1COC[C@H]1N1C=C(CNC(=O)CCC2=N[N-]N=N2)N=N1	REAL300020252316	0	42	0.0	-81.39	347.85	-2.78	-84.17
[NH3+]C[C@@H]1COC[C@H]1N1C=C(CNC(=O)CCC2=NN=N[N-]2)N=N1	REAL300020252316	1	42	0.0	-81.43	347.91	-2.76	-84.19
[NH3+]CC12CC(NC(=O)CCC3=N[N-]N=N3)(C1)C1(CCOCC1)O2	REAL300020252317	0	45	0.0	-69.25	344.48	-1.88	-71.13
[NH3+]CC12CC(NC(=O)CCC3=NN=N[N-]3)(C1)C1(CCOCC1)O2	REAL300020252317	1	45	0.0	-69.25	344.53	-1.87	-71.12
COC(=O)[C@@]1(F)CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C[NH3+]	REAL300020252318	0	38	0.0	-75.49	314.53	0.51	-74.98
COC(=O)[C@@]1(F)CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C[NH3+]	REAL300020252318	1	38	0.0	-75.49	314.59	0.53	-74.96
COC(=O)C(CC1CCCC[NH2+]1)NC(=O)CCC1=N[N-]N=N1	REAL300020252319	0	44	0.0	-62.65	348.74	3.82	-58.83
COC(=O)C(CC1CCCC[NH2+]1)NC(=O)CCC1=NN=N[N-]1	REAL300020252319	1	44	0.0	-62.65	348.79	3.84	-58.81
CCOC(=O)C12CC(CNC(=O)CCC3=N[N-]N=N3)(C1)OC21CC[NH2+]CC1	REAL300020252321	0	53	0.0	-63.62	411.24	2.37	-61.25
CCOC(=O)C12CC(CNC(=O)CCC3=NN=N[N-]3)(C1)OC21CC[NH2+]CC1	REAL300020252321	1	53	0.0	-63.63	411.30	2.37	-61.26
O=C(CCC1=NN=N[N-]1)NC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1	REAL300020252322	0	46	0.0	-69.91	356.51	1.43	-68.48
CC(C)C([NH3+])C(NC(=O)CCC1=N[N-]N=N1)C1CCCCC1	REAL300020252323	0	50	0.0	-75.34	354.74	4.03	-71.31
CC(C)C([NH3+])C(NC(=O)CCC1=NN=N[N-]1)C1CCCCC1	REAL300020252323	1	50	0.0	-75.37	354.80	4.05	-71.32
O=C(CCC1=N[N-]N=N1)NCC(C1=CC=CC=C1)C1CC[NH2+]CC1	REAL300020252324	0	48	0.0	-69.15	372.29	4.59	-64.56
O=C(CCC1=NN=N[N-]1)NCC(C1=CC=CC=C1)C1CC[NH2+]CC1	REAL300020252324	1	48	0.0	-69.13	372.35	4.60	-64.53
CC([NH3+])C(NC(=O)CCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020252325	0	44	0.0	-56.79	350.66	3.96	-52.83
CC([NH3+])C(NC(=O)CCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020252325	1	44	0.0	-56.79	350.72	3.98	-52.81
CC(C)C([NH3+])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020252326	0	44	0.0	-63.75	334.70	2.91	-60.84
CC(C)C([NH3+])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020252326	1	44	0.0	-63.75	334.76	2.92	-60.83
O=C(CCC1=N[N-]N=N1)NC1C[NH2+]C(C2=CC=C(Br)C=C2)C1	REAL300020252327	0	39	0.0	-67.71	338.34	3.68	-64.03
O=C(CCC1=NN=N[N-]1)NC1C[NH2+]C(C2=CC=C(Br)C=C2)C1	REAL300020252327	1	39	0.0	-67.69	338.39	3.70	-63.99
O=C(CCC1=N[N-]N=N1)NCC1CCC2(CC[NH2+]CC2)CO1	REAL300020252328	0	46	0.0	-70.58	342.56	1.17	-69.41
O=C(CCC1=NN=N[N-]1)NCC1CCC2(CC[NH2+]CC2)CO1	REAL300020252328	1	46	0.0	-70.58	342.61	1.18	-69.40
[NH3+][C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300020252329	0	39	0.0	-75.30	322.82	2.85	-72.45
[NH3+][C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=C(F)C=C1	REAL300020252329	1	39	0.0	-75.32	322.87	2.87	-72.45
COC(=O)C1(C[NH3+])CC2CN(C(=O)CCC3=N[N-]N=N3)CC2C1	REAL300020252330	0	45	0.0	-83.77	348.02	2.50	-81.27
COC(=O)C1(C[NH3+])CC2CN(C(=O)CCC3=NN=N[N-]3)CC2C1	REAL300020252330	1	45	0.0	-83.83	348.07	2.52	-81.31
CC([NH3+])C(CCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020252331	0	44	0.0	-69.61	349.10	3.15	-66.46
CC([NH3+])C(CCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020252331	1	44	0.0	-69.58	349.16	3.17	-66.41
[NH3+]CC1=CC=C2C(=C1)CCCC2NC(=O)CCC1=N[N-]N=N1	REAL300020252332	0	42	0.0	-71.69	331.76	2.44	-69.25
[NH3+]CC1=CC=C2C(=C1)CCCC2NC(=O)CCC1=NN=N[N-]1	REAL300020252332	1	42	0.0	-71.72	331.82	2.45	-69.27
O=C(CCC1=N[N-]N=N1)NC1=CC=C(CO)C2=C1CC[NH2+]C2	REAL300020252333	0	40	0.0	-80.33	317.76	0.23	-80.10
O=C(CCC1=NN=N[N-]1)NC1=CC=C(CO)C2=C1CC[NH2+]C2	REAL300020252333	1	40	0.0	-80.36	317.81	0.25	-80.11
[NH3+]CC(C1=CC=CC=C1)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020252335	0	48	0.0	-86.46	358.41	4.51	-81.95
[NH3+]CC(C1=CC=CC=C1)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020252335	1	48	0.0	-86.44	358.46	4.52	-81.92
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1N1CC[NH2+]CC1	REAL300020252339	0	44	0.0	-70.11	346.76	2.84	-67.27
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1N1CC[NH2+]CC1	REAL300020252339	1	44	0.0	-70.07	346.81	2.86	-67.21
O=C(CCC1=N[N-]N=N1)N=S1(=O)CCC2(CCC[NH2+]2)CC1	REAL300020252341	0	41	0.0	-90.30	319.70	1.12	-89.18
O=C(CCC1=NN=N[N-]1)N=S1(=O)CCC2(CCC[NH2+]2)CC1	REAL300020252341	1	41	0.0	-90.29	319.76	1.13	-89.16
CC12CC(NC(=O)CCC3=N[N-]N=N3)(C1)C1(CC[NH2+]CC1)O2	REAL300020252342	0	44	0.0	-68.42	332.98	0.66	-67.76
CC12CC(NC(=O)CCC3=NN=N[N-]3)(C1)C1(CC[NH2+]CC1)O2	REAL300020252342	1	44	0.0	-68.41	333.04	0.68	-67.73
O=C(CCC1=N[N-]N=N1)NCCC1[NH2+]CCC2=CC=CC=C21	REAL300020252343	0	42	0.0	-66.02	332.77	3.48	-62.54
O=C(CCC1=NN=N[N-]1)NCCC1[NH2+]CCC2=CC=CC=C21	REAL300020252343	1	42	0.0	-66.03	332.83	3.49	-62.54
O=C(CCC1=N[N-]N=N1)NCC1OC(=O)CC12CC[NH2+]CC2	REAL300020252344	0	42	0.0	-80.99	326.20	1.15	-79.84
O=C(CCC1=NN=N[N-]1)NCC1OC(=O)CC12CC[NH2+]CC2	REAL300020252344	1	42	0.0	-81.00	326.26	1.17	-79.83
O=C(CCC1=N[N-]N=N1)NCC1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL300020252345	0	41	0.0	-67.48	337.49	0.47	-67.01
O=C(CCC1=NN=N[N-]1)NCC1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL300020252345	1	41	0.0	-67.51	337.54	0.48	-67.03
CN(C)S(=O)(=NC(=O)CCC1=N[N-]N=N1)N1CC[NH2+]CC1	REAL300020252347	0	41	0.0	-87.97	333.41	-1.00	-88.97
CN(C)S(=O)(=NC(=O)CCC1=NN=N[N-]1)N1CC[NH2+]CC1	REAL300020252347	1	41	0.0	-87.95	333.45	-1.00	-88.95
O=C(CCC1=N[N-]N=N1)NCC1(C2CC[NH2+]CC2)CCOCC1	REAL300020252348	0	49	0.0	-63.70	345.92	2.44	-61.26
O=C(CCC1=NN=N[N-]1)NCC1(C2CC[NH2+]CC2)CCOCC1	REAL300020252348	1	49	0.0	-63.70	345.97	2.46	-61.24
O=C(CCC1=N[N-]N=N1)NCC1=CC=NC(N2CC[NH2+]CC2)=C1	REAL300020252349	0	43	0.0	-69.80	346.82	0.97	-68.83
O=C(CCC1=NN=N[N-]1)NCC1=CC=NC(N2CC[NH2+]CC2)=C1	REAL300020252349	1	43	0.0	-69.85	346.88	0.98	-68.87
O=C(CCC1=N[N-]N=N1)N1CCC[NH2+]CC1C1=CC=CC=C1	REAL300020252350	0	42	0.0	-70.26	319.06	4.99	-65.27
O=C(CCC1=NN=N[N-]1)N1CCC[NH2+]CC1C1=CC=CC=C1	REAL300020252350	1	42	0.0	-70.26	319.11	5.00	-65.26
O=C(CCC1=N[N-]N=N1)N1CCCCC12CC1CCC(C2)[NH2+]1	REAL300020252352	0	46	0.0	-63.19	316.26	4.42	-58.77
O=C(CCC1=NN=N[N-]1)N1CCCCC12CC1CCC(C2)[NH2+]1	REAL300020252352	1	46	0.0	-63.18	316.31	4.43	-58.75
O=C(CCC1=N[N-]N=N1)NCCC1=CC=C(N2CC[NH2+]CC2)C=C1	REAL300020252353	0	47	0.0	-71.76	370.53	2.35	-69.41
O=C(CCC1=NN=N[N-]1)NCCC1=CC=C(N2CC[NH2+]CC2)C=C1	REAL300020252353	1	47	0.0	-71.78	370.59	2.36	-69.42
O=C(CCC1=N[N-]N=N1)N=S1(=O)CCC2(CC1)C[NH2+]CCO2	REAL300020252355	0	42	0.0	-100.02	326.26	-0.46	-100.48
O=C(CCC1=NN=N[N-]1)N=S1(=O)CCC2(CC1)C[NH2+]CCO2	REAL300020252355	1	42	0.0	-99.97	326.32	-0.45	-100.42
CN1C=NC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C21CC[NH2+]C1	REAL300020252356	0	43	0.0	-47.06	326.42	4.13	-42.93
CN1C=NC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C21CC[NH2+]C1	REAL300020252356	1	43	0.0	-47.13	326.48	4.14	-42.99
CN1C=CN=C1C1C[NH2+]CCN1CCNC(=O)CCC1=N[N-]N=N1	REAL300020252357	0	47	0.0	-77.10	371.52	-0.41	-77.51
CN1C=CN=C1C1C[NH2+]CCN1CCNC(=O)CCC1=NN=N[N-]1	REAL300020252357	1	47	0.0	-77.11	371.58	-0.40	-77.51
[NH3+]CC1CC2(C1)CC(NC(=O)CCC1=N[N-]N=N1)CCS2(=O)=O	REAL300020252358	0	45	0.0	-79.85	362.30	-1.63	-81.48
[NH3+]CC1CC2(C1)CC(NC(=O)CCC1=NN=N[N-]1)CCS2(=O)=O	REAL300020252358	1	45	0.0	-79.92	362.36	-1.62	-81.54
COC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)CC1C1CC[NH2+]CC1	REAL300020252359	0	48	0.0	-70.04	362.72	3.78	-66.26
COC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)CC1C1CC[NH2+]CC1	REAL300020252359	1	48	0.0	-70.03	362.78	3.79	-66.24
CCOC(=O)[C@@]12C[NH2+]C[C@@H]1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020252360	0	42	0.0	-63.51	337.09	2.57	-60.94
CCOC(=O)[C@@]12C[NH2+]C[C@@H]1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020252360	1	42	0.0	-63.49	337.15	2.59	-60.90
[NH3+]C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020252361	0	38	0.0	-66.52	303.88	1.67	-64.85
[NH3+]C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020252361	1	38	0.0	-66.51	303.94	1.68	-64.83