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CC[N@@H+]1CCCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019650824	0	42	0.0	-69.27	329.24	5.58	-63.69
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CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019650852	1	53	0.0	-67.19	385.47	7.25	-59.94
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CC1=CC=CC(N2CC[NH+](CCCNC(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300019651173	1	56	0.0	-76.58	430.52	6.01	-70.57
C[NH+](C)CC1=CC=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019651185	0	44	0.0	-83.79	356.57	8.12	-75.67
C[NH+](C)CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019651186	0	41	0.0	-63.75	342.30	5.06	-58.69
C[NH+](C)CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019651186	1	41	0.0	-58.25	341.94	5.06	-53.19
CC(C)C(CNC(=O)CCCC1=N[N-]N=N1)N1CCOCC1	REAL300019651189	0	48	0.0	-67.62	349.94	3.76	-63.86
CC(C)C(CNC(=O)CCCC1=NN=N[N-]1)N1CCOCC1	REAL300019651189	1	48	0.0	-67.67	350.00	3.77	-63.90
CC(C)C(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCOCC1	REAL300019651189	1	48	0.0	-67.62	349.94	3.76	-63.86
CC(C)C(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCOCC1	REAL300019651189	1	48	0.0	-67.67	350.00	3.77	-63.90
CC(C)C(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOCC1	REAL300019651190	0	51	0.0	-75.67	375.08	7.20	-68.47
CC(C)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[NH+]1CCOCC1	REAL300019651190	1	51	0.0	-75.67	375.08	7.20	-68.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300019664133	0	53	0.0	-73.29	416.46	9.42	-63.87
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C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019666884	0	46	0.0	-76.61	374.70	6.58	-70.03
COC(=O)CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+]1CCCCC1	REAL300019666928	1	48	0.0	-74.75	372.98	7.10	-67.65
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C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019667171	0	45	0.0	-65.24	338.78	6.00	-59.24
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019667171	1	45	0.0	-65.07	338.57	6.00	-59.07
C#CCC[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019667292	1	43	0.0	-81.49	343.09	7.94	-73.55
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL300019667299	0	52	0.0	-79.65	404.53	7.20	-72.45
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C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019667300	1	55	0.0	-65.21	423.89	9.68	-55.53
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CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019672670	1	54	0.0	-83.66	400.57	2.95	-80.71
C[NH+](C)CCSC1=NC(CC(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL300019672763	0	45	0.0	-79.92	384.29	5.04	-74.88
C[NH+](C)CCSC1=NC(CC(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL300019672763	1	45	0.0	-79.89	384.35	5.06	-74.83
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019672840	0	45	0.0	-77.52	351.54	6.28	-71.24
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019672840	1	45	0.0	-77.47	351.60	6.30	-71.17
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCCC1C1=NN=N[N-]1	REAL300019672853	1	43	0.0	-78.30	341.83	5.40	-72.90
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019672854	0	51	0.0	-70.35	404.48	6.27	-64.08
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019672854	1	51	0.0	-70.30	404.42	6.24	-64.06
C[N@@H+]1CC(C(=O)N2CCCC2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300019672855	0	39	0.0	-72.78	303.83	3.88	-68.90
C[N@H+]1CC(C(=O)N2CCCC2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300019672855	1	39	0.0	-72.59	306.56	4.56	-68.03
C[N@@H+]1CC(C(=O)N2CCCC2C2=N[N-]N=N2)C(C(F)(F)F)C1	REAL300019672855	1	39	0.0	-72.77	303.78	3.87	-68.90
C[N@H+]1CC(C(=O)N2CCCC2C2=N[N-]N=N2)C(C(F)(F)F)C1	REAL300019672855	1	39	0.0	-72.66	306.50	4.54	-68.12
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)S2)CC1	REAL300019672949	1	48	0.0	-79.33	380.09	4.11	-75.22
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019673003	0	52	0.0	-76.38	408.96	7.14	-69.24
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019673003	1	52	0.0	-76.39	409.02	7.17	-69.22
CC(C)C[NH+]1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019673010	0	48	0.0	-70.44	351.51	5.85	-64.59
CC(C)C[NH+]1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019673010	1	48	0.0	-70.41	351.57	5.88	-64.53
CC1CC2CCC(C(=O)N3CCCC3C3=NN=N[N-]3)C[N@@H+]2C1	REAL300019673027	0	46	0.0	-62.96	338.64	5.48	-57.48
CC1CC2CCC(C(=O)N3CCCC3C3=NN=N[N-]3)C[N@H+]2C1	REAL300019673027	1	46	0.0	-59.06	342.65	5.65	-53.41
CC1CC2CCC(C(=O)N3CCCC3C3=N[N-]N=N3)C[N@@H+]2C1	REAL300019673027	1	46	0.0	-62.90	338.59	5.45	-57.45
CC1CC2CCC(C(=O)N3CCCC3C3=N[N-]N=N3)C[N@H+]2C1	REAL300019673027	1	46	0.0	-59.07	342.59	5.63	-53.44
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCC1C1=NN=N[N-]1	REAL300019673029	0	46	0.0	-69.74	320.90	4.88	-64.86
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCC1C1=NN=N[N-]1	REAL300019673029	1	46	0.0	-54.57	330.23	5.80	-48.77
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCC1C1=N[N-]N=N1	REAL300019673029	1	46	0.0	-69.77	320.84	4.85	-64.92
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCC1C1=N[N-]N=N1	REAL300019673029	1	46	0.0	-54.53	330.17	5.79	-48.74
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019673078	0	49	0.0	-66.91	373.18	7.49	-59.42
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019673078	1	49	0.0	-69.84	377.26	7.20	-62.64
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019673078	1	49	0.0	-66.89	373.13	7.46	-59.43
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019673078	1	49	0.0	-69.85	377.20	7.18	-62.67
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019673102	0	50	0.0	-81.24	396.38	6.85	-74.39
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019673102	1	50	0.0	-81.22	396.44	6.88	-74.34
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCCC1C1=NN=N[N-]1	REAL300019673151	1	46	0.0	-76.57	356.97	6.04	-70.53
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019674445	0	46	0.0	-80.65	358.87	5.26	-75.39
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019674445	1	46	0.0	-80.61	358.93	5.28	-75.33
COC(=O)CC(C(=O)N1CCCC1C1=NN=N[N-]1)[NH+]1CCCCC1	REAL300019674485	0	48	0.0	-47.30	358.22	5.17	-42.13
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019674593	0	52	0.0	-68.65	394.48	8.36	-60.29
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019674593	1	52	0.0	-68.66	394.54	8.38	-60.28
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CCO1	REAL300019674594	1	50	0.0	-82.59	383.22	5.68	-76.91
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CCO1	REAL300019674594	1	50	0.0	-52.01	370.86	5.17	-46.84
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019674696	0	59	0.0	-80.39	439.19	4.16	-76.23
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019674696	1	59	0.0	-80.39	439.25	4.19	-76.20
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019674711	0	48	0.0	-55.42	343.31	6.12	-49.30
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019674711	1	48	0.0	-60.23	356.40	6.03	-54.20
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019674711	1	48	0.0	-55.40	343.26	6.11	-49.29
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300019674711	1	48	0.0	-60.21	356.34	6.01	-54.20
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019674716	0	47	0.0	-80.87	374.19	7.81	-73.06
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019674716	1	47	0.0	-80.84	374.25	7.82	-73.02
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019674717	0	50	0.0	-94.15	391.86	10.02	-84.13
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019674717	1	50	0.0	-92.17	390.71	10.18	-81.99
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019674718	0	47	0.0	-57.20	371.73	8.32	-48.88
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019674718	1	47	0.0	-57.18	371.79	8.32	-48.86
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019674722	0	47	0.0	-83.37	380.60	7.86	-75.51
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019674722	1	47	0.0	-83.38	380.66	7.87	-75.51
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019674723	0	50	0.0	-95.76	395.76	10.10	-85.66
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019674723	1	50	0.0	-95.53	395.85	10.12	-85.41
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019674724	0	47	0.0	-59.87	387.18	8.57	-51.30
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019674724	1	47	0.0	-59.87	387.25	8.58	-51.29
CC1=CC=C(CN(CC[NH+](C)C)C(=O)CCCC2=N[N-]N=N2)O1	REAL300019674725	0	47	0.0	-77.85	377.76	6.76	-71.09
CC1=CC=C(CN(CC[NH+](C)C)C(=O)CCCC2=NN=N[N-]2)O1	REAL300019674725	1	47	0.0	-77.85	377.82	6.78	-71.07
CC1=CC=C(CN(CC[NH+](C)C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)O1	REAL300019674726	0	50	0.0	-63.47	397.47	9.14	-54.33
CC1=CC=C(CN(CC[NH+](C)C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)O1	REAL300019674726	1	50	0.0	-63.33	397.54	9.16	-54.17
CC1=CC=C(CN(CC[NH+](C)C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300019674727	0	47	0.0	-65.34	382.56	7.73	-57.61
CC1=CC=C(CN(CC[NH+](C)C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300019674727	1	47	0.0	-65.30	382.63	7.74	-57.56
C[NH+](C)CCN(CC1=CC=C(Br)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019674731	0	47	0.0	-82.15	395.49	8.44	-73.71
C[NH+](C)CCN(CC1=CC=C(Br)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019674731	1	47	0.0	-82.15	395.55	8.45	-73.70
C[NH+](C)CCN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019674733	0	50	0.0	-83.63	412.93	8.81	-74.82
C[NH+](C)CCN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019674733	1	50	0.0	-83.64	412.99	8.83	-74.81
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019674734	0	53	0.0	-68.31	401.63	8.73	-59.58
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019674734	1	53	0.0	-68.34	401.69	8.74	-59.60
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019674735	0	56	0.0	-90.86	425.21	11.24	-79.62
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019674735	1	56	0.0	-89.70	425.39	11.28	-78.42
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019674736	0	53	0.0	-60.13	409.80	9.76	-50.37
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019674736	1	53	0.0	-60.10	409.85	9.76	-50.34
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019674737	0	47	0.0	-77.79	390.93	8.30	-69.49
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019674737	1	47	0.0	-77.79	390.98	8.32	-69.47
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019674738	0	50	0.0	-59.66	410.31	10.70	-48.96
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019674738	1	50	0.0	-59.59	410.39	10.73	-48.86
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019674739	0	47	0.0	-55.32	397.50	9.01	-46.31
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019674739	1	47	0.0	-55.25	397.57	9.01	-46.24
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)CCCC1=N[N-]N=N1	REAL300019674740	0	47	0.0	-87.81	380.77	7.90	-79.91
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)CCCC1=NN=N[N-]1	REAL300019674740	1	47	0.0	-87.79	380.83	7.91	-79.88
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019674741	0	47	0.0	-51.52	388.41	8.45	-43.07
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019674741	1	47	0.0	-51.48	388.47	8.45	-43.03
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019674742	0	47	0.0	-81.35	386.89	7.93	-73.42
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019674742	1	47	0.0	-81.41	386.95	7.95	-73.46
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019674743	0	47	0.0	-59.80	384.44	8.44	-51.36
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019674743	1	47	0.0	-59.79	384.49	8.44	-51.35
C[NH+](C)CCN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019674744	0	50	0.0	-77.67	412.93	8.80	-68.87
C[NH+](C)CCN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019674744	1	50	0.0	-77.72	412.99	8.82	-68.90
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019674745	0	47	0.0	-78.12	380.60	7.86	-70.26
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019674745	1	47	0.0	-78.13	380.66	7.87	-70.26
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019674746	0	50	0.0	-89.08	395.76	10.10	-78.98
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019674746	1	50	0.0	-88.85	395.85	10.12	-78.73
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019674747	0	47	0.0	-56.17	378.15	8.38	-47.79
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019674747	1	47	0.0	-56.18	378.22	8.39	-47.79
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2CCCCC2)CC1	REAL300019674823	0	54	0.0	-71.31	398.34	6.98	-64.33
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2CCCCC2)CC1	REAL300019674823	1	54	0.0	-71.33	398.40	6.99	-64.34
O=C(NC1CC[NH+](CC2CCCCC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019674824	0	57	0.0	-76.54	423.13	9.88	-66.66
O=C(NC1CC[NH+](CC2CCCCC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019674824	1	57	0.0	-76.38	423.19	9.89	-66.49
O=C(NC1CC[NH+](CC2CCCCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019674825	0	54	0.0	-62.03	409.06	6.79	-55.24
O=C(NC1CC[NH+](CC2CCCCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019674825	1	54	0.0	-61.95	409.13	6.80	-55.15
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300019674858	1	45	0.0	-71.70	358.30	5.51	-66.19
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+]1CCC2=C(C=CS2)C1	REAL300019674858	1	45	0.0	-71.70	358.34	5.53	-66.17
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300019674858	1	45	0.0	-71.74	358.35	5.52	-66.22
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C[NH+](C)C1CCCCC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019683026	0	47	0.0	-73.04	353.09	7.78	-65.26
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C[NH+](C)C1CCCCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019683027	0	44	0.0	-56.81	339.34	4.67	-52.14
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CC1=C(C)OC(C[NH+]2CCC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=N1	REAL300019683029	1	53	0.0	-64.75	425.96	3.56	-61.19
C[NH+]1CCC(C#N)(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683033	1	42	0.0	-86.77	335.85	5.67	-81.10
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CC1C[N@H+](C)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019683048	1	41	0.0	-47.14	314.05	6.84	-40.30
CC1C[N@@H+](C)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019683048	1	41	0.0	-76.42	312.77	6.52	-69.90
O=C(CCCC1=N[N-]N=N1)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300019683079	0	60	0.0	-74.69	460.19	9.41	-65.28
O=C(CCCC1=NN=N[N-]1)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300019683079	1	60	0.0	-74.68	460.24	9.42	-65.26
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCCCC2)CCOCC1	REAL300019683096	0	52	0.0	-68.56	366.28	4.64	-63.92
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCCCC2)CCOCC1	REAL300019683096	1	52	0.0	-68.62	366.34	4.66	-63.96
O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019683097	0	55	0.0	-74.69	393.57	6.84	-67.85
O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019683097	1	55	0.0	-73.37	394.15	6.91	-66.46
O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019683098	0	52	0.0	-54.07	379.99	3.74	-50.33
O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019683098	1	52	0.0	-54.12	379.92	3.74	-50.38
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1	REAL300019683103	0	51	0.0	-73.31	402.43	7.30	-66.01
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1	REAL300019683103	1	51	0.0	-71.12	402.45	7.30	-63.82
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1	REAL300019683103	1	51	0.0	-73.27	402.49	7.31	-65.96
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1	REAL300019683103	1	51	0.0	-71.12	402.51	7.31	-63.81
CC1=CC(N2CCC(N(C)C(=O)CCCC3=N[N-]N=N3)CC2)=NC(C(C)C)=[NH+]1	REAL300019683170	0	58	0.0	-64.68	441.31	7.32	-57.36
CN(C)C(=O)C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019683173	1	48	0.0	-75.81	373.08	3.30	-72.51
CN(C)C(=O)C[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683174	1	51	0.0	-75.39	398.84	6.20	-69.19
CN(C)C(=O)C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019683175	1	48	0.0	-64.63	384.57	3.10	-61.53
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([NH+]2CCCC2)CC1	REAL300019683180	0	48	0.0	-75.63	358.98	8.30	-67.33
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC([NH+]2CCCC2)CC1	REAL300019683180	1	48	0.0	-72.09	358.99	8.25	-63.84
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([NH+]2CCCC2)CC1	REAL300019683181	0	45	0.0	-57.67	344.85	6.01	-51.66
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH+]2CCCC2)CC1	REAL300019683181	1	45	0.0	-57.67	344.92	6.02	-51.65
C[NH+](C)CCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019683182	0	48	0.0	-73.51	387.32	5.17	-68.34
C[NH+](C)CCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019683182	1	48	0.0	-73.56	387.37	5.18	-68.38
C[NH+](C)CCOC1=CC=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019683183	0	51	0.0	-79.60	411.70	8.05	-71.55
C[NH+](C)CCOC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019683184	0	48	0.0	-61.42	397.91	4.95	-56.47
C[NH+](C)CCOC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019683184	1	48	0.0	-61.41	397.98	4.96	-56.45
C[NH+](C)CCOC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019683185	0	48	0.0	-72.45	387.32	5.17	-67.28
C[NH+](C)CCOC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019683185	1	48	0.0	-72.46	387.38	5.18	-67.28
C[NH+](C)CCOC1=CC=CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019683186	0	51	0.0	-77.73	411.65	8.07	-69.66
C[NH+](C)CCOC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019683187	0	48	0.0	-60.68	397.92	4.95	-55.73
C[NH+](C)CCOC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019683187	1	48	0.0	-60.66	397.99	4.95	-55.71
CC[NH+](CC)CCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1OC	REAL300019683188	0	58	0.0	-71.03	447.95	6.10	-64.93
CC[NH+](CC)CCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1OC	REAL300019683188	1	58	0.0	-71.09	448.01	6.12	-64.97
O=C(CCCC1=N[N-]N=N1)N1CCC(C[NH+]2CCCCCC2)CC1	REAL300019683189	0	54	0.0	-73.80	383.82	7.61	-66.19
O=C(CCCC1=NN=N[N-]1)N1CCC(C[NH+]2CCCCCC2)CC1	REAL300019683189	1	54	0.0	-73.83	383.88	7.63	-66.20
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C[NH+]2CCCCCC2)CC1	REAL300019683190	0	54	0.0	-60.17	391.19	7.90	-52.27
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C[NH+]2CCCCCC2)CC1	REAL300019683190	1	54	0.0	-60.18	391.26	7.91	-52.27
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689827	1	41	0.0	-57.63	341.92	4.50	-53.13
C[N@@H+]1CCCC(O)(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019689906	0	46	0.0	-62.49	353.17	3.61	-58.88
C[N@H+]1CCCC(O)(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019689906	1	46	0.0	-61.99	362.84	3.79	-58.20
C[N@@H+]1CCCC(O)(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019689906	1	46	0.0	-62.51	353.24	3.60	-58.91
C[N@H+]1CCCC(O)(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019689906	1	46	0.0	-61.94	362.91	3.78	-58.16
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019690057	1	53	0.0	-63.46	433.89	5.00	-58.46
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019690057	1	53	0.0	-63.39	433.58	5.03	-58.36
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019690058	1	50	0.0	-65.81	411.13	2.68	-63.13
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019690058	1	50	0.0	-62.74	411.77	2.66	-60.08
C[N@@H+]1CCCCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690064	0	42	0.0	-61.69	334.57	5.02	-56.67
C[N@H+]1CCCCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690064	1	42	0.0	-62.93	325.26	4.86	-58.07
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019692509	0	49	0.0	-69.58	400.48	6.71	-62.87
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019692509	1	49	0.0	-69.60	400.55	6.71	-62.89
COC(=O)CC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+]1CCCCC1	REAL300019692555	1	51	0.0	-59.40	397.68	6.34	-53.06
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019692696	0	55	0.0	-66.29	432.25	9.37	-56.92
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019692696	1	55	0.0	-66.25	432.31	9.37	-56.88
CC1C[N@H+](CC2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)CCO1	REAL300019692697	1	53	0.0	-72.44	418.11	7.09	-65.35
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)CCO1	REAL300019692697	1	53	0.0	-72.70	418.12	7.09	-65.61
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019692769	0	42	0.0	-65.84	342.11	5.17	-60.67
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019692769	1	42	0.0	-65.87	342.17	5.16	-60.71
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019692781	0	48	0.0	-62.80	364.84	6.13	-56.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019692781	1	48	0.0	-62.83	364.91	6.12	-56.71
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019692864	0	51	0.0	-63.79	393.75	7.14	-56.65
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019692864	1	51	0.0	-60.26	387.47	7.34	-52.92
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019692864	1	51	0.0	-63.79	393.75	7.14	-56.65
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019692864	1	51	0.0	-60.26	387.47	7.34	-52.92
CC[N@@H+]1CCCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019692865	0	45	0.0	-63.91	354.79	5.71	-58.20
CC[N@H+]1CCCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019692865	1	45	0.0	-63.90	354.77	5.71	-58.19
CC[N@@H+]1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019692865	1	45	0.0	-63.91	354.79	5.71	-58.20
CC[N@H+]1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019692865	1	45	0.0	-63.90	354.77	5.71	-58.19
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019697389	0	53	0.0	-75.51	416.80	7.76	-67.75
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019697389	1	53	0.0	-81.33	415.76	7.74	-73.59
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019697389	1	53	0.0	-75.49	416.86	7.79	-67.70
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019697389	1	53	0.0	-81.34	415.82	7.76	-73.58
C[NH+](C)C(CC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300019697452	0	46	0.0	-75.11	351.45	5.00	-70.11
C[NH+](C)C(CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019697452	1	46	0.0	-75.10	351.51	5.03	-70.07
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697465	0	50	0.0	-61.04	350.74	4.57	-56.47
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697465	1	50	0.0	-60.62	351.62	4.49	-56.13
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697465	1	50	0.0	-61.05	350.68	4.55	-56.50
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697465	1	50	0.0	-60.60	351.57	4.46	-56.14
O=C(CCCC[NH+]1CCOCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697557	1	47	0.0	-73.77	360.06	2.61	-71.16
O=C(CCCC[NH+]1CCOCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697557	1	47	0.0	-73.72	360.12	2.63	-71.09
O=C(C1CC[NH+](C2CC2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697789	0	44	0.0	-53.48	330.68	3.75	-49.73
O=C(C1CC[NH+](C2CC2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697789	1	44	0.0	-53.51	330.74	3.78	-49.73
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697973	0	50	0.0	-76.41	381.61	6.02	-70.39
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697973	1	50	0.0	-76.42	381.66	6.04	-70.38
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698007	0	47	0.0	-77.31	364.93	5.32	-71.99
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698007	1	47	0.0	-77.31	364.99	5.35	-71.96
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019698009	1	57	0.0	-71.49	429.23	2.68	-68.81
CC(C)[N@@H+]1CCOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019698010	1	44	0.0	-73.78	329.23	2.35	-71.43
CC(C)[N@H+]1CCOC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019698010	1	44	0.0	-64.86	322.31	2.20	-62.66
CC(C)[N@@H+]1CCOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019698010	1	44	0.0	-73.78	329.29	2.38	-71.40
CC(C)[N@H+]1CCOC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019698010	1	44	0.0	-64.86	322.37	2.21	-62.65
CC[NH+](CC)CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019698025	0	49	0.0	-77.14	373.38	5.47	-71.67
CC[NH+](CC)CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019698025	1	49	0.0	-77.15	373.44	5.50	-71.65
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698049	0	43	0.0	-57.98	336.39	4.13	-53.85
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698049	1	43	0.0	-57.99	336.45	4.15	-53.84
C[NH+](C)CCN1N=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300019698054	0	53	0.0	-74.57	415.03	5.51	-69.06
C[NH+](C)CCN1N=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300019698054	1	53	0.0	-74.54	414.98	5.48	-69.06
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698104	0	50	0.0	-83.01	391.80	6.18	-76.83
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698104	1	50	0.0	-82.87	392.21	6.22	-76.65
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698104	1	50	0.0	-82.97	391.85	6.20	-76.77
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698104	1	50	0.0	-82.86	392.26	6.25	-76.61
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698119	0	50	0.0	-47.37	372.17	5.47	-41.90
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698119	1	50	0.0	-47.39	372.23	5.50	-41.89
CC1=[NH+]C=C2CCC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)CN21	REAL300019698139	1	42	0.0	-48.76	330.02	3.63	-45.13
CC1=[NH+]C=C2CCC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)CN21	REAL300019698139	1	42	0.0	-48.78	330.08	3.64	-45.14
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698147	0	53	0.0	-73.57	405.18	6.94	-66.63
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698147	1	53	0.0	-68.62	395.83	6.86	-61.76
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698147	1	53	0.0	-73.52	405.24	6.97	-66.55
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698147	1	53	0.0	-68.63	395.88	6.87	-61.76
CCN1CCC([NH+]2CCC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)CC2)CC1	REAL300019698151	0	58	0.0	-72.42	412.06	3.58	-68.84
CCN1CCC([NH+]2CCC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)CC2)CC1	REAL300019698151	1	58	0.0	-72.41	412.12	3.61	-68.80
C[NH+](C)CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019698191	0	42	0.0	-74.32	334.80	2.59	-71.73
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699662	0	54	0.0	-70.81	406.56	7.12	-63.69
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699662	1	54	0.0	-71.64	403.48	6.83	-64.81
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699662	1	54	0.0	-70.81	406.61	7.15	-63.66
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699662	1	54	0.0	-71.62	403.53	6.86	-64.76
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699680	1	39	0.0	-59.47	313.45	1.64	-57.83
O=C(C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699681	1	47	0.0	-68.26	381.87	6.06	-62.20
O=C(C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699681	1	47	0.0	-69.60	377.22	5.84	-63.76
C[N@@H+]1CCCC(O)(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699763	0	44	0.0	-68.13	329.25	1.43	-66.70
C[N@H+]1CCCC(O)(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699763	1	44	0.0	-68.90	319.56	1.27	-67.63
C[N@@H+]1CCCC(O)(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699763	1	44	0.0	-68.16	329.31	1.46	-66.70
C[N@H+]1CCCC(O)(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699763	1	44	0.0	-68.85	319.62	1.28	-67.57
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699919	1	51	0.0	-63.04	400.07	2.83	-60.21
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699919	1	51	0.0	-63.21	400.15	2.78	-60.43
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL300019699920	1	48	0.0	-63.59	376.45	0.65	-62.94
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL300019699920	1	48	0.0	-58.95	377.56	0.57	-58.38
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL300019699921	0	55	0.0	-69.03	421.00	2.49	-66.54
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL300019699921	1	55	0.0	-69.03	420.94	2.48	-66.55
C[NH+](C)CCSC1=NC(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)=CS1	REAL300019700060	0	46	0.0	-79.61	391.20	3.63	-75.98
C[NH+](C)CCSC1=NC(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)=CS1	REAL300019700060	1	46	0.0	-79.61	391.26	3.66	-75.95
C[NH+](C)C1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)COC2=CC=CC=C2C1	REAL300019700063	1	48	0.0	-67.88	345.05	4.10	-63.78
C[NH+](C)CCC1=CC=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019700175	0	46	0.0	-71.97	362.57	4.99	-66.98
C[NH+](C)CCC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019700175	1	46	0.0	-71.95	362.63	5.02	-66.93
C[NH+](C)CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL300019700195	1	40	0.0	-75.23	323.53	2.89	-72.34
CC(C)[N@@H+]1CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019700196	0	46	0.0	-66.37	340.07	3.66	-62.71
CC(C)[N@H+]1CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019700196	1	46	0.0	-51.32	339.47	3.66	-47.66
CC(C)[N@@H+]1CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019700196	1	46	0.0	-66.41	340.13	3.69	-62.72
CC(C)[N@H+]1CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019700196	1	46	0.0	-51.30	339.53	3.68	-47.62
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700197	1	44	0.0	-53.47	348.53	3.88	-49.59
CCC[N@@H+]1CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019700199	0	46	0.0	-65.54	335.87	3.78	-61.76
CCC[N@H+]1CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019700199	1	46	0.0	-68.32	345.08	3.92	-64.40
CCC[N@@H+]1CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019700199	1	46	0.0	-65.56	335.93	3.80	-61.76
CCC[N@H+]1CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019700199	1	46	0.0	-68.37	345.14	3.94	-64.43
C[N@@H+]1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C(F)(F)F)C1	REAL300019700200	0	40	0.0	-76.67	322.29	2.51	-74.16
C[N@H+]1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C(F)(F)F)C1	REAL300019700200	1	40	0.0	-80.67	309.59	2.99	-77.68
C[N@@H+]1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C(F)(F)F)C1	REAL300019700200	1	40	0.0	-76.67	322.35	2.52	-74.15
C[N@H+]1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C(F)(F)F)C1	REAL300019700200	1	40	0.0	-80.70	309.65	3.01	-77.69
C[NH+](C)CCOC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019702435	0	47	0.0	-75.42	369.87	3.92	-71.50
C[NH+](C)CCOC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019702435	1	47	0.0	-75.41	369.93	3.95	-71.46
COC(=O)CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019702481	0	49	0.0	-54.46	363.47	3.73	-50.73
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019702632	0	53	0.0	-71.02	401.52	6.97	-64.05
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019702632	1	53	0.0	-71.02	401.57	7.00	-64.02
CC1C[N@H+](CC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300019702633	1	51	0.0	-80.54	393.31	4.36	-76.18
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300019702633	1	51	0.0	-79.29	393.26	4.36	-74.93
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019702721	0	46	0.0	-54.68	330.53	3.42	-51.26
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019702721	1	46	0.0	-54.70	330.59	3.45	-51.25
CC(C)C[N@@H+]1CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019702808	0	49	0.0	-63.79	354.39	4.81	-58.98
CC(C)C[N@H+]1CCCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019702808	1	49	0.0	-67.33	362.41	4.63	-62.70
CC(C)C[N@@H+]1CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019702808	1	49	0.0	-63.79	354.39	4.81	-58.98
CC(C)C[N@H+]1CCCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019702808	1	49	0.0	-67.33	362.41	4.63	-62.70
CC[N@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL300019702816	0	46	0.0	-72.49	346.69	6.18	-66.31
CC[N@@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL300019702816	1	46	0.0	-72.38	345.68	6.27	-66.11
CC[N@H+](CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL300019702816	1	46	0.0	-72.49	346.69	6.18	-66.31
CC[N@@H+](CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL300019702816	1	46	0.0	-72.38	345.68	6.27	-66.11
CC[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL300019702817	0	43	0.0	-56.46	336.43	3.17	-53.29
CC[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL300019702817	1	43	0.0	-56.64	335.86	3.11	-53.53
CC[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL300019702817	1	43	0.0	-56.46	336.43	3.17	-53.29
CC[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL300019702817	1	43	0.0	-56.64	335.86	3.11	-53.53
CC(C)[N@H+](C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019702818	0	43	0.0	-72.44	336.02	5.87	-66.57
CC(C)[N@@H+](C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019702818	1	43	0.0	-72.68	336.37	5.85	-66.83
CC(C)[N@H+](C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019702818	1	43	0.0	-72.44	336.02	5.87	-66.57
CC(C)[N@@H+](C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019702818	1	43	0.0	-72.68	336.37	5.85	-66.83
COC(=O)C1CC[NH+](CCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019702828	0	50	0.0	-79.57	394.95	5.06	-74.51
COC(=O)C1CC[NH+](CCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019702828	1	50	0.0	-79.62	395.00	5.08	-74.54
COC(=O)C1CC[NH+](CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702829	0	53	0.0	-85.64	418.85	7.94	-77.70
COC(=O)C1CC[NH+](CCCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019702829	1	53	0.0	-85.34	419.33	7.92	-77.42
COC(=O)C1CC[NH+](CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702830	0	50	0.0	-69.03	405.54	4.84	-64.19
COC(=O)C1CC[NH+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702830	1	50	0.0	-69.06	405.61	4.87	-64.19
CCN(CC)C(=O)CN1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019702847	0	54	0.0	-66.44	405.43	6.90	-59.54
CCN(CC)C(=O)CN1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019702847	1	54	0.0	-66.49	405.38	6.90	-59.59
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019702847	1	54	0.0	-66.44	405.43	6.90	-59.54
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019702847	1	54	0.0	-66.49	405.38	6.90	-59.59
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2CCCO2)CC1	REAL300019702852	0	49	0.0	-67.09	373.97	4.06	-63.03
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2CCCO2)CC1	REAL300019702852	1	49	0.0	-67.12	374.03	4.07	-63.05
O=C(NC1CC[NH+](CC2CCCO2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019702853	0	52	0.0	-71.85	398.49	6.97	-64.88
O=C(NC1CC[NH+](CC2CCCO2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019702854	0	49	0.0	-58.95	384.56	3.88	-55.07
O=C(NC1CC[NH+](CC2CCCO2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019702854	1	49	0.0	-58.94	384.63	3.89	-55.05
CN1CCN(C(=O)CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019702855	0	45	0.0	-87.75	356.86	2.60	-85.15
CN1CCN(C(=O)CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019702855	1	45	0.0	-87.72	356.92	2.62	-85.10
C[NH+]1CCN(C(=O)CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019702855	1	45	0.0	-87.75	356.86	2.60	-85.15
C[NH+]1CCN(C(=O)CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019702855	1	45	0.0	-87.72	356.92	2.62	-85.10
CN1CCN(C(=O)CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019702856	0	48	0.0	-95.07	381.21	5.52	-89.55
C[NH+]1CCN(C(=O)CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702856	1	48	0.0	-95.07	381.21	5.52	-89.55
CN1CCN(C(=O)CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702857	0	45	0.0	-71.59	367.52	2.41	-69.18
C[NH+]1CCN(C(=O)CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702857	1	45	0.0	-71.59	367.52	2.41	-69.18
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	REAL300019702858	0	58	0.0	-84.14	441.33	5.86	-78.28
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	REAL300019702858	1	58	0.0	-84.16	441.38	5.88	-78.28
CC[NH+]1CCN(C(C)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019702859	0	49	0.0	-69.02	366.89	2.90	-66.12
CC[NH+]1CCN(C(C)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019702859	1	49	0.0	-69.05	366.95	2.92	-66.13
CC[NH+]1CCN(C(C)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702860	0	52	0.0	-75.77	391.69	6.04	-69.73
CC[NH+]1CCN(C(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702861	0	49	0.0	-55.90	376.93	2.43	-53.47
CC[NH+]1CCN(C(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702861	1	49	0.0	-55.88	377.00	2.44	-53.44
CC[NH+]1CCN(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702862	0	49	0.0	-73.78	376.53	4.64	-69.14
CC[NH+]1CCN(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702863	0	46	0.0	-58.83	363.46	1.63	-57.20
CC[NH+]1CCN(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702863	1	46	0.0	-58.82	363.52	1.63	-57.19
CCCC[N@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019702864	0	53	0.0	-74.99	393.01	7.80	-67.19
CCCC[N@@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019702864	1	53	0.0	-76.80	392.98	7.79	-69.01
CCCC[N@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019702864	1	53	0.0	-74.99	393.01	7.80	-67.19
CCCC[N@@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019702864	1	53	0.0	-76.80	392.98	7.79	-69.01
CCCC[N@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702865	0	56	0.0	-78.78	416.32	10.31	-68.47
CCCC[N@@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702865	1	56	0.0	-77.12	416.32	10.31	-66.81
CCCC[N@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019702865	1	56	0.0	-78.78	416.32	10.31	-68.47
CCCC[N@@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019702865	1	56	0.0	-77.12	416.32	10.31	-66.81
CCCC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702866	0	53	0.0	-61.24	400.47	8.06	-53.18
CCCC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702866	1	53	0.0	-62.37	401.16	7.95	-54.42
CCCC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702866	1	53	0.0	-61.24	400.47	8.06	-53.18
CCCC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702866	1	53	0.0	-62.37	401.16	7.95	-54.42
C[NH+](C)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702867	0	47	0.0	-82.26	356.04	8.04	-74.22
C[NH+](C)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019702867	1	47	0.0	-82.09	356.18	8.05	-74.04
C[NH+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702868	0	44	0.0	-61.25	340.24	5.78	-55.47
C[NH+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702868	1	44	0.0	-61.25	340.31	5.78	-55.47
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019702870	0	60	0.0	-83.49	451.06	6.06	-77.43
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019702870	1	60	0.0	-83.47	451.12	6.07	-77.40
C[NH+](C)CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019702875	0	48	0.0	-72.35	367.94	5.04	-67.31
C[NH+](C)CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019702875	1	48	0.0	-72.35	368.00	5.05	-67.30
C[NH+](C)CCOC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702876	0	51	0.0	-58.78	392.74	7.60	-51.18
C[NH+](C)CCOC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702877	0	48	0.0	-57.17	376.04	5.25	-51.92
C[NH+](C)CCOC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702877	1	48	0.0	-57.13	376.11	5.25	-51.88
CN1CCN(C(=O)N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019702905	0	51	0.0	-66.23	385.95	4.87	-61.36
C[NH+]1CCN(C(=O)N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019702905	1	51	0.0	-66.23	385.95	4.87	-61.36
CC[N@@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702937	0	44	0.0	-82.99	325.20	7.68	-75.31
CC[N@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702937	1	44	0.0	-66.89	329.67	7.87	-59.02
CC[N@@H+]1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019702937	1	44	0.0	-82.99	325.20	7.68	-75.31
CC[N@H+]1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019702937	1	44	0.0	-66.89	329.67	7.87	-59.02
CC[N@@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702938	0	41	0.0	-55.34	312.35	6.02	-49.32
CC[N@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702938	1	41	0.0	-54.78	313.27	5.86	-48.92
CC[N@@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702938	1	41	0.0	-55.34	312.35	6.02	-49.32
CC[N@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702938	1	41	0.0	-54.78	313.27	5.86	-48.92
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702944	0	50	0.0	-72.10	363.67	8.00	-64.10
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702944	1	50	0.0	-70.65	365.26	8.01	-62.64
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019702944	1	50	0.0	-72.10	363.67	8.00	-64.10
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019702944	1	50	0.0	-70.65	365.26	8.01	-62.64
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702945	0	47	0.0	-57.15	348.73	5.82	-51.33
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702945	1	47	0.0	-56.86	348.78	5.82	-51.04
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702945	1	47	0.0	-57.15	348.73	5.82	-51.33
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702945	1	47	0.0	-56.86	348.78	5.82	-51.04
CC[NH+](CC)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702969	0	50	0.0	-74.72	363.88	8.15	-66.57
CC[NH+](CC)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019702969	1	50	0.0	-74.57	364.07	8.14	-66.43
CC[NH+](CC)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702970	0	47	0.0	-57.44	349.78	5.82	-51.62
CC[NH+](CC)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702970	1	47	0.0	-57.44	349.84	5.82	-51.62
C[NH+](C)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702971	0	44	0.0	-77.74	333.35	7.22	-70.52
C[NH+](C)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019702971	1	44	0.0	-74.33	333.35	7.17	-67.16
C[NH+](C)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702972	0	41	0.0	-59.68	317.69	4.89	-54.79
C[NH+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702972	1	41	0.0	-59.66	317.75	4.89	-54.77
C=C(C)C[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702986	0	48	0.0	-74.66	376.00	7.72	-66.94
C=C(C)C[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702987	0	45	0.0	-59.92	362.19	4.61	-55.31
C=C(C)C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702987	1	45	0.0	-59.93	362.26	4.61	-55.32
C=CC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019702991	0	45	0.0	-75.32	356.37	7.12	-68.20
C=CC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019702992	0	42	0.0	-60.26	342.66	4.02	-56.24
C=CC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019702992	1	42	0.0	-60.26	342.59	4.02	-56.24
CCCC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019703013	0	50	0.0	-75.77	384.82	8.07	-67.70
CCCC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019703013	1	50	0.0	-75.52	384.92	8.09	-67.43
CCCC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019703014	0	47	0.0	-60.93	371.04	4.97	-55.96
CCCC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019703014	1	47	0.0	-60.92	371.11	4.97	-55.95
C[NH+](C)C1CCN(C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019703045	0	55	0.0	-70.30	396.85	3.62	-66.68
C[NH+](C)C1CCN(C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019703045	1	55	0.0	-70.31	396.90	3.63	-66.68
C[NH+](C)C1CCN(C(C)(C)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019703046	0	58	0.0	-76.24	421.17	6.54	-69.70
C[NH+](C)C1CCN(C(C)(C)CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019703046	1	58	0.0	-76.05	421.27	6.54	-69.51
C[NH+](C)C1CCN(C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019703047	0	55	0.0	-56.03	408.03	3.63	-52.40
C[NH+](C)C1CCN(C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019703047	1	55	0.0	-56.06	408.10	3.63	-52.43
O=C(CCCC1=N[N-]N=N1)N(CC[NH+]1CCCC1)CC1=CC=C(Cl)C=C1	REAL300019703050	0	51	0.0	-80.76	416.89	9.49	-71.27
O=C(CCCC1=NN=N[N-]1)N(CC[NH+]1CCCC1)CC1=CC=C(Cl)C=C1	REAL300019703050	1	51	0.0	-80.79	416.95	9.51	-71.28
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019703064	0	51	0.0	-69.64	380.63	8.06	-61.58
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019703064	1	51	0.0	-69.63	380.49	8.03	-61.60
CC1(C)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCN1CC1=CC=CC=C1	REAL300019703065	0	54	0.0	-70.27	402.44	10.59	-59.68
CC1(C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300019703065	1	54	0.0	-70.27	402.44	10.59	-59.68
CC1(C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCN1CC1=CC=CC=C1	REAL300019703066	0	51	0.0	-55.22	388.21	8.28	-46.94
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCN1CC1=CC=CC=C1	REAL300019703066	1	51	0.0	-55.56	388.15	8.30	-47.26
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019703066	1	51	0.0	-55.22	388.21	8.28	-46.94
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019703066	1	51	0.0	-55.56	388.15	8.30	-47.26
CN(CC1CC[NH+](C)CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703091	0	47	0.0	-61.02	355.04	8.11	-52.91
CN(CC1CC[NH+](C)CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703091	1	47	0.0	-60.85	355.14	8.14	-52.71
CN(CC1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703092	0	44	0.0	-57.29	341.62	5.97	-51.32
CN(CC1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703092	1	44	0.0	-57.23	341.69	5.98	-51.25
C[N@H+](CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)CC1=CC=CC=C1	REAL300019703114	0	56	0.0	-78.03	425.69	6.79	-71.24
C[N@@H+](CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)CC1=CC=CC=C1	REAL300019703114	1	56	0.0	-77.91	425.73	6.78	-71.13
C[N@H+](CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)CC1=CC=CC=C1	REAL300019703114	1	56	0.0	-78.03	425.69	6.79	-71.24
C[N@@H+](CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)CC1=CC=CC=C1	REAL300019703114	1	56	0.0	-77.91	425.73	6.78	-71.13
CC[NH+](CC)CCN(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL300019703125	0	50	0.0	-61.75	382.41	5.35	-56.40
CC[NH+](CC)CCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL300019703125	1	50	0.0	-61.73	382.47	5.37	-56.36
CC[NH+](CC)CCN(CCOC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703126	0	53	0.0	-59.29	396.90	7.64	-51.65
CC[NH+](CC)CCN(CCOC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703126	1	53	0.0	-59.09	396.99	7.65	-51.44
CC[NH+](CC)CCN(CCOC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703127	0	50	0.0	-55.43	385.93	5.72	-49.71
CC[NH+](CC)CCN(CCOC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703127	1	50	0.0	-55.39	386.00	5.72	-49.67
CCCCN(C(=O)CCCC1=N[N-]N=N1)C1CC(C)(C)[NH2+]C(C)(C)C1	REAL300019703141	0	59	0.0	-60.38	425.01	7.36	-53.02
CCCCN(C(=O)CCCC1=NN=N[N-]1)C1CC(C)(C)[NH2+]C(C)(C)C1	REAL300019703141	1	59	0.0	-60.38	425.08	7.38	-53.00
CCCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC(C)(C)[NH2+]C(C)(C)C1	REAL300019703142	0	59	0.0	-57.29	431.23	8.07	-49.22
CCCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC(C)(C)[NH2+]C(C)(C)C1	REAL300019703142	1	59	0.0	-57.33	431.30	8.07	-49.26
CC[NH+](CC)CC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019703159	0	51	0.0	-78.11	384.16	5.34	-72.77
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019703160	0	54	0.0	-78.20	408.50	7.83	-70.37
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019703161	0	51	0.0	-59.29	387.07	5.23	-54.06
O=C(CCCC1=N[N-]N=N1)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300019703193	0	51	0.0	-73.35	410.24	7.82	-65.53
O=C(CCCC1=NN=N[N-]1)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300019703193	1	51	0.0	-73.36	410.30	7.84	-65.52
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019710746	0	47	0.0	-64.73	357.83	2.91	-61.82
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019710746	1	47	0.0	-64.15	367.34	3.13	-61.02
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019710746	1	47	0.0	-64.73	357.88	2.93	-61.80
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019710746	1	47	0.0	-64.18	367.39	3.14	-61.04
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019710882	1	51	0.0	-62.70	415.81	2.11	-60.59
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019710882	1	51	0.0	-65.56	416.47	2.11	-63.45
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710887	1	43	0.0	-66.76	329.73	4.26	-62.50
C[N@H+]1CCCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710887	1	43	0.0	-66.97	329.22	4.29	-62.68
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019711112	0	49	0.0	-71.40	397.90	7.16	-64.24
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019711112	1	49	0.0	-71.43	397.96	7.18	-64.25
O=C(CC[N@H+]1CCC(F)C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019711128	0	43	0.0	-74.12	351.43	4.66	-69.46
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019711128	1	43	0.0	-74.20	351.16	4.67	-69.53
O=C(CC[N@H+]1CCC(F)C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711128	1	43	0.0	-74.11	351.49	4.67	-69.44
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711128	1	43	0.0	-74.20	351.22	4.69	-69.51
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019711136	1	43	0.0	-76.30	361.58	4.68	-71.62
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019711137	0	49	0.0	-66.97	375.66	5.64	-61.33
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019711137	1	49	0.0	-61.57	369.65	5.82	-55.75
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019711137	1	49	0.0	-66.90	375.72	5.65	-61.25
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019711137	1	49	0.0	-61.60	369.71	5.83	-55.77
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300019711138	1	47	0.0	-74.88	386.95	5.79	-69.09
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019711140	0	49	0.0	-68.54	380.50	5.87	-62.67
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019711140	1	49	0.0	-62.53	374.51	6.05	-56.48
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019711140	1	49	0.0	-68.58	380.55	5.88	-62.70
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019711140	1	49	0.0	-62.53	374.56	6.06	-56.47
C[N@@H+]1CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C(F)(F)F)C1	REAL300019711141	0	43	0.0	-79.85	351.37	4.90	-74.95
C[N@H+]1CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(C(F)(F)F)C1	REAL300019711141	1	43	0.0	-77.12	350.39	4.60	-72.52
C[N@@H+]1CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C(F)(F)F)C1	REAL300019711141	1	43	0.0	-79.83	351.42	4.91	-74.92
C[N@H+]1CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(C(F)(F)F)C1	REAL300019711141	1	43	0.0	-77.11	350.45	4.61	-72.50
CC(CC[NH+](C)C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019711142	0	45	0.0	-70.06	357.05	4.71	-65.35
CC(CC[NH+](C)C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711142	1	45	0.0	-70.08	357.11	4.73	-65.35
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019713111	0	50	0.0	-76.58	405.18	6.12	-70.46
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019713111	1	50	0.0	-76.60	405.24	6.13	-70.47
COC(=O)CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+]1CCCCC1	REAL300019713150	1	52	0.0	-73.71	402.94	6.64	-67.07
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([NH+]2CCCCC2)C1	REAL300019713461	0	48	0.0	-65.09	359.96	8.22	-56.87
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC([NH+]2CCCCC2)C1	REAL300019713461	1	48	0.0	-64.95	360.06	8.23	-56.72
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH+]2CCCCC2)C1	REAL300019713462	0	45	0.0	-59.63	348.69	6.00	-53.63
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([NH+]2CCCCC2)C1	REAL300019713462	1	45	0.0	-59.64	348.62	6.00	-53.64
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019713463	1	48	0.0	-73.81	366.84	7.58	-66.23
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019713463	1	48	0.0	-73.50	368.70	7.80	-65.70
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019713463	1	48	0.0	-73.78	366.90	7.59	-66.19
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019713463	1	48	0.0	-73.48	368.76	7.81	-65.67
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019713464	1	51	0.0	-77.28	388.85	10.10	-67.18
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019713464	1	51	0.0	-64.35	391.06	10.30	-54.05
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019713465	1	48	0.0	-60.59	374.46	7.90	-52.69
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019713465	1	48	0.0	-59.81	376.25	8.06	-51.75
O=C(NC1=NN(C2=CC=[NH+]C=C2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019713489	1	39	0.0	-77.71	333.89	7.13	-70.58
O=C(NC1=NN(C2=CC=[NH+]C=C2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019713490	1	36	0.0	-65.65	320.22	4.01	-61.64
COCC[N@@H+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019713498	0	45	0.0	-77.09	356.24	5.33	-71.76
COCC[N@H+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019713498	1	45	0.0	-74.98	357.99	4.96	-70.02
COCC[N@@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019713499	0	42	0.0	-58.90	342.55	2.20	-56.70
COCC[N@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019713499	1	42	0.0	-59.58	345.14	1.95	-57.63
O=C(CCCC1=N[N-]N=N1)N1CCCC([NH+]2CCCCC2)C1	REAL300019713500	0	48	0.0	-64.47	351.87	6.47	-58.00
O=C(CCCC1=NN=N[N-]1)N1CCCC([NH+]2CCCCC2)C1	REAL300019713500	1	48	0.0	-64.49	351.92	6.48	-58.01
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC([NH+]2CCCCC2)C1	REAL300019713501	0	51	0.0	-59.15	375.37	8.98	-50.17
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC([NH+]2CCCCC2)C1	REAL300019713501	1	51	0.0	-58.98	375.42	8.99	-49.99
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC([NH+]2CCCCC2)C1	REAL300019713502	0	48	0.0	-55.76	359.55	6.71	-49.05
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC([NH+]2CCCCC2)C1	REAL300019713502	1	48	0.0	-55.84	359.48	6.70	-49.14
COC1CC[NH+](C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019713503	0	51	0.0	-68.36	376.01	3.75	-64.61
COC1CC[NH+](C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019713503	1	51	0.0	-68.40	376.06	3.76	-64.64
COC1CC[NH+](C(C)(C)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019713504	0	54	0.0	-74.04	400.30	6.63	-67.41
COC1CC[NH+](C(C)(C)CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019713504	1	54	0.0	-73.87	400.40	6.64	-67.23
COC1CC[NH+](C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019713505	0	51	0.0	-56.24	386.65	3.54	-52.70
COC1CC[NH+](C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019713505	1	51	0.0	-56.34	386.59	3.54	-52.80
COC1CC[NH+](C2(CNC(=O)CCCC3=N[N-]N=N3)CCCC2)CC1	REAL300019713506	0	55	0.0	-68.75	401.12	5.01	-63.74
COC1CC[NH+](C2(CNC(=O)CCCC3=NN=N[N-]3)CCCC2)CC1	REAL300019713506	1	55	0.0	-68.81	401.18	5.02	-63.79
COC1CC[NH+](C2(CNC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CCCC2)CC1	REAL300019713507	0	58	0.0	-73.25	421.84	7.67	-65.58
COC1CC[NH+](C2(CNC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CCCC2)CC1	REAL300019713507	1	58	0.0	-73.08	421.94	7.69	-65.39
COC1CC[NH+](C2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCCC2)CC1	REAL300019713508	0	55	0.0	-55.67	408.10	4.55	-51.12
COC1CC[NH+](C2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCCC2)CC1	REAL300019713508	1	55	0.0	-55.69	408.04	4.55	-51.14
CN(C(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1)C1CCC[N@H+](C)C1	REAL300019713509	0	55	0.0	-73.21	408.98	6.42	-66.79
CN(C(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1)C1CCC[N@@H+](C)C1	REAL300019713509	1	55	0.0	-66.35	412.22	6.50	-59.85
CN(C(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1)C1CCC[N@H+](C)C1	REAL300019713509	1	55	0.0	-73.15	409.04	6.43	-66.72
CN(C(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1)C1CCC[N@@H+](C)C1	REAL300019713509	1	55	0.0	-66.43	412.27	6.52	-59.91
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+](C)C1	REAL300019713534	0	44	0.0	-82.41	317.42	7.63	-74.78
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+](C)C1	REAL300019713534	1	44	0.0	-75.47	324.70	7.24	-68.23
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[N@H+](C)C1	REAL300019713534	1	44	0.0	-81.83	317.23	7.62	-74.21
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[N@@H+](C)C1	REAL300019713534	1	44	0.0	-75.32	324.79	7.25	-68.07
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+](C)C1	REAL300019713535	0	41	0.0	-56.56	316.21	5.66	-50.90
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+](C)C1	REAL300019713535	1	41	0.0	-58.63	313.27	5.31	-53.32
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+](C)C1	REAL300019713535	1	41	0.0	-56.53	316.15	5.66	-50.87
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+](C)C1	REAL300019713535	1	41	0.0	-58.69	313.20	5.31	-53.38
O=C(CCCC1=N[N-]N=N1)N1CCC(C[NH+]2CCCCC2)C1	REAL300019713542	0	48	0.0	-73.92	362.12	6.66	-67.26
O=C(CCCC1=NN=N[N-]1)N1CCC(C[NH+]2CCCCC2)C1	REAL300019713542	1	48	0.0	-73.92	362.18	6.67	-67.25
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C[NH+]2CCCCC2)C1	REAL300019713543	0	51	0.0	-77.80	380.20	9.00	-68.80
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(C[NH+]2CCCCC2)C1	REAL300019713543	1	51	0.0	-77.05	380.84	9.03	-68.02
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C[NH+]2CCCCC2)C1	REAL300019713544	0	48	0.0	-62.24	368.98	6.79	-55.45
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C[NH+]2CCCCC2)C1	REAL300019713544	1	48	0.0	-62.19	369.05	6.79	-55.40
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2=CC=CN=C2)CC1	REAL300019713586	0	47	0.0	-74.28	371.70	4.73	-69.55
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2=CC=CN=C2)CC1	REAL300019713586	1	47	0.0	-74.26	371.64	4.71	-69.55
O=C(NC1CC[NH+](CC2=CC=CN=C2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019713587	0	50	0.0	-83.16	395.96	7.65	-75.51
O=C(NC1CC[NH+](CC2=CC=CN=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019713588	1	47	0.0	-68.01	381.98	4.47	-63.54
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300019713606	0	48	0.0	-69.55	373.54	6.55	-63.00
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300019713606	1	48	0.0	-69.27	380.84	6.52	-62.75
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300019713606	1	48	0.0	-69.57	373.60	6.56	-63.01
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300019713606	1	48	0.0	-69.33	380.89	6.54	-62.79
O=C(NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019713607	0	51	0.0	-75.84	399.60	9.78	-66.06
O=C(NCC1CCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019713607	1	51	0.0	-72.39	397.59	8.98	-63.41
O=C(NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019713608	0	48	0.0	-58.19	383.68	5.85	-52.34
O=C(NCC1CCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019713608	1	48	0.0	-58.36	383.90	5.86	-52.50
O=C(NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019713608	1	48	0.0	-58.16	383.61	5.84	-52.32
O=C(NCC1CCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019713608	1	48	0.0	-58.41	383.84	5.85	-52.56
C[N@@H+]1CC2CN(C(=O)CCCC3=N[N-]N=N3)CC2C1C1=CC=CC=C1	REAL300019713615	0	49	0.0	-75.39	380.20	7.90	-67.49
C[N@H+]1CC2CN(C(=O)CCCC3=N[N-]N=N3)CC2C1C1=CC=CC=C1	REAL300019713615	1	49	0.0	-77.07	379.24	7.90	-69.17
C[N@@H+]1CC2CN(C(=O)CCCC3=NN=N[N-]3)CC2C1C1=CC=CC=C1	REAL300019713615	1	49	0.0	-75.41	380.26	7.91	-67.50
C[N@H+]1CC2CN(C(=O)CCCC3=NN=N[N-]3)CC2C1C1=CC=CC=C1	REAL300019713615	1	49	0.0	-77.10	379.30	7.91	-69.19
C[N@@H+]1CC2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2C1C1=CC=CC=C1	REAL300019713616	0	52	0.0	-82.76	378.55	9.19	-73.57
C[N@H+]1CC2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2C1C1=CC=CC=C1	REAL300019713616	1	52	0.0	-66.23	396.44	10.05	-56.18
C[N@@H+]1CC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2C1C1=CC=CC=C1	REAL300019713617	0	49	0.0	-61.40	387.25	8.05	-53.35
C[N@H+]1CC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2C1C1=CC=CC=C1	REAL300019713617	1	49	0.0	-63.55	380.34	7.75	-55.80
C[N@@H+]1CC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2C1C1=CC=CC=C1	REAL300019713617	1	49	0.0	-61.36	387.32	8.07	-53.29
C[N@H+]1CC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2C1C1=CC=CC=C1	REAL300019713617	1	49	0.0	-63.55	380.41	7.77	-55.78
C[NH+](C)CCNC(=O)CN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL300019713624	0	48	0.0	-91.13	393.70	1.82	-89.31
C[NH+](C)CCNC(=O)CN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL300019713624	1	48	0.0	-91.14	393.64	1.81	-89.33
C[NH+](C)CCNC(=O)CN1C=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=N1	REAL300019713625	0	51	0.0	-97.65	417.97	4.71	-92.94
C[NH+](C)CCNC(=O)CN1C=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=N1	REAL300019713625	1	51	0.0	-97.46	418.07	4.73	-92.73
C[NH+](C)CCNC(=O)CN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300019713626	0	48	0.0	-77.68	404.25	1.63	-76.05
C[NH+](C)CCNC(=O)CN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300019713626	1	48	0.0	-77.75	404.19	1.62	-76.13
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019713676	1	48	0.0	-73.52	368.66	7.80	-65.72
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019713676	1	48	0.0	-73.50	368.67	7.80	-65.70
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019713676	1	48	0.0	-73.51	368.71	7.81	-65.70
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019713676	1	48	0.0	-73.51	368.73	7.82	-65.69
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019713677	1	51	0.0	-72.88	390.62	10.33	-62.55
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019713677	1	51	0.0	-64.31	391.02	10.31	-54.00
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019713678	1	48	0.0	-60.58	374.44	7.90	-52.68
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019713678	1	48	0.0	-60.70	374.55	7.91	-52.79
CC(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL300019719071	0	58	0.0	-64.37	440.82	8.71	-55.66
CC(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL300019719071	1	58	0.0	-61.24	440.87	8.69	-52.55
CC(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL300019719071	1	58	0.0	-64.32	440.76	8.69	-55.63
CC(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL300019719071	1	58	0.0	-61.27	440.81	8.67	-52.60
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019719086	1	43	0.0	-51.48	341.06	3.68	-47.80
CC(C)CC(NC(=O)CC1(O)CCC[N@H+](C)C1)C1=N[N-]N=N1	REAL300019719151	0	48	0.0	-57.13	361.91	2.99	-54.14
CC(C)CC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C1=N[N-]N=N1	REAL300019719151	1	48	0.0	-51.10	352.30	2.73	-48.37
CC(C)CC(NC(=O)CC1(O)CCC[N@H+](C)C1)C1=NN=N[N-]1	REAL300019719151	1	48	0.0	-57.15	361.96	3.01	-54.14
CC(C)CC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C1=NN=N[N-]1	REAL300019719151	1	48	0.0	-51.10	352.36	2.74	-48.36
CC(C)CC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019721268	0	51	0.0	-74.36	399.64	5.87	-68.49
CC(C)CC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019721268	1	51	0.0	-74.35	399.70	5.89	-68.46
COC(=O)CC(C(=O)NC(CC(C)C)C1=NN=N[N-]1)[NH+]1CCCCC1	REAL300019721308	1	53	0.0	-46.63	395.45	5.63	-41.00
CC(C)CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019721439	0	57	0.0	-58.76	431.40	8.52	-50.24
CC(C)CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019721439	1	57	0.0	-58.77	431.46	8.53	-50.24
CC(C)CC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019721440	1	55	0.0	-74.63	417.25	6.29	-68.34
CC(C)CC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019721440	1	55	0.0	-75.74	417.37	6.27	-69.47
CC(C)CC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=N[N-]N=N1	REAL300019721506	0	50	0.0	-47.83	363.99	5.27	-42.56
CC(C)CC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=NN=N[N-]1	REAL300019721506	1	50	0.0	-47.81	364.05	5.29	-42.52
CC(C)CC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL300019721569	0	53	0.0	-50.76	386.68	6.51	-44.25
CC(C)CC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL300019721569	1	53	0.0	-49.62	383.91	6.48	-43.14
CC(C)CC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL300019721569	1	53	0.0	-50.75	386.62	6.49	-44.26
CC(C)CC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL300019721569	1	53	0.0	-49.58	383.85	6.47	-43.11
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)(C)C[NH+](C)C	REAL300019721576	0	49	0.0	-77.58	360.59	7.50	-70.08
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)(C)C[NH+](C)C	REAL300019721576	1	49	0.0	-77.28	360.52	7.50	-69.78
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C[NH+](C)C	REAL300019721577	0	46	0.0	-62.17	345.60	4.29	-57.88
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C[NH+](C)C	REAL300019721577	1	46	0.0	-62.10	345.67	4.31	-57.79
CN(CC1CCC[N@H+](C)C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019721579	0	47	0.0	-72.25	353.98	8.12	-64.13
CN(CC1CCC[N@@H+](C)C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019721579	1	47	0.0	-56.27	347.93	7.68	-48.59
CN(CC1CCC[N@H+](C)C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019721579	1	47	0.0	-71.97	354.15	8.13	-63.84
CN(CC1CCC[N@@H+](C)C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019721579	1	47	0.0	-56.11	348.02	7.71	-48.40
CN(CC1CCC[N@H+](C)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019721580	0	44	0.0	-61.37	341.59	5.94	-55.43
CN(CC1CCC[N@@H+](C)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019721580	1	44	0.0	-61.60	341.28	5.97	-55.63
CN(CC1CCC[N@H+](C)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019721580	1	44	0.0	-61.41	341.66	5.95	-55.46
CN(CC1CCC[N@@H+](C)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019721580	1	44	0.0	-61.57	341.34	5.98	-55.59
CC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019721622	0	54	0.0	-60.21	379.86	8.70	-51.51
CC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019721622	1	54	0.0	-71.03	400.11	8.51	-62.52
CC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019721622	1	54	0.0	-60.21	379.92	8.72	-51.49
CC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300019721622	1	54	0.0	-71.06	400.17	8.53	-62.53
CC1CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019721623	0	54	0.0	-61.95	407.97	8.91	-53.04
CC1CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019721623	1	54	0.0	-60.81	414.68	9.22	-51.59
CC1CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019721623	1	54	0.0	-61.95	408.04	8.95	-53.00
CC1CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019721623	1	54	0.0	-60.79	414.74	9.25	-51.54
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300019721632	0	51	0.0	-67.90	379.08	8.24	-59.66
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300019721632	1	51	0.0	-67.96	379.14	8.26	-59.70
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300019721632	1	51	0.0	-67.92	379.14	8.25	-59.67
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300019721632	1	51	0.0	-67.97	379.19	8.28	-59.69
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019721633	0	54	0.0	-74.22	398.60	10.74	-63.48
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019721633	1	54	0.0	-74.69	401.60	11.29	-63.40
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019721634	0	51	0.0	-60.92	390.93	9.60	-51.32
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019721634	1	51	0.0	-58.28	386.34	8.57	-49.71
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019721634	1	51	0.0	-60.98	390.86	9.60	-51.38
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019721634	1	51	0.0	-58.35	386.28	8.56	-49.79
O=C(CCCC1=N[N-]N=N1)N1CCCC([NH+]2CCCC2)CC1	REAL300019721645	0	48	0.0	-66.48	351.01	6.72	-59.76
O=C(CCCC1=NN=N[N-]1)N1CCCC([NH+]2CCCC2)CC1	REAL300019721645	1	48	0.0	-66.48	351.07	6.74	-59.74
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC([NH+]2CCCC2)CC1	REAL300019721646	0	51	0.0	-81.79	368.09	9.13	-72.66
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC([NH+]2CCCC2)CC1	REAL300019721646	1	51	0.0	-82.64	368.23	9.11	-73.53
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC([NH+]2CCCC2)CC1	REAL300019721647	0	48	0.0	-54.21	355.91	7.40	-46.81
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC([NH+]2CCCC2)CC1	REAL300019721647	1	48	0.0	-54.18	355.99	7.41	-46.77
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019721660	1	51	0.0	-65.96	403.26	7.91	-58.05
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019721660	1	51	0.0	-69.64	409.20	7.38	-62.26
C[NH+]1CCN(C(=O)CN2C=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=N2)CC1	REAL300019721693	1	49	0.0	-81.86	402.68	4.29	-77.57
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2CCOC2)CC1	REAL300019721694	0	49	0.0	-73.66	372.77	3.72	-69.94
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2CCOC2)CC1	REAL300019721694	1	49	0.0	-73.68	372.83	3.73	-69.95
O=C(NC1CC[NH+](CC2CCOC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019721695	0	52	0.0	-79.92	396.98	6.60	-73.32
O=C(NC1CC[NH+](CC2CCOC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019721695	1	52	0.0	-79.72	397.08	6.62	-73.10
O=C(NC1CC[NH+](CC2CCOC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019721696	0	49	0.0	-65.83	383.19	3.50	-62.33
O=C(NC1CC[NH+](CC2CCOC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019721696	1	49	0.0	-65.82	383.26	3.50	-62.32
C[NH+](C)CCOC1=CC=CC=C1N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019721700	0	57	0.0	-75.83	432.72	6.51	-69.32
C[NH+](C)CCOC1=CC=CC=C1N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019721700	1	57	0.0	-75.84	432.77	6.52	-69.32
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CC2CCOCC2)CC1	REAL300019721756	0	49	0.0	-76.64	364.94	5.03	-71.61
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC2CCOCC2)CC1	REAL300019721756	1	49	0.0	-76.66	365.00	5.04	-71.62
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](CC2CCOCC2)CC1	REAL300019721757	0	52	0.0	-84.61	387.40	7.51	-77.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](CC2CCOCC2)CC1	REAL300019721758	0	49	0.0	-61.52	372.70	5.30	-56.22
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](CC2CCOCC2)CC1	REAL300019721758	1	49	0.0	-61.57	372.64	5.30	-56.27
C#CC[N@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019721781	1	43	0.0	-80.24	332.10	8.28	-71.96
C#CC[N@@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019721781	1	43	0.0	-80.48	332.28	8.23	-72.25
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019721783	0	45	0.0	-91.13	363.36	2.31	-88.82
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019721783	1	45	0.0	-91.21	363.40	2.32	-88.89
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019721784	0	48	0.0	-97.58	387.44	5.23	-92.35
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019721785	0	45	0.0	-70.37	374.03	2.11	-68.26
C[NH+](C)CC1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019721818	0	56	0.0	-74.86	421.77	6.57	-68.29
C[NH+](C)CC1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019721818	1	56	0.0	-74.84	421.83	6.59	-68.25
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1OCC[NH+]1CCCC1	REAL300019721820	0	52	0.0	-68.76	406.25	6.80	-61.96
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1OCC[NH+]1CCCC1	REAL300019721820	1	52	0.0	-68.78	406.31	6.82	-61.96
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1OCC[NH+]1CCCC1	REAL300019721821	0	52	0.0	-63.55	415.76	6.88	-56.67
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](C2CCOCC2)CC1	REAL300019721822	0	49	0.0	-68.92	356.64	5.30	-63.62
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](C2CCOCC2)CC1	REAL300019721822	1	49	0.0	-68.90	356.66	5.30	-63.60
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](C2CCOCC2)CC1	REAL300019721822	1	49	0.0	-68.92	356.70	5.31	-63.61
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](C2CCOCC2)CC1	REAL300019721822	1	49	0.0	-68.90	356.72	5.31	-63.59
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@@H+](C2CCOCC2)CC1	REAL300019721823	0	52	0.0	-67.54	379.36	7.80	-59.74
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@H+](C2CCOCC2)CC1	REAL300019721823	1	52	0.0	-84.31	371.83	7.49	-76.82
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[N@@H+](C2CCOCC2)CC1	REAL300019721823	1	52	0.0	-70.39	379.19	7.86	-62.53
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[N@H+](C2CCOCC2)CC1	REAL300019721823	1	52	0.0	-83.31	371.47	7.46	-75.85
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+](C2CCOCC2)CC1	REAL300019721824	0	49	0.0	-56.51	362.45	5.78	-50.73
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+](C2CCOCC2)CC1	REAL300019721824	1	49	0.0	-56.47	362.59	5.82	-50.65
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@@H+](C2CCOCC2)CC1	REAL300019721824	1	49	0.0	-56.52	362.39	5.78	-50.74
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@H+](C2CCOCC2)CC1	REAL300019721824	1	49	0.0	-56.48	362.52	5.81	-50.67
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1C[N@H+](C)CCN1C	REAL300019721883	0	49	0.0	-84.05	372.81	4.82	-79.23
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1C[N@@H+](C)CCN1C	REAL300019721883	1	49	0.0	-84.30	372.37	4.72	-79.58
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1C[N@H+](C)CCN1C	REAL300019721884	0	46	0.0	-58.93	357.36	1.99	-56.94
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1C[N@@H+](C)CCN1C	REAL300019721884	1	46	0.0	-58.93	357.00	1.99	-56.94
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1C[N@H+](C)CCN1C	REAL300019721884	1	46	0.0	-58.93	357.43	2.00	-56.93
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1C[N@@H+](C)CCN1C	REAL300019721884	1	46	0.0	-58.87	357.07	1.99	-56.88
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C[NH+]2CCCC2)C1	REAL300019721893	0	48	0.0	-77.96	365.51	8.23	-69.73
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(C[NH+]2CCCC2)C1	REAL300019721893	1	48	0.0	-76.82	365.65	8.25	-68.57
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C[NH+]2CCCC2)C1	REAL300019721894	0	45	0.0	-63.54	352.71	6.06	-57.48
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C[NH+]2CCCC2)C1	REAL300019721894	1	45	0.0	-63.48	352.78	6.07	-57.41
C[NH+](C)CCN1C=CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL300019721926	0	48	0.0	-65.61	386.91	7.31	-58.30
C[NH+](C)CCN1C=CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL300019721926	1	48	0.0	-65.61	386.97	7.33	-58.28
C[NH+](C)CCN1C=CC2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=C21	REAL300019721927	0	51	0.0	-91.21	411.63	10.19	-81.02
C[NH+](C)CCN1C=CC2=CC=C(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C=C21	REAL300019721927	1	51	0.0	-91.04	411.67	10.22	-80.82
C[NH+](C)CCN1C=CC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C21	REAL300019721928	0	48	0.0	-68.90	397.57	7.11	-61.79
C[NH+](C)CCN1C=CC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C21	REAL300019721928	1	48	0.0	-68.95	397.50	7.11	-61.84
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)CCCC1=N[N-]N=N1	REAL300019721956	1	52	0.0	-76.44	404.13	5.16	-71.28
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)CCCC1=NN=N[N-]1	REAL300019721956	1	52	0.0	-76.45	404.19	5.18	-71.27
O=C(CCCC1=N[N-]N=N1)N(CC[NH+]1CCCC1)C1=CC=CC=C1	REAL300019721978	0	48	0.0	-59.30	379.23	8.37	-50.93
O=C(CCCC1=NN=N[N-]1)N(CC[NH+]1CCCC1)C1=CC=CC=C1	REAL300019721978	1	48	0.0	-59.31	379.29	8.39	-50.92
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N(CC[NH+]1CCCC1)C1=CC=CC=C1	REAL300019721979	0	48	0.0	-51.23	375.10	8.74	-42.49
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N(CC[NH+]1CCCC1)C1=CC=CC=C1	REAL300019721979	1	48	0.0	-51.25	375.03	8.73	-42.52
CC[N@@H+]1CCC(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)C1	REAL300019722066	0	50	0.0	-84.20	360.36	8.18	-76.02
CC[N@H+]1CCC(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)C1	REAL300019722066	1	50	0.0	-76.79	354.64	8.37	-68.42
CC[N@@H+]1CCC(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C)C1	REAL300019722066	1	50	0.0	-80.14	359.83	8.29	-71.85
CC[N@H+]1CCC(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C)C1	REAL300019722066	1	50	0.0	-75.94	353.96	8.42	-67.52
CC[N@@H+]1CCC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1	REAL300019722067	0	47	0.0	-56.52	342.61	6.30	-50.22
CC[N@H+]1CCC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1	REAL300019722067	1	47	0.0	-61.73	358.99	6.79	-54.94
CC[N@@H+]1CCC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1	REAL300019722067	1	47	0.0	-56.45	342.68	6.31	-50.14
CC[N@H+]1CCC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1	REAL300019722067	1	47	0.0	-61.77	359.06	6.81	-54.96
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)CCCC1=N[N-]N=N1	REAL300019722102	0	53	0.0	-75.11	405.71	5.70	-69.41
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)CCCC1=NN=N[N-]1	REAL300019722102	1	53	0.0	-75.09	405.77	5.71	-69.38
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019722103	1	53	0.0	-61.96	417.03	5.56	-56.40
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019722103	1	53	0.0	-62.00	416.96	5.56	-56.44
CC1CC(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL300019722122	0	47	0.0	-77.60	344.72	7.49	-70.11
CC1CC(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL300019722122	1	47	0.0	-74.45	345.86	7.52	-66.93
CC1CC(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[N@@H+]1C	REAL300019722122	1	47	0.0	-77.40	344.77	7.50	-69.90
CC1CC(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[N@H+]1C	REAL300019722122	1	47	0.0	-64.22	345.91	7.54	-56.68
CC1CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1C	REAL300019722123	0	44	0.0	-61.58	331.18	5.36	-56.22
CC1CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1C	REAL300019722123	1	44	0.0	-60.97	330.83	5.28	-55.69
CC1CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1C	REAL300019722123	1	44	0.0	-61.58	331.25	5.40	-56.18
CC1CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1C	REAL300019722123	1	44	0.0	-60.98	330.90	5.30	-55.68
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+](CC2=CC=CC=C2)C2(CCCCC2)C1	REAL300019722134	0	58	0.0	-70.15	416.82	9.74	-60.41
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+](CC2=CC=CC=C2)C2(CCCCC2)C1	REAL300019722134	1	58	0.0	-71.99	415.08	9.59	-62.40
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+](CC2=CC=CC=C2)C2(CCCCC2)C1	REAL300019722134	1	58	0.0	-70.17	416.88	9.76	-60.41
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+](CC2=CC=CC=C2)C2(CCCCC2)C1	REAL300019722134	1	58	0.0	-72.02	415.13	9.60	-62.42
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=N[N-]N=N1	REAL300019722170	0	54	0.0	-69.82	413.40	9.29	-60.53
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=N[N-]N=N1	REAL300019722170	1	54	0.0	-67.07	412.78	9.39	-57.68
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=NN=N[N-]1	REAL300019722170	1	54	0.0	-69.88	413.46	9.31	-60.57
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=NN=N[N-]1	REAL300019722170	1	54	0.0	-67.02	412.84	9.40	-57.62
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019722171	0	54	0.0	-62.91	420.98	10.05	-52.86
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019722171	1	54	0.0	-63.32	421.07	10.07	-53.25
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019722171	1	54	0.0	-62.86	421.05	10.05	-52.81
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019722171	1	54	0.0	-63.27	421.14	10.09	-53.18
CN(CCCC[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019722196	0	43	0.0	-59.91	345.90	5.84	-54.07
CN(CCCC[NH+](C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019722196	1	43	0.0	-59.87	345.97	5.87	-54.00
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL300019725371	0	42	0.0	-71.53	342.42	9.29	-62.24
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL300019725371	1	42	0.0	-70.68	342.41	9.30	-61.38
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL300019725371	1	42	0.0	-71.44	342.51	9.28	-62.16
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL300019725371	1	42	0.0	-70.65	342.51	9.29	-61.36
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NC1=N[N-]N=N1	REAL300019725566	0	46	0.0	-63.19	360.44	9.29	-53.90
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NC1=N[N-]N=N1	REAL300019725566	1	46	0.0	-63.07	360.84	9.28	-53.79
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NC1=NN=N[N-]1	REAL300019725566	1	46	0.0	-63.31	360.35	9.30	-54.01
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NC1=NN=N[N-]1	REAL300019725566	1	46	0.0	-63.15	360.74	9.29	-53.86
C[NH+](C)CCN1N=CC(C(=O)NC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL300019725618	0	42	0.0	-70.53	345.04	7.04	-63.49
C[NH+](C)CCN1N=CC(C(=O)NC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL300019725618	1	42	0.0	-70.41	345.13	7.03	-63.38
O=C(NC1=NN=N[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300019725639	0	39	0.0	-66.30	317.06	7.62	-58.68
O=C(NC1=NN=N[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300019725639	1	39	0.0	-54.12	311.05	7.84	-46.28
O=C(NC1=N[N-]N=N1)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300019725639	1	39	0.0	-66.16	317.14	7.61	-58.55
O=C(NC1=N[N-]N=N1)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300019725639	1	39	0.0	-54.04	311.14	7.82	-46.22
O=C(NC1=NN=N[N-]1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300019725653	0	42	0.0	-54.55	325.05	8.47	-46.08
O=C(NC1=NN=N[N-]1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300019725653	1	42	0.0	-54.56	325.02	8.47	-46.09
O=C(NC1=N[N-]N=N1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300019725653	1	42	0.0	-54.45	325.14	8.46	-45.99
O=C(NC1=N[N-]N=N1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300019725653	1	42	0.0	-54.48	325.11	8.46	-46.02
CCN1CCC([NH+]2CCC(C(=O)NC3=NN=N[N-]3)CC2)CC1	REAL300019725655	0	47	0.0	-64.74	337.45	4.82	-59.92
CCN1CCC([NH+]2CCC(C(=O)NC3=N[N-]N=N3)CC2)CC1	REAL300019725655	1	47	0.0	-64.63	337.54	4.80	-59.83
O=C(NC1=NN=N[N-]1)C(F)C[NH+](CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300019725683	1	45	0.0	-61.68	349.92	9.20	-52.48
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C21	REAL300019725942	0	39	0.0	-63.29	325.13	4.93	-58.36
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C21	REAL300019725942	1	39	0.0	-63.17	325.23	4.92	-58.25
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019725958	0	45	0.0	-58.98	347.68	3.28	-55.70
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019725958	1	45	0.0	-59.05	347.59	3.30	-55.75
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CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=NN=N[N-]1	REAL300019726073	0	45	0.0	-65.70	354.74	8.83	-56.87
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=NN=N[N-]1	REAL300019726073	1	45	0.0	-66.96	354.32	8.73	-58.23
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=N[N-]N=N1	REAL300019726073	1	45	0.0	-65.58	354.83	8.81	-56.77
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=N[N-]N=N1	REAL300019726073	1	45	0.0	-66.91	354.41	8.72	-58.19
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CC1C[N@H+](CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CCO1	REAL300019727645	1	40	0.0	-75.45	313.10	5.88	-69.57
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CCO1	REAL300019727645	1	40	0.0	-75.54	313.17	5.87	-69.67
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NC2=NN=N[N-]2)[C@@H](C2=CC=C(F)C=C2F)C1	REAL300019727719	0	48	0.0	-53.95	348.60	8.59	-45.36
CC(C)(C)[N@H+]1CC[C@H](C(=O)NC2=NN=N[N-]2)[C@@H](C2=CC=C(F)C=C2F)C1	REAL300019727719	1	48	0.0	-71.54	363.62	8.68	-62.86
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NC2=N[N-]N=N2)[C@@H](C2=CC=C(F)C=C2F)C1	REAL300019727719	1	48	0.0	-53.91	348.70	8.57	-45.34
CC(C)(C)[N@H+]1CC[C@H](C(=O)NC2=N[N-]N=N2)[C@@H](C2=CC=C(F)C=C2F)C1	REAL300019727719	1	48	0.0	-71.41	363.71	8.67	-62.74
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)NC2=NN=N[N-]2)CC1	REAL300019727737	0	49	0.0	-74.79	375.90	4.25	-70.54
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)NC2=N[N-]N=N2)CC1	REAL300019727737	1	49	0.0	-74.74	375.99	4.24	-70.50
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CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(OCC[NH+](C)C)=C1	REAL300019727779	0	48	0.0	-74.51	380.99	5.87	-68.64
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(OCC[NH+](C)C)=C1	REAL300019727779	1	48	0.0	-74.58	381.04	5.88	-68.70
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(OCC[NH+](C)C)=C1	REAL300019727780	0	51	0.0	-80.40	406.11	8.76	-71.64
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(OCC[NH+](C)C)=C1	REAL300019727781	0	48	0.0	-58.83	391.79	5.63	-53.20
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(OCC[NH+](C)C)=C1	REAL300019727781	1	48	0.0	-58.84	391.72	5.62	-53.22
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300019727785	1	53	0.0	-68.12	405.65	6.67	-61.45
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300019727785	1	53	0.0	-68.09	405.71	6.68	-61.41
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019727786	1	53	0.0	-61.62	413.40	7.09	-54.53
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C2C1	REAL300019727807	0	48	0.0	-69.30	363.79	5.92	-63.38
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C2C1	REAL300019727807	1	48	0.0	-69.34	363.85	5.94	-63.40
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC2=CC=CC=C2C1	REAL300019727808	0	51	0.0	-69.72	388.16	9.26	-60.46
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC2=CC=CC=C2C1	REAL300019727808	1	51	0.0	-69.49	388.25	9.29	-60.20
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2=CC=CC=C2C1	REAL300019727809	0	48	0.0	-59.93	374.11	6.16	-53.77
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2=CC=CC=C2C1	REAL300019727809	1	48	0.0	-59.92	374.18	6.17	-53.75
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CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C[NH+]1CCOCC1	REAL300019727832	1	48	0.0	-78.31	371.35	5.72	-72.59
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C[NH+]1CCOCC1	REAL300019727833	1	45	0.0	-62.12	357.66	2.59	-59.53
C#CCC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019727841	0	46	0.0	-78.71	369.10	7.81	-70.90
C#CCC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019727841	1	46	0.0	-78.56	369.20	7.83	-70.73
C#CCC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019727842	0	43	0.0	-64.03	355.33	4.71	-59.32
C#CCC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019727842	1	43	0.0	-63.99	355.40	4.71	-59.28
CCCN(CC[NH+](C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019727846	0	46	0.0	-57.51	356.16	7.94	-49.57
CCCN(CC[NH+](C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019727846	1	46	0.0	-57.38	356.24	7.96	-49.42
CCCN(CC[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019727847	0	43	0.0	-59.78	342.96	6.26	-53.52
CCCN(CC[NH+](C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019727847	1	43	0.0	-59.81	343.04	6.27	-53.54
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CC1CC[N@@H+](CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019727938	1	44	0.0	-74.15	348.06	6.48	-67.67
CC1CC[N@H+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019727939	0	41	0.0	-58.90	333.57	3.29	-55.61
CC1CC[N@@H+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019727939	1	41	0.0	-58.73	333.43	3.32	-55.41
CC1CC[N@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019727939	1	41	0.0	-58.91	333.64	3.29	-55.62
CC1CC[N@@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019727939	1	41	0.0	-58.69	333.50	3.32	-55.37
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C[NH+]1CCC(O)(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019728018	0	45	0.0	-80.31	350.76	3.69	-76.62
C[NH+]1CCC(O)(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019728018	1	45	0.0	-79.43	351.25	3.67	-75.76
C[NH+]1CCC(O)(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019728019	0	42	0.0	-60.08	337.02	0.55	-59.53
C[NH+]1CCC(O)(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019728019	1	42	0.0	-60.08	337.09	0.56	-59.52
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300019728032	0	52	0.0	-67.54	399.68	4.73	-62.81
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300019728032	1	52	0.0	-67.51	399.73	4.75	-62.76
O=C(NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728033	0	52	0.0	-56.91	411.63	4.59	-52.32
O=C(NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728033	1	52	0.0	-56.94	411.69	4.58	-52.36
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C2(CCCCC2)C1	REAL300019728043	0	48	0.0	-74.88	339.43	6.35	-68.53
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C2(CCCCC2)C1	REAL300019728043	1	48	0.0	-74.91	339.54	6.35	-68.56
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C2(CCCCC2)C1	REAL300019728043	1	48	0.0	-74.89	339.49	6.36	-68.53
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C2(CCCCC2)C1	REAL300019728043	1	48	0.0	-74.95	339.60	6.37	-68.58
C[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C2(CCCCC2)C1	REAL300019728044	0	51	0.0	-77.27	363.35	8.96	-68.31
C[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C2(CCCCC2)C1	REAL300019728044	1	51	0.0	-81.30	361.37	8.93	-72.37
C[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C2(CCCCC2)C1	REAL300019728044	1	51	0.0	-72.32	364.10	8.97	-63.35
C[N@H+]1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C2(CCCCC2)C1	REAL300019728044	1	51	0.0	-83.86	362.09	8.95	-74.91
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(CCCCC2)C1	REAL300019728045	0	48	0.0	-62.86	348.95	6.51	-56.35
C[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(CCCCC2)C1	REAL300019728045	1	48	0.0	-62.79	348.74	6.47	-56.32
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(CCCCC2)C1	REAL300019728045	1	48	0.0	-62.84	349.02	6.51	-56.33
C[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(CCCCC2)C1	REAL300019728045	1	48	0.0	-62.79	348.81	6.48	-56.31
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=N[N-]N=N1	REAL300019728136	0	51	0.0	-67.59	393.33	8.42	-59.17
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=N[N-]N=N1	REAL300019728136	1	51	0.0	-67.35	394.39	8.51	-58.84
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=NN=N[N-]1	REAL300019728136	1	51	0.0	-67.60	393.39	8.43	-59.17
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=NN=N[N-]1	REAL300019728136	1	51	0.0	-67.39	394.45	8.53	-58.86
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019728137	0	54	0.0	-71.49	414.88	10.91	-60.58
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019728137	1	54	0.0	-59.57	417.13	11.07	-48.50
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728138	0	51	0.0	-61.37	401.15	8.82	-52.55
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728138	1	51	0.0	-61.35	402.12	8.88	-52.47
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728138	1	51	0.0	-61.41	401.21	8.82	-52.59
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728138	1	51	0.0	-61.33	402.18	8.90	-52.43
CCCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019733027	0	54	0.0	-70.32	429.35	9.10	-61.22
CCCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019733027	1	54	0.0	-69.81	429.30	9.10	-60.71
CCCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019733027	1	54	0.0	-70.29	429.41	9.12	-61.17
CCCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019733027	1	54	0.0	-69.78	429.36	9.12	-60.66
CCCC(NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=N[N-]N=N1	REAL300019733066	0	47	0.0	-56.06	363.00	5.97	-50.09
CCCC(NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=NN=N[N-]1	REAL300019733066	1	47	0.0	-56.11	363.05	5.98	-50.13
CCCC(NC(=O)CCCC[NH+]1CCOCC1)C1=N[N-]N=N1	REAL300019733137	1	48	0.0	-66.35	372.76	3.62	-62.73
CCCC(NC(=O)CCCC[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300019733137	1	48	0.0	-66.34	372.82	3.64	-62.70
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL300019734547	0	55	0.0	-64.04	423.23	8.17	-55.87
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL300019734547	1	55	0.0	-64.06	423.41	8.15	-55.91
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL300019734547	1	55	0.0	-64.01	423.17	8.16	-55.85
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL300019734547	1	55	0.0	-64.06	423.35	8.15	-55.91
CCCC(NC(=O)C1=NN(C)C=C1C[N@@H+]1CCC(OC)C1)C1=NN=N[N-]1	REAL300019734738	1	52	0.0	-50.57	415.51	3.66	-46.91
CCCC(NC(=O)C1=NN(C)C=C1C[N@H+]1CCC(OC)C1)C1=NN=N[N-]1	REAL300019734738	1	52	0.0	-55.23	415.81	3.62	-51.61
CCCC(NC(=O)C1=NN(C)C=C1C[N@@H+]1CCC(O)C1)C1=NN=N[N-]1	REAL300019734739	1	49	0.0	-50.36	393.68	1.26	-49.10
CCCC(NC(=O)C1=NN(C)C=C1C[N@H+]1CCC(O)C1)C1=NN=N[N-]1	REAL300019734739	1	49	0.0	-55.95	391.63	1.09	-54.86
CCCC(NC(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=NN=N[N-]1	REAL300019734740	0	56	0.0	-66.04	436.41	3.23	-62.81
CCCC(NC(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=N[N-]N=N1	REAL300019734740	1	56	0.0	-66.04	436.35	3.21	-62.83
CCCC(NC(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=N[N-]N=N1	REAL300019734836	0	47	0.0	-77.99	403.94	4.66	-73.33
CCCC(NC(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=NN=N[N-]1	REAL300019734836	1	47	0.0	-77.98	404.00	4.68	-73.30
CCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300019734916	0	47	0.0	-67.98	375.14	6.36	-61.62
CCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300019734916	1	47	0.0	-67.99	375.19	6.37	-61.62
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1=NN=N[N-]1	REAL300019734930	0	45	0.0	-67.56	364.46	4.99	-62.57
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1=NN=N[N-]1	REAL300019734931	0	53	0.0	-65.22	424.08	5.89	-59.33
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1=N[N-]N=N1	REAL300019734931	1	53	0.0	-65.20	424.02	5.88	-59.32
CCCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300019734932	0	41	0.0	-67.23	328.90	3.66	-63.57
CCCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300019734932	1	41	0.0	-61.73	325.97	3.67	-58.06
CCCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300019734932	1	41	0.0	-67.18	328.84	3.66	-63.52
CCCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300019734932	1	41	0.0	-61.77	325.91	3.66	-58.11
CCCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)S1)C1=N[N-]N=N1	REAL300019735025	1	50	0.0	-72.24	404.28	4.14	-68.10
CCCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019735082	0	54	0.0	-69.64	428.55	6.79	-62.85
CCCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019735082	1	54	0.0	-69.64	428.61	6.81	-62.83
CCCC(NC(=O)C1CC[NH+](CC(C)C)CC1)C1=N[N-]N=N1	REAL300019735089	0	50	0.0	-64.89	375.55	5.79	-59.10
CCCC(NC(=O)C1CC[NH+](CC(C)C)CC1)C1=NN=N[N-]1	REAL300019735089	1	50	0.0	-64.84	375.60	5.80	-59.04
CCCC(NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=NN=N[N-]1	REAL300019735106	0	48	0.0	-50.10	356.87	5.58	-44.52
CCCC(NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=NN=N[N-]1	REAL300019735106	1	48	0.0	-57.16	362.55	5.42	-51.74
CCCC(NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=N[N-]N=N1	REAL300019735106	1	48	0.0	-50.06	356.82	5.56	-44.50
CCCC(NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=N[N-]N=N1	REAL300019735106	1	48	0.0	-57.16	362.49	5.40	-51.76
CCCC(NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL300019735108	0	48	0.0	-58.89	344.95	4.81	-54.08
CCCC(NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL300019735108	1	48	0.0	-53.79	349.29	5.51	-48.28
CCCC(NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL300019735108	1	48	0.0	-58.90	344.89	4.80	-54.10
CCCC(NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL300019735108	1	48	0.0	-53.79	349.23	5.49	-48.30
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL300019735157	0	51	0.0	-68.60	398.18	7.02	-61.58
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL300019735157	1	51	0.0	-61.60	395.66	7.16	-54.44
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL300019735157	1	51	0.0	-68.60	398.13	7.01	-61.59
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL300019735157	1	51	0.0	-61.56	395.59	7.14	-54.42
CCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019735179	0	52	0.0	-73.26	416.99	6.49	-66.77
CCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019735179	1	52	0.0	-73.24	417.05	6.52	-66.72
CCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019736547	0	48	0.0	-72.90	382.44	5.32	-67.58
CCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019736547	1	48	0.0	-72.87	382.49	5.33	-67.54
CCCC(NC(=O)C(CC(=O)OC)[NH+]1CCCCC1)C1=NN=N[N-]1	REAL300019736588	1	50	0.0	-45.23	379.79	4.97	-40.26
CCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019736699	0	54	0.0	-58.64	414.20	7.98	-50.66
CCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019736699	1	54	0.0	-58.61	414.26	7.99	-50.62
CCCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019736700	1	52	0.0	-74.42	400.05	5.70	-68.72
CCCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019736700	1	52	0.0	-74.45	400.11	5.70	-68.75
CCCC(NC(=O)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019736805	0	61	0.0	-73.88	462.79	4.06	-69.82
CCCC(NC(=O)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019736805	1	61	0.0	-73.87	462.84	4.07	-69.80
CCCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL300019736820	0	50	0.0	-52.11	369.46	5.97	-46.14
CCCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL300019736820	1	50	0.0	-52.14	369.47	5.96	-46.18
CCCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL300019736820	1	50	0.0	-52.12	369.40	5.95	-46.17
CCCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL300019736820	1	50	0.0	-52.18	369.41	5.94	-46.24
CC(CCNC(=O)CCCC1=N[N-]N=N1)[N@H+](C)CC1=CC=CC=C1	REAL300019736843	0	50	0.0	-69.48	385.07	6.48	-63.00
CC(CCNC(=O)CCCC1=N[N-]N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300019736843	1	50	0.0	-72.87	388.67	6.49	-66.38
CC(CCNC(=O)CCCC1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300019736843	1	50	0.0	-69.53	385.13	6.49	-63.04
CC(CCNC(=O)CCCC1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300019736843	1	50	0.0	-72.87	388.72	6.51	-66.36
CC(CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300019736844	0	53	0.0	-74.16	410.10	9.38	-64.78
CC(CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300019736844	1	53	0.0	-74.35	410.52	9.35	-65.00
CC(CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300019736844	1	53	0.0	-74.23	410.35	9.36	-64.87
CC(CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300019736844	1	53	0.0	-74.05	410.46	9.40	-64.65
CC(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@H+](C)CC1=CC=CC=C1	REAL300019736845	0	50	0.0	-61.47	399.18	6.29	-55.18
CC(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300019736845	1	50	0.0	-60.30	396.06	6.28	-54.02
CC(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@H+](C)CC1=CC=CC=C1	REAL300019736845	1	50	0.0	-61.46	399.24	6.29	-55.17
CC(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300019736845	1	50	0.0	-60.25	396.13	6.28	-53.97
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL300019736870	0	44	0.0	-69.64	362.19	6.82	-62.82
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL300019736870	1	44	0.0	-69.69	362.25	6.84	-62.85
C[NH+](C)CCN(CC1=CC=CS1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019736871	0	47	0.0	-61.59	385.03	9.30	-52.29
C[NH+](C)CCN(CC1=CC=CS1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019736871	1	47	0.0	-61.54	385.11	9.32	-52.22
C[NH+](C)CCN(CC1=CC=CS1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019736872	0	44	0.0	-57.36	371.66	7.61	-49.75
C[NH+](C)CCN(CC1=CC=CS1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019736872	1	44	0.0	-57.35	371.73	7.60	-49.75
C[NH+]1CCN(C(=O)CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300019737000	1	52	0.0	-86.76	412.47	6.16	-80.60
C[NH+]1CCN(C(=O)CC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300019737000	1	52	0.0	-86.83	412.52	6.18	-80.65
CC[NH+](CC)CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019737101	0	51	0.0	-70.79	386.63	5.38	-65.41
CC[NH+](CC)CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019737101	1	51	0.0	-70.85	386.68	5.40	-65.45
CC[NH+](CC)CCOC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019737102	0	54	0.0	-55.37	410.11	8.07	-47.30
CC[NH+](CC)CCOC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019737103	0	51	0.0	-59.42	396.81	5.90	-53.52
CC[NH+](CC)CCOC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019737103	1	51	0.0	-59.43	396.88	5.91	-53.52
CC(C)OCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019737104	0	51	0.0	-67.92	392.65	4.54	-63.38
CC(C)OCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019737104	1	51	0.0	-67.95	392.71	4.55	-63.40
CC(C)OCC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019737105	0	54	0.0	-72.30	417.02	7.46	-64.84
CC(C)OCC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019737106	0	51	0.0	-59.53	403.23	4.35	-55.18
CC(C)OCC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019737106	1	51	0.0	-59.49	403.29	4.36	-55.13
COC(=O)CC(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019737114	1	47	0.0	-70.13	358.36	5.25	-64.88
COC(=O)CC(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019737114	1	47	0.0	-70.09	358.42	5.27	-64.82
COC(=O)CC(C)[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019737115	1	50	0.0	-74.55	380.52	7.73	-66.82
CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019737117	0	48	0.0	-76.31	343.55	8.72	-67.59
CC[N@H+]1CCC2CCC(C1)N2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019737117	1	48	0.0	-81.41	343.58	8.82	-72.59
CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019737117	1	48	0.0	-76.11	343.62	8.74	-67.37
CC[N@H+]1CCC2CCC(C1)N2C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019737117	1	48	0.0	-82.31	343.79	8.77	-73.54
CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019737118	0	45	0.0	-56.63	332.88	6.95	-49.68
CC[N@H+]1CCC2CCC(C1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019737118	1	45	0.0	-56.63	332.92	6.92	-49.71
CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019737118	1	45	0.0	-56.69	332.81	6.93	-49.76
CC[N@H+]1CCC2CCC(C1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019737118	1	45	0.0	-56.62	332.85	6.92	-49.70
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019737155	0	51	0.0	-75.39	379.70	8.82	-66.57
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019737155	1	51	0.0	-75.33	379.27	8.77	-66.56
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019737155	1	51	0.0	-75.41	379.75	8.84	-66.57
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019737155	1	51	0.0	-75.34	379.33	8.79	-66.55
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019737156	0	54	0.0	-65.94	413.94	10.81	-55.13
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019737156	1	54	0.0	-77.29	412.04	10.92	-66.37
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019737157	0	51	0.0	-60.36	398.19	8.75	-51.61
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019737157	1	51	0.0	-60.29	398.10	8.76	-51.53
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019737157	1	51	0.0	-60.41	398.12	8.74	-51.67
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019737157	1	51	0.0	-60.31	398.03	8.75	-51.56
CCC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300019737189	1	55	0.0	-72.62	410.59	6.25	-66.37
CCC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300019737189	1	55	0.0	-74.53	422.17	6.64	-67.89
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746829	0	56	0.0	-70.06	412.25	8.88	-61.18
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746829	1	56	0.0	-69.85	411.97	8.89	-60.96
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746829	1	56	0.0	-70.00	412.30	8.91	-61.09
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746829	1	56	0.0	-69.87	412.02	8.92	-60.95
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746848	1	41	0.0	-58.75	322.33	3.77	-54.98
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746932	0	46	0.0	-67.17	337.76	3.63	-63.54
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746932	1	46	0.0	-67.93	328.01	3.46	-64.47
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746932	1	46	0.0	-67.20	337.82	3.65	-63.55
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746932	1	46	0.0	-67.91	328.07	3.48	-64.43
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019747086	1	53	0.0	-61.49	408.57	4.97	-56.52
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019747086	1	53	0.0	-63.57	414.38	4.66	-58.91
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019747087	1	50	0.0	-61.72	385.13	2.64	-59.08
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019747087	1	50	0.0	-54.70	386.98	2.67	-52.03
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019747088	0	57	0.0	-66.99	429.32	4.62	-62.37
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019747088	1	57	0.0	-66.95	429.27	4.59	-62.36
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019749572	0	49	0.0	-75.79	377.75	6.10	-69.69
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019749572	1	49	0.0	-75.76	377.81	6.13	-69.63
COC(=O)CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019749618	0	51	0.0	-53.40	373.48	5.98	-47.42
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749764	0	55	0.0	-70.09	409.99	9.13	-60.96
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019749764	1	55	0.0	-70.12	410.05	9.15	-60.97
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300019749765	1	53	0.0	-80.27	395.11	6.51	-73.76
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300019749765	1	53	0.0	-79.92	396.30	6.54	-73.38
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019749852	0	48	0.0	-61.55	339.13	5.59	-55.96
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019749852	1	48	0.0	-61.52	339.19	5.61	-55.91
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019749939	0	51	0.0	-47.38	359.09	6.86	-40.52
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019749939	1	51	0.0	-66.53	370.91	6.79	-59.74
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019749939	1	51	0.0	-47.38	359.09	6.86	-40.52
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019749939	1	51	0.0	-66.53	370.91	6.79	-59.74
C[NH+](C)CC(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019749970	0	41	0.0	-61.51	330.83	0.37	-61.14
C[NH+](C)CC(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019749970	1	41	0.0	-61.57	330.90	0.37	-61.20
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2C3=CC=CC=C3C3=CC=CC=C32)CC1	REAL300019750009	1	53	0.0	-76.04	408.00	9.84	-66.20
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2C3=CC=CC=C3C3=CC=CC=C32)CC1	REAL300019750009	1	53	0.0	-76.04	408.00	9.84	-66.20
CC1CC[NH+](C2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019750016	0	54	0.0	-72.96	392.60	7.05	-65.91
CC1CC[NH+](C2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019750016	1	54	0.0	-73.01	392.66	7.07	-65.94
CC1CC[NH+](C2CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL300019750017	0	57	0.0	-75.28	421.40	9.55	-65.73
CC1CC[NH+](C2CCC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)CC1	REAL300019750017	1	57	0.0	-75.06	421.50	9.57	-65.49
CC1CC[NH+](C2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019750018	0	54	0.0	-60.17	407.62	6.43	-53.74
CC1CC[NH+](C2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019750018	1	54	0.0	-60.16	407.68	6.46	-53.70
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(N(C)C)=[NH+]1	REAL300019750042	1	43	0.0	-59.02	351.28	6.04	-52.98
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(N(C)C)=[NH+]1	REAL300019750043	1	40	0.0	-49.02	336.98	2.99	-46.03
CN(CC(C)(C)CN1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL300019750048	0	51	0.0	-69.60	364.14	4.97	-64.63
CN(CC(C)(C)CN1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL300019750048	1	51	0.0	-69.57	364.20	4.98	-64.59
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL300019750048	1	51	0.0	-69.60	364.14	4.97	-64.63
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL300019750048	1	51	0.0	-69.57	364.20	4.98	-64.59
CN(CC(C)(C)CN1CCOCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019750049	0	54	0.0	-64.67	386.04	7.59	-57.08
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019750049	1	54	0.0	-64.67	386.04	7.59	-57.08
CN(CC(C)(C)CN1CCOCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019750050	0	51	0.0	-61.96	372.28	5.36	-56.60
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019750050	1	51	0.0	-61.96	372.28	5.36	-56.60
CC(C)C[N@@H+]1CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2C1	REAL300019750060	0	48	0.0	-75.52	375.73	7.04	-68.48
CC(C)C[N@H+]1CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2C1	REAL300019750060	1	48	0.0	-75.80	374.95	7.08	-68.72
CC(C)CN1CC2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2C1	REAL300019750061	0	48	0.0	-61.61	384.52	6.81	-54.80
CC(C)C[N@H+]1CC2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2C1	REAL300019750061	1	48	0.0	-61.61	384.52	6.81	-54.80
C[NH+]1CCC(C)(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019750067	0	47	0.0	-80.05	354.82	7.07	-72.98
C[NH+]1CCC(C)(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019750067	1	47	0.0	-79.34	355.31	7.04	-72.30
C[NH+]1CCC(C)(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019750068	0	44	0.0	-60.89	341.09	3.93	-56.96
C[NH+]1CCC(C)(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019750068	1	44	0.0	-60.84	341.15	3.94	-56.90
CC(CN(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL300019758361	0	55	0.0	-66.34	405.58	8.92	-57.42
CC(CN(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL300019758361	1	55	0.0	-66.79	405.90	8.90	-57.89
CC(CN(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL300019758361	1	55	0.0	-66.36	405.64	8.93	-57.43
CC(CN(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL300019758361	1	55	0.0	-66.76	405.95	8.91	-57.85
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL300019758599	1	52	0.0	-56.60	404.93	4.69	-51.91
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL300019758599	1	52	0.0	-56.55	405.85	4.68	-51.87
CC(CN(C)C(=O)C1=NN(C)C=C1C[N@@H+]1CCC(O)C1)C1=NN=N[N-]1	REAL300019758600	1	49	0.0	-56.00	381.61	2.41	-53.59
CC(CN(C)C(=O)C1=NN(C)C=C1C[N@H+]1CCC(O)C1)C1=NN=N[N-]1	REAL300019758600	1	49	0.0	-55.69	382.80	2.35	-53.34
CC(CN(C)C(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=NN=N[N-]1	REAL300019758601	0	56	0.0	-66.66	425.49	4.34	-62.32
CC(CN(C)C(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=N[N-]N=N1	REAL300019758601	1	56	0.0	-66.65	425.43	4.32	-62.33
CC(CN(C)C(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=N[N-]N=N1	REAL300019758725	0	47	0.0	-78.63	395.55	5.45	-73.18
CC(CN(C)C(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=NN=N[N-]1	REAL300019758725	1	47	0.0	-78.62	395.60	5.47	-73.15
CC(CN(C)C(=O)C1([NH+](C)C)COC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300019758728	1	49	0.0	-71.09	347.23	5.42	-65.67
CC(CN(C)C(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300019758824	0	47	0.0	-68.17	363.98	6.81	-61.36
CC(CN(C)C(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300019758824	1	47	0.0	-68.18	364.04	6.82	-61.36
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1=NN=N[N-]1	REAL300019758844	1	45	0.0	-73.78	353.50	5.87	-67.91
CC(CN(C)C(=O)CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1=N[N-]N=N1	REAL300019758846	0	53	0.0	-73.27	415.52	6.70	-66.57
CC(CN(C)C(=O)CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1=NN=N[N-]1	REAL300019758846	1	53	0.0	-73.29	415.58	6.71	-66.58
CC(CN(C)C(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300019758847	0	41	0.0	-70.09	320.33	4.10	-65.99
CC(CN(C)C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300019758847	1	41	0.0	-72.66	311.71	4.13	-68.53
CC(CN(C)C(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300019758847	1	41	0.0	-70.11	320.39	4.12	-65.99
CC(CN(C)C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300019758847	1	41	0.0	-72.65	311.78	4.14	-68.51
CC(CN(C)C(=O)C1=CC=C(CN2CC[NH+](C)CC2)S1)C1=N[N-]N=N1	REAL300019758968	1	50	0.0	-69.50	390.61	4.46	-65.04
CC(CN(C)C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019759034	0	54	0.0	-73.70	420.07	7.60	-66.10
CC(CN(C)C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019759034	1	54	0.0	-73.67	420.13	7.61	-66.06
CC(C)C[NH+]1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL300019759043	0	50	0.0	-71.81	362.17	6.33	-65.48
CC(C)C[NH+]1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL300019759043	1	50	0.0	-71.87	362.23	6.34	-65.53
CC(CN(C)C(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=N[N-]N=N1	REAL300019759070	0	48	0.0	-55.12	338.67	5.86	-49.26
CC(CN(C)C(=O)C1CCC2CC(C)C[N@H+]2C1)C1=N[N-]N=N1	REAL300019759070	1	48	0.0	-61.18	348.74	5.85	-55.33
CC(CN(C)C(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=NN=N[N-]1	REAL300019759070	1	48	0.0	-55.14	338.73	5.88	-49.26
CC(CN(C)C(=O)C1CCC2CC(C)C[N@H+]2C1)C1=NN=N[N-]1	REAL300019759070	1	48	0.0	-61.23	348.80	5.87	-55.36
CC(CN(C)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL300019759072	0	48	0.0	-64.54	331.20	5.33	-59.21
CC(CN(C)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL300019759072	1	48	0.0	-56.46	337.50	6.11	-50.35
CC(CN(C)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL300019759072	1	48	0.0	-64.55	331.26	5.34	-59.21
CC(CN(C)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL300019759072	1	48	0.0	-56.50	337.56	6.12	-50.38
CC(CN(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL300019759133	0	51	0.0	-72.73	388.03	7.73	-65.00
CC(CN(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL300019759133	1	51	0.0	-64.46	384.18	8.11	-56.35
CC(CN(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL300019759133	1	51	0.0	-72.77	388.09	7.75	-65.02
CC(CN(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL300019759133	1	51	0.0	-64.44	384.24	8.12	-56.32
CC(CN(C)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019759156	0	52	0.0	-76.90	407.65	7.31	-69.59
CC(CN(C)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019759156	1	52	0.0	-76.90	407.71	7.33	-69.57
CC(CN(C)C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019760947	0	48	0.0	-71.03	370.76	5.77	-65.26
CC(CN(C)C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019760947	1	48	0.0	-71.07	370.81	5.78	-65.29
COC(=O)CC(C(=O)N(C)CC(C)C1=NN=N[N-]1)[NH+]1CCCCC1	REAL300019760994	0	50	0.0	-52.53	364.73	5.55	-46.98
CC(CN(C)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019761126	0	54	0.0	-65.05	405.70	8.80	-56.25
CC(CN(C)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019761126	1	54	0.0	-65.05	405.76	8.81	-56.24
CC(CN(C)C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019761127	1	52	0.0	-79.19	387.79	6.12	-73.07
CC(CN(C)C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019761127	1	52	0.0	-74.55	389.04	6.16	-68.39
CSC1CN(C(=O)CCCC2=N[N-]N=N2)CC1[NH+]1CCCC1	REAL300019761297	0	46	0.0	-67.76	366.83	6.18	-61.58
CSC1CN(C(=O)CCCC2=NN=N[N-]2)CC1[NH+]1CCCC1	REAL300019761297	1	46	0.0	-67.76	366.89	6.20	-61.56
CSC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1[NH+]1CCCC1	REAL300019761298	0	49	0.0	-56.31	381.19	8.53	-47.78
CSC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1[NH+]1CCCC1	REAL300019761299	0	46	0.0	-50.68	366.61	6.27	-44.41
CSC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1[NH+]1CCCC1	REAL300019761299	1	46	0.0	-53.77	367.13	6.22	-47.55
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019761303	0	51	0.0	-59.74	390.62	8.75	-50.99
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019761303	1	51	0.0	-59.04	391.20	8.59	-50.45
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019761303	1	51	0.0	-59.72	390.67	8.77	-50.95
CCN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019761303	1	51	0.0	-59.08	391.26	8.60	-50.48
CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019761304	0	54	0.0	-59.81	412.85	11.22	-48.59
CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019761304	1	54	0.0	-57.40	412.62	11.06	-46.34
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019761305	0	51	0.0	-57.02	396.60	9.55	-47.47
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019761305	1	51	0.0	-57.11	397.21	9.50	-47.61
C[N@@H+]1CCC(O)(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019761325	0	42	0.0	-76.06	335.57	2.84	-73.22
C[N@H+]1CCC(O)(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019761325	1	42	0.0	-76.10	336.73	2.67	-73.43
C[N@@H+]1CCC(O)(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019761326	0	39	0.0	-59.70	321.90	-0.30	-60.00
C[N@H+]1CCC(O)(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019761326	1	39	0.0	-60.34	321.91	-0.36	-60.70
CC(C)[N@@H+]1CCCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019761521	0	47	0.0	-74.22	359.31	7.05	-67.17
CC(C)[N@H+]1CCCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019761521	1	47	0.0	-76.42	354.85	7.61	-68.81
CC(C)[N@@H+]1CCCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019761521	1	47	0.0	-73.25	358.98	7.09	-66.16
CC(C)[N@H+]1CCCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019761521	1	47	0.0	-76.69	355.34	7.60	-69.09
CC(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019761522	0	44	0.0	-57.38	345.22	3.97	-53.41
CC(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019761522	1	44	0.0	-56.45	341.20	4.49	-51.96
CC(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019761522	1	44	0.0	-57.43	345.15	3.96	-53.47
CC(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019761522	1	44	0.0	-56.45	341.12	4.48	-51.97
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764259	1	41	0.0	-48.31	361.13	5.01	-43.30
C[N@@H+]1CCCC(O)(CC(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764284	0	46	0.0	-56.94	379.21	4.37	-52.57
C[N@H+]1CCCC(O)(CC(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764284	1	46	0.0	-59.13	369.46	4.17	-54.96
C[N@@H+]1CCCC(O)(CC(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764284	1	46	0.0	-56.93	379.27	4.38	-52.55
C[N@H+]1CCCC(O)(CC(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764284	1	46	0.0	-59.10	369.52	4.19	-54.91
C[N@@H+]1CCCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764350	1	42	0.0	-55.30	344.49	5.36	-49.94
C[N@H+]1CCCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764350	1	42	0.0	-52.55	353.77	5.55	-47.00
O=C(CC[N@H+]1CCC(F)C1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764472	0	42	0.0	-56.20	366.12	5.73	-50.47
O=C(CC[N@@H+]1CCC(F)C1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764472	1	42	0.0	-59.49	366.43	5.75	-53.74
C[NH+](C)CC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)O1	REAL300019764476	1	42	0.0	-67.20	376.31	5.75	-61.45
CC(C)[N@@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764477	0	48	0.0	-49.54	384.48	6.94	-42.60
CC(C)[N@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764477	1	48	0.0	-56.25	390.66	6.73	-49.52
CC(C)[N@@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764477	1	48	0.0	-49.60	384.42	6.92	-42.68
CC(C)[N@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764477	1	48	0.0	-56.23	390.60	6.71	-49.52
CCC[N@@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764478	0	48	0.0	-48.72	389.26	7.16	-41.56
CCC[N@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764478	1	48	0.0	-57.93	395.50	6.96	-50.97
CCC[N@@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764478	1	48	0.0	-48.70	389.20	7.15	-41.55
CCC[N@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764478	1	48	0.0	-57.86	395.44	6.94	-50.92
CC(CC[NH+](C)C)C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764479	0	44	0.0	-58.90	371.79	5.81	-53.09
CC(CC[NH+](C)C)C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764479	1	44	0.0	-58.92	371.84	5.82	-53.10
C[N@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[C@@H]1CCC[C@H]1O	REAL300019764524	0	46	0.0	-49.64	382.82	3.15	-46.49
C[N@@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[C@@H]1CCC[C@H]1O	REAL300019764524	1	46	0.0	-48.92	382.44	3.33	-45.59
O=C(C[NH+]1CCC(CO)CC1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764544	1	46	0.0	-54.21	385.62	3.13	-51.08
CC1CN2CC[N@@H+]1CC2C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764549	0	45	0.0	-55.97	364.60	2.90	-53.07
CC1CN2CC[N@H+]1CC2C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764549	1	45	0.0	-63.45	364.55	2.88	-60.57
CC1CN2CC[N@@H+]1CC2C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764549	1	45	0.0	-56.01	364.54	2.88	-53.13
CC1CN2CC[N@H+]1CC2C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764549	1	45	0.0	-63.47	364.49	2.86	-60.61
CC(C)C[NH+]1CCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764566	0	51	0.0	-59.49	412.77	7.67	-51.82
CC(C)C[NH+]1CCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764566	1	51	0.0	-59.46	412.83	7.69	-51.77
CC1CC2CCC(C(=O)NC(C3=NN=N[N-]3)C3=CC=C(Cl)C(F)=C3)C[N@@H+]2C1	REAL300019764586	0	49	0.0	-47.03	393.89	7.50	-39.53
CC1CC2CCC(C(=O)NC(C3=NN=N[N-]3)C3=CC=C(Cl)C(F)=C3)C[N@H+]2C1	REAL300019764586	1	49	0.0	-48.44	394.17	7.47	-40.97
CC1CC2CCC(C(=O)NC(C3=N[N-]N=N3)C3=CC=C(Cl)C(F)=C3)C[N@@H+]2C1	REAL300019764586	1	49	0.0	-47.03	393.83	7.49	-39.54
CC1CC2CCC(C(=O)NC(C3=N[N-]N=N3)C3=CC=C(Cl)C(F)=C3)C[N@H+]2C1	REAL300019764586	1	49	0.0	-48.45	394.11	7.45	-41.00
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019764591	0	49	0.0	-57.77	382.16	6.70	-51.07
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019764591	1	49	0.0	-50.96	386.50	7.41	-43.55
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019764591	1	49	0.0	-57.75	382.11	6.68	-51.07
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019764591	1	49	0.0	-50.93	386.44	7.39	-43.54
CC(C)[N@@H+]1CCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764616	0	45	0.0	-48.97	370.72	6.06	-42.91
CC(C)[N@H+]1CCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764616	1	45	0.0	-49.03	370.75	6.03	-43.00
CC(C)(C)[NH2+]CCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764623	0	44	0.0	-58.12	372.25	4.22	-53.90
CC(C)(C)[NH2+]CCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764623	1	44	0.0	-58.13	372.31	4.24	-53.89
C[NH+]1CCC(OCC(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764637	0	46	0.0	-66.63	391.70	6.02	-60.61
C[NH+]1CCC(OCC(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764637	1	46	0.0	-66.67	391.75	6.03	-60.64
C[NH+](C)CC(O)CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764664	0	42	0.0	-62.82	364.34	2.94	-59.88
C[NH+](C)CC(O)CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764664	1	42	0.0	-62.82	364.40	2.96	-59.86
CC(C[NH+](C)C)C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764666	0	41	0.0	-45.06	349.48	5.33	-39.73
CC(C[NH+](C)C)C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764666	1	41	0.0	-45.03	349.42	5.32	-39.71
C[NH+](C)CC=CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764668	0	39	0.0	-60.97	347.76	5.16	-55.81
C[NH+](C)CC=CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764668	1	39	0.0	-60.96	347.71	5.14	-55.82
C=CCC(C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[NH+](C)C	REAL300019764772	0	42	0.0	-51.33	355.51	5.46	-45.87
C[N@@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764781	0	42	0.0	-49.48	350.15	5.77	-43.71
C[N@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764781	1	42	0.0	-58.18	356.37	5.55	-52.63
C[N@@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764781	1	42	0.0	-49.47	350.10	5.75	-43.72
C[N@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764781	1	42	0.0	-58.12	356.31	5.54	-52.58
C[N@H+]1CC=C(CC(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764820	0	43	0.0	-58.36	370.96	6.26	-52.10
C[N@@H+]1CC=C(CC(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764820	1	43	0.0	-55.96	370.96	6.26	-49.70
C[N@H+]1CC=C(CC(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764820	1	43	0.0	-58.38	370.90	6.25	-52.13
C[N@@H+]1CC=C(CC(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764820	1	43	0.0	-55.95	370.90	6.25	-49.70
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CC[N@@H+]2CCOCC12	REAL300019764913	0	44	0.0	-62.10	371.22	4.23	-57.87
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CC[N@H+]2CCOCC12	REAL300019764913	1	44	0.0	-53.24	368.45	4.07	-49.17
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1CC[N@@H+]2CCOCC12	REAL300019764913	1	44	0.0	-62.08	371.16	4.21	-57.87
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1CC[N@H+]2CCOCC12	REAL300019764913	1	44	0.0	-53.22	368.39	4.05	-49.17
C[NH+](C)CCSCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019765165	0	42	0.0	-64.75	378.64	5.86	-58.89
C[NH+](C)CCSCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019765165	1	42	0.0	-64.76	378.70	5.87	-58.89
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019765167	1	44	0.0	-53.03	374.73	6.61	-46.42
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019765167	1	44	0.0	-56.13	375.85	6.65	-49.48
CC1=[NH+]C=C2C=CC(C(=O)NC(C3=NN=N[N-]3)C3=CC=C(Cl)C(F)=C3)=CN21	REAL300019765185	0	40	0.0	-55.26	363.36	7.23	-48.03
CC[N@@H+]1CCOCC1CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019765193	1	46	0.0	-61.42	375.55	4.27	-57.15
CC[N@H+]1CCOCC1CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019765193	1	46	0.0	-61.53	375.20	4.30	-57.23
CC[N@@H+]1CCOCC1CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019765193	1	46	0.0	-61.43	375.50	4.26	-57.17
CC[N@H+]1CCOCC1CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019765193	1	46	0.0	-61.51	375.14	4.29	-57.22
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772941	0	44	0.0	-63.01	333.57	1.54	-61.47
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772941	1	44	0.0	-63.67	343.07	1.65	-62.02
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019773090	1	51	0.0	-63.42	413.40	3.02	-60.40
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019773090	1	51	0.0	-63.13	413.02	3.06	-60.07
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300019773091	1	48	0.0	-61.61	391.68	0.72	-60.89
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300019773091	1	48	0.0	-61.43	390.01	0.53	-60.90
C[NH+]1CC(N2CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2=O)C1	REAL300019773092	1	45	0.0	-69.08	361.44	2.19	-66.89
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773097	1	40	0.0	-67.46	305.76	2.89	-64.57
C[N@H+]1CCCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773097	1	40	0.0	-66.25	305.60	2.87	-63.38
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019775512	0	47	0.0	-73.85	381.04	4.74	-69.11
COC(=O)CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+]1CCCCC1	REAL300019775556	1	49	0.0	-61.46	377.82	4.43	-57.03
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019775693	0	53	0.0	-71.61	412.90	7.40	-64.21
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CCO1	REAL300019775694	1	51	0.0	-76.81	398.67	5.12	-71.69
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CCO1	REAL300019775694	1	51	0.0	-76.86	398.41	5.13	-71.73
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019775763	0	40	0.0	-67.88	322.61	3.20	-64.68
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019775775	0	46	0.0	-61.61	345.42	4.17	-57.44
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019775858	0	49	0.0	-66.73	374.13	5.17	-61.56
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019775858	1	49	0.0	-66.73	374.13	5.17	-61.56
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019775859	0	43	0.0	-62.38	329.08	3.96	-58.42
CC[N@H+]1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019775859	1	43	0.0	-62.38	329.08	3.96	-58.42
C[NH+](C)CCC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019775961	0	47	0.0	-75.66	379.98	6.25	-69.41
C[NH+](C)CCC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019775961	1	47	0.0	-75.66	379.98	6.25	-69.41
C[NH+](C)CCC1=CC=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019775962	0	50	0.0	-81.76	404.40	9.15	-72.61
C[NH+](C)CCC1=CC=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019775962	1	50	0.0	-81.76	404.40	9.15	-72.61
C[NH+](C)CCC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019775963	0	47	0.0	-63.37	390.59	6.02	-57.35
C[NH+](C)CCC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019775963	1	47	0.0	-63.37	390.59	6.02	-57.35
C[C@@H](O)CN1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019776011	1	45	0.0	-73.21	347.09	4.14	-69.07
C[C@@H](O)C[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019776011	1	45	0.0	-73.21	347.09	4.14	-69.07
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+]2CCC1CC2	REAL300019776023	0	42	0.0	-81.77	306.04	6.75	-75.02
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC[NH+]2CCC1CC2	REAL300019776023	1	42	0.0	-81.77	306.04	6.75	-75.02
CCN(CCC[NH+](C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019776025	0	46	0.0	-69.70	354.86	8.04	-61.66
CCN(CCC[NH+](C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019776025	1	46	0.0	-69.70	354.86	8.04	-61.66
CCN(CCC[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019776026	0	43	0.0	-59.55	340.13	6.21	-53.34
CCN(CCC[NH+](C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019776026	1	43	0.0	-59.55	340.13	6.21	-53.34
CC[NH+](CC)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019776027	0	47	0.0	-68.92	361.28	6.31	-62.61
CC[NH+](CC)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019776027	1	47	0.0	-68.92	361.28	6.31	-62.61
CC[NH+](CC)CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019776028	0	50	0.0	-74.24	391.98	9.57	-64.67
CC[NH+](CC)CC1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019776028	1	50	0.0	-74.24	391.98	9.57	-64.67
CC[NH+](CC)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019776029	0	47	0.0	-60.64	377.02	6.41	-54.23
CC[NH+](CC)CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019776029	1	47	0.0	-60.64	377.02	6.41	-54.23
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC(C)(C)O	REAL300019776033	0	48	0.0	-69.98	355.82	2.69	-67.29
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC(C)(C)O	REAL300019776033	1	48	0.0	-69.21	356.33	3.22	-65.99
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC(C)(C)O	REAL300019776033	1	48	0.0	-70.00	355.88	2.70	-67.30
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+]1CC(C)(C)O	REAL300019776034	0	51	0.0	-70.02	377.14	5.88	-64.14
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCN1CC(C)(C)O	REAL300019776035	0	48	0.0	-55.10	363.80	3.45	-51.65
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC(C)(C)O	REAL300019776035	1	48	0.0	-57.44	360.07	3.61	-53.83
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019776049	0	48	0.0	-71.65	356.11	3.53	-68.12
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019776049	1	48	0.0	-69.29	356.16	3.54	-65.75
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019776049	1	48	0.0	-71.64	356.17	3.54	-68.10
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019776050	0	51	0.0	-76.44	376.86	5.77	-70.67
CC1CN(CC(C)(C)O)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019776051	0	48	0.0	-58.67	361.64	3.76	-54.91
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019776051	1	48	0.0	-56.93	362.08	3.58	-53.35
CC1(C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCN1CCO	REAL300019776052	1	48	0.0	-72.42	354.50	4.42	-68.00
CC1(C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+]1CCO	REAL300019776052	1	48	0.0	-43.07	352.90	4.84	-38.23
CC1(C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+]1CCO	REAL300019776052	1	48	0.0	-43.07	352.90	4.84	-38.23
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCN1CCO	REAL300019776053	1	45	0.0	-52.69	339.55	2.13	-50.56
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CCO	REAL300019776053	1	45	0.0	-54.71	338.35	2.47	-52.24
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CCO	REAL300019776053	1	45	0.0	-54.71	338.35	2.47	-52.24
CC1=CC=CC=C1C(C(C)NC(=O)CCCC1=N[N-]N=N1)[NH+](C)C	REAL300019776139	0	50	0.0	-68.11	373.19	7.16	-60.95
CC1=CC=CC=C1C(C(C)NC(=O)CCCC1=NN=N[N-]1)[NH+](C)C	REAL300019776139	1	50	0.0	-68.11	373.19	7.16	-60.95
CC1=CC=CC=C1C(C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+](C)C	REAL300019776140	0	50	0.0	-60.17	381.26	6.94	-53.23
CC1=CC=CC=C1C(C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+](C)C	REAL300019776140	1	50	0.0	-60.17	381.26	6.94	-53.23
CCN(CCC[NH+](CC)CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019776191	0	52	0.0	-66.34	390.31	9.41	-56.93
CCN(CCC[NH+](CC)CC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019776191	1	52	0.0	-66.34	390.31	9.41	-56.93
CCN(CCC[NH+](CC)CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019776192	0	49	0.0	-57.54	374.28	7.39	-50.15
CCN(CCC[NH+](CC)CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019776192	1	49	0.0	-57.54	374.28	7.39	-50.15
CCN(CCC[NH+]1CCCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019776193	0	50	0.0	-68.24	380.83	9.21	-59.03
CCN(CCC[NH+]1CCCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019776193	1	50	0.0	-68.24	380.83	9.21	-59.03
CCN(CCC[NH+]1CCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019776194	0	47	0.0	-58.35	368.99	7.47	-50.88
CCN(CCC[NH+]1CCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019776194	1	47	0.0	-58.35	368.99	7.47	-50.88
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCSCC1C1=NN=N[N-]1	REAL300019781680	0	54	0.0	-65.47	407.01	9.17	-56.30
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCSCC1C1=NN=N[N-]1	REAL300019781680	1	54	0.0	-66.15	404.67	8.33	-57.82
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCSCC1C1=N[N-]N=N1	REAL300019781680	1	54	0.0	-65.44	406.94	9.15	-56.29
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCSCC1C1=N[N-]N=N1	REAL300019781680	1	54	0.0	-66.18	404.60	8.32	-57.86
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781697	1	39	0.0	-56.95	312.81	3.25	-53.70
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781884	1	51	0.0	-52.64	400.49	4.51	-48.13
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781884	1	51	0.0	-53.27	401.51	4.58	-48.69
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019781885	1	48	0.0	-49.84	380.30	2.34	-47.50
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019781885	1	48	0.0	-50.53	376.97	2.02	-48.51
C[NH+](C)CCSC1=NC(CC(=O)N2CCSCC2C2=N[N-]N=N2)=CS1	REAL300019781985	0	46	0.0	-78.18	393.18	5.29	-72.89
C[NH+](C)CCSC1=NC(CC(=O)N2CCSCC2C2=NN=N[N-]2)=CS1	REAL300019781985	1	46	0.0	-78.22	393.24	5.30	-72.92
C[NH+](C)CCC1=CC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019782082	0	46	0.0	-72.93	360.75	6.57	-66.36
C[NH+](C)CCC1=CC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019782082	1	46	0.0	-72.92	360.81	6.58	-66.34
O=C(CC[N@H+]1CCC(F)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019782095	0	40	0.0	-70.24	317.99	4.49	-65.75
O=C(CC[N@@H+]1CCC(F)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019782095	1	40	0.0	-66.31	318.14	4.51	-61.80
C[NH+](C)CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019782102	1	40	0.0	-80.71	324.28	4.31	-76.40
CC(C)[N@@H+]1CCCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019782103	0	46	0.0	-50.35	333.35	5.51	-44.84
CC(C)[N@H+]1CCCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019782103	1	46	0.0	-50.38	331.07	5.44	-44.94
CC(C)[N@@H+]1CCCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019782103	1	46	0.0	-50.30	333.30	5.51	-44.79
CC(C)[N@H+]1CCCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019782103	1	46	0.0	-50.38	331.00	5.44	-44.94
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCSCC1C1=NN=N[N-]1	REAL300019782104	1	44	0.0	-79.38	350.72	5.53	-73.85
CCC[N@@H+]1CCCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019782105	0	46	0.0	-64.58	343.03	5.41	-59.17
CCC[N@H+]1CCCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019782105	1	46	0.0	-50.34	337.89	5.62	-44.72
CCC[N@@H+]1CCCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019782105	1	46	0.0	-64.53	342.95	5.40	-59.13
CCC[N@H+]1CCCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019782105	1	46	0.0	-50.34	337.82	5.63	-44.71
C[N@@H+]1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300019782106	0	40	0.0	-65.29	324.19	4.20	-61.09
C[N@H+]1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300019782106	1	40	0.0	-64.86	315.26	4.03	-60.83
C[N@@H+]1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C(C(F)(F)F)C1	REAL300019782106	1	40	0.0	-65.27	324.12	4.20	-61.07
C[N@H+]1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C(C(F)(F)F)C1	REAL300019782106	1	40	0.0	-64.84	315.18	4.02	-60.82
C[N@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300019782196	0	44	0.0	-50.91	334.33	2.00	-48.91
C[N@@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300019782196	1	44	0.0	-54.89	334.70	1.80	-53.09
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)S2)CC1	REAL300019782197	1	49	0.0	-80.17	391.18	4.51	-75.66
C[NH+](C)CCOC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019783853	0	47	0.0	-79.47	367.76	5.50	-73.97
C[NH+](C)CCOC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019783853	1	47	0.0	-79.46	367.83	5.50	-73.96
COC(=O)CC(C(=O)N1CCSCC1C1=NN=N[N-]1)[NH+]1CCCCC1	REAL300019783892	1	49	0.0	-45.45	363.70	5.36	-40.09
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019784024	0	53	0.0	-66.98	403.44	8.61	-58.37
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019784024	1	53	0.0	-67.03	403.51	8.60	-58.43
CC1C[N@H+](CC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C2)CCO1	REAL300019784025	1	51	0.0	-85.95	392.43	5.95	-80.00
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C2)CCO1	REAL300019784025	1	51	0.0	-86.00	391.92	5.92	-80.08
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019784087	0	46	0.0	-56.07	329.21	5.00	-51.07
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019784087	1	46	0.0	-56.08	329.29	5.00	-51.08
CC(C)C[N@@H+]1CCCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019784149	0	49	0.0	-50.30	353.82	6.91	-43.39
CC(C)C[N@H+]1CCCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019784149	1	49	0.0	-64.55	361.82	6.27	-58.28
CC(C)C[N@@H+]1CCCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019784149	1	49	0.0	-50.29	353.76	6.91	-43.38
CC(C)C[N@H+]1CCCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019784149	1	49	0.0	-64.53	361.77	6.26	-58.27
CC[N@@H+]1CCCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019784150	0	43	0.0	-50.36	313.13	4.80	-45.56
CC[N@H+]1CCCC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019784150	1	43	0.0	-50.43	313.06	4.78	-45.65
CC[N@@H+]1CCCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019784150	1	43	0.0	-50.37	313.06	4.79	-45.58
CC[N@H+]1CCCC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019784150	1	43	0.0	-50.39	313.00	4.80	-45.59
CC(CC[NH+]1CCN(C)CC1)NC(=O)CCCC1=N[N-]N=N1	REAL300019784181	0	49	0.0	-72.43	376.49	2.85	-69.58
CC(CC[NH+]1CCN(C)CC1)NC(=O)CCCC1=NN=N[N-]1	REAL300019784181	1	49	0.0	-72.46	376.55	2.86	-69.60
CC(CC[NH+]1CCN(C)CC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019784182	0	52	0.0	-77.61	401.24	5.74	-71.87
CC(CCN1CC[NH+](C)CC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019784182	1	52	0.0	-77.28	401.23	5.87	-71.41
C[NH+](C)C(CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300019789363	0	49	0.0	-67.18	368.45	4.07	-63.11
C[NH+](C)C(CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300019789363	1	49	0.0	-67.17	368.51	4.08	-63.09
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789374	0	53	0.0	-55.23	368.16	3.54	-51.69
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789374	1	53	0.0	-53.74	373.45	3.77	-49.97
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789374	1	53	0.0	-55.24	368.23	3.54	-51.70
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789374	1	53	0.0	-53.79	373.51	3.77	-50.02
O=C(CCCC[NH+]1CCOCC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789473	1	50	0.0	-66.73	376.65	1.65	-65.08
O=C(CCCC[NH+]1CCOCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789473	1	50	0.0	-66.74	376.72	1.65	-65.09
O=C(C1CC[NH+](C2CC2)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789708	0	47	0.0	-62.49	352.09	2.99	-59.50
O=C(C1CC[NH+](C2CC2)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789708	1	47	0.0	-62.44	352.15	3.00	-59.44
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CCC[NH+]1CCC2	REAL300019789720	0	44	0.0	-59.38	309.47	1.45	-57.93
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CCC[NH+]1CCC2	REAL300019789720	1	44	0.0	-59.38	309.54	1.46	-57.92
O=C(C1CCC[N@@H+]1C1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789845	0	44	0.0	-59.43	330.15	1.96	-57.47
O=C(C1CCC[N@H+]1C1CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789845	1	44	0.0	-53.30	326.67	2.16	-51.14
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789889	0	53	0.0	-70.00	398.02	5.06	-64.94
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789889	1	53	0.0	-70.02	398.08	5.07	-64.95
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789921	0	50	0.0	-69.86	380.04	4.32	-65.54
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789921	1	50	0.0	-69.89	380.10	4.32	-65.57
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019789923	1	47	0.0	-61.10	338.91	1.25	-59.85
CC(C)[N@H+]1CCOC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019789923	1	47	0.0	-66.52	345.81	1.41	-65.11
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019789923	1	47	0.0	-61.14	338.97	1.26	-59.88
CC(C)[N@H+]1CCOC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019789923	1	47	0.0	-66.52	345.86	1.40	-65.12
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019789939	0	52	0.0	-68.10	384.55	4.16	-63.94
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019789939	1	52	0.0	-68.09	384.61	4.16	-63.93
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789962	0	46	0.0	-58.09	353.58	3.22	-54.87
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789962	1	46	0.0	-58.09	353.64	3.23	-54.86
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790031	0	53	0.0	-60.59	399.05	5.05	-55.54
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790031	1	53	0.0	-60.61	399.11	5.06	-55.55
CC1=[NH+]C=C2CCC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)CN21	REAL300019790049	1	45	0.0	-53.60	345.95	2.59	-51.01
CC1=[NH+]C=C2CCC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)CN21	REAL300019790049	1	45	0.0	-53.62	346.01	2.60	-51.02
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790056	0	56	0.0	-66.61	421.43	5.97	-60.64
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790056	1	56	0.0	-67.72	421.97	6.00	-61.72
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790056	1	56	0.0	-66.61	421.49	5.97	-60.64
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790056	1	56	0.0	-67.73	422.03	6.01	-61.72
CCN1CCC([NH+]2CCC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)CC2)CC1	REAL300019790060	0	61	0.0	-63.51	431.74	2.83	-60.68
CCN1CCC([NH+]2CCC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)CC2)CC1	REAL300019790060	1	61	0.0	-63.49	431.80	2.83	-60.66
C[NH+](C)CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019790102	0	45	0.0	-67.07	351.07	1.22	-65.85
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790113	1	38	0.0	-60.69	312.65	3.34	-57.35
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791636	0	57	0.0	-65.19	422.25	6.24	-58.95
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791636	1	57	0.0	-63.68	422.11	6.22	-57.46
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791636	1	57	0.0	-65.20	422.32	6.24	-58.96
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791636	1	57	0.0	-63.67	422.18	6.22	-57.45
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791657	1	42	0.0	-53.49	331.48	0.66	-52.83
O=C(C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791658	1	50	0.0	-57.79	391.51	4.64	-53.15
O=C(C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791658	1	50	0.0	-58.34	395.24	5.01	-53.33
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791739	0	47	0.0	-60.89	345.87	0.50	-60.39
C[N@H+]1CCCC(O)(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791739	1	47	0.0	-62.17	336.10	0.28	-61.89
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791739	1	47	0.0	-60.95	345.94	0.50	-60.45
C[N@H+]1CCCC(O)(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791739	1	47	0.0	-62.20	336.17	0.29	-61.91
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791895	1	54	0.0	-57.73	414.28	1.75	-55.98
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791895	1	54	0.0	-63.52	421.78	1.54	-61.98
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL300019791896	1	51	0.0	-61.85	400.48	-0.80	-62.65
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL300019791896	1	51	0.0	-61.34	394.58	-0.42	-61.76
C[NH+](C)CCSC1=NC(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CS1	REAL300019792033	0	49	0.0	-73.57	407.85	2.69	-70.88
C[NH+](C)CCSC1=NC(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CS1	REAL300019792033	1	49	0.0	-73.59	407.92	2.70	-70.89
C[NH+](C)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)COC2=CC=CC=C2C1	REAL300019792036	1	51	0.0	-65.02	361.74	3.07	-61.95
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019792150	0	49	0.0	-65.35	378.93	4.04	-61.31
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019792150	1	49	0.0	-65.37	378.99	4.05	-61.32
O=C(CC[N@@H+]1CCC(F)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792167	0	43	0.0	-64.24	332.77	1.85	-62.39
O=C(CC[N@H+]1CCC(F)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792167	1	43	0.0	-67.34	332.50	1.82	-65.52
O=C(CC[N@@H+]1CCC(F)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792167	1	43	0.0	-64.26	332.84	1.85	-62.41
O=C(CC[N@H+]1CCC(F)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792167	1	43	0.0	-67.35	332.57	1.82	-65.53
C[NH+](C)CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019792177	1	43	0.0	-66.84	340.15	1.88	-64.96
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019792178	0	49	0.0	-53.44	347.80	2.80	-50.64
CC(C)[N@H+]1CCCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019792178	1	49	0.0	-58.11	356.91	2.73	-55.38
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019792178	1	49	0.0	-53.41	347.87	2.80	-50.61
CC(C)[N@H+]1CCCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019792178	1	49	0.0	-58.10	356.97	2.74	-55.36
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792179	1	47	0.0	-67.16	365.53	2.99	-64.17
CCC[N@@H+]1CCCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019792181	0	49	0.0	-52.90	353.61	3.10	-49.80
CCC[N@H+]1CCCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019792181	1	49	0.0	-60.94	361.54	2.94	-58.00
CCC[N@@H+]1CCCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019792181	1	49	0.0	-52.96	353.67	3.10	-49.86
CCC[N@H+]1CCCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019792181	1	49	0.0	-60.99	361.61	2.94	-58.05
C[N@@H+]1CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(C(F)(F)F)C1	REAL300019792182	0	43	0.0	-61.32	330.25	1.17	-60.15
C[N@H+]1CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(C(F)(F)F)C1	REAL300019792182	1	43	0.0	-68.70	337.96	1.54	-67.16
C[N@@H+]1CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(C(F)(F)F)C1	REAL300019792182	1	43	0.0	-61.29	330.32	1.18	-60.11
C[N@H+]1CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(C(F)(F)F)C1	REAL300019792182	1	43	0.0	-68.73	338.02	1.54	-67.19
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019794430	0	50	0.0	-68.68	385.98	3.00	-65.68
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019794430	1	50	0.0	-68.71	386.04	3.01	-65.70
COC(=O)CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300019794476	0	52	0.0	-49.29	379.67	2.77	-46.52
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794622	0	56	0.0	-64.77	418.12	6.01	-58.76
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794622	1	56	0.0	-64.79	418.18	6.01	-58.78
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C2)CCO1	REAL300019794623	1	54	0.0	-71.01	409.38	3.38	-67.63
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C=C2)CCO1	REAL300019794623	1	54	0.0	-72.53	410.55	3.41	-69.12
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019794708	0	49	0.0	-59.46	346.99	2.45	-57.01
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019794708	1	49	0.0	-59.43	347.06	2.46	-56.97
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019794791	0	52	0.0	-54.28	369.07	3.49	-50.79
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019794791	1	52	0.0	-57.58	378.21	3.58	-54.00
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019794791	1	52	0.0	-54.28	369.07	3.49	-50.79
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019794791	1	52	0.0	-57.58	378.21	3.58	-54.00
CC[N@@H+]1CCCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019794792	0	46	0.0	-60.16	340.09	2.21	-57.95
CC[N@H+]1CCCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019794792	1	46	0.0	-59.02	332.34	2.35	-56.67
CC[N@@H+]1CCCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019794792	1	46	0.0	-60.16	340.09	2.21	-57.95
CC[N@H+]1CCCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019794792	1	46	0.0	-59.02	332.34	2.35	-56.67
C[N@@H+]1CCN(CCNC(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL300019794859	0	49	0.0	-64.74	360.07	2.07	-62.67
C[N@H+]1CCN(CCNC(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL300019794859	1	49	0.0	-66.98	362.58	2.24	-64.74
C[N@@H+]1CCN(CCNC(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL300019794859	1	49	0.0	-64.74	360.07	2.07	-62.67
C[N@H+]1CCN(CCNC(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL300019794859	1	49	0.0	-66.98	362.58	2.24	-64.74
C[N@@H+]1CCN(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1(C)C	REAL300019794860	0	52	0.0	-73.32	388.05	5.26	-68.06
C[N@H+]1CCN(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1(C)C	REAL300019794860	1	52	0.0	-71.97	386.87	5.13	-66.84
C[N@@H+]1CCN(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300019794861	0	49	0.0	-57.58	374.34	2.18	-55.40
C[N@H+]1CCN(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300019794861	1	49	0.0	-57.13	373.18	2.03	-55.10
C[N@@H+]1CCN(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300019794861	1	49	0.0	-57.58	374.34	2.18	-55.40
C[N@H+]1CCN(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300019794861	1	49	0.0	-57.13	373.18	2.03	-55.10
CN1[N-]C(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=NC1=[NH2+]	REAL300019794891	0	44	0.0	-70.35	350.83	5.17	-65.18
CN1[N-]C(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=NC1=[NH2+]	REAL300019794891	1	44	0.0	-70.36	350.89	5.18	-65.18
CN1NC(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=NC1=[NH2+]	REAL300019794891	1	44	0.0	-70.35	350.83	5.17	-65.18
CN1NC(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=NC1=[NH2+]	REAL300019794891	1	44	0.0	-70.36	350.89	5.18	-65.18
CN1[N-]C(C2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)=NC1=[NH2+]	REAL300019794892	0	47	0.0	-74.65	373.66	7.70	-66.95
CN1NC(C2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)=NC1=[NH2+]	REAL300019794892	1	47	0.0	-74.65	373.66	7.70	-66.95
CN1[N-]C(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=NC1=[NH2+]	REAL300019794893	0	44	0.0	-56.68	358.53	5.39	-51.29
CN1[N-]C(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=NC1=[NH2+]	REAL300019794893	1	44	0.0	-56.71	358.60	5.42	-51.29
CN1NC(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=NC1=[NH2+]	REAL300019794893	1	44	0.0	-56.68	358.53	5.39	-51.29
CN1NC(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=NC1=[NH2+]	REAL300019794893	1	44	0.0	-56.71	358.60	5.42	-51.29
C[NH+](C)CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300019794935	0	44	0.0	-64.37	365.44	6.46	-57.91
C[NH+](C)CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300019794935	1	44	0.0	-64.39	365.50	6.48	-57.91
C[NH+](C)CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1	REAL300019794936	0	47	0.0	-66.19	391.60	9.03	-57.16
C[NH+](C)CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1	REAL300019794936	1	47	0.0	-65.95	391.69	9.04	-56.91
C[NH+](C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300019794937	0	44	0.0	-58.45	378.73	5.96	-52.49
C[NH+](C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300019794937	1	44	0.0	-58.45	378.80	5.96	-52.49
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300019795014	1	52	0.0	-69.77	390.21	7.51	-62.26
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@H](CN2CCOCC2)C1	REAL300019795015	0	49	0.0	-60.63	373.24	5.25	-55.38
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300019795015	1	49	0.0	-60.63	373.24	5.25	-55.38
CC1=NC=CN1CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019795031	0	42	0.0	-71.80	350.10	6.99	-64.81
CC1=[NH+]C=CN1CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795031	1	42	0.0	-71.80	350.10	6.99	-64.81
CC1=NC=CN1CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795032	0	39	0.0	-55.32	336.39	3.89	-51.43
CC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795032	1	39	0.0	-55.32	336.39	3.89	-51.43
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300019795046	0	52	0.0	-74.30	404.58	4.46	-69.84
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300019795046	1	52	0.0	-74.29	404.64	4.47	-69.82
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795047	1	52	0.0	-65.43	415.56	5.21	-60.22
CN(CCC[NH+]1CCCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795053	0	47	0.0	-67.35	363.19	8.33	-59.02
CN(CCC[NH+]1CCCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019795053	1	47	0.0	-69.13	363.22	8.39	-60.74
CN(CCC[NH+]1CCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795054	0	44	0.0	-57.96	350.37	6.24	-51.72
CN(CCC[NH+]1CCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795054	1	44	0.0	-57.93	350.43	6.25	-51.68
C[NH+]1CCC2(CCCN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300019795138	0	48	0.0	-69.40	346.98	6.37	-63.03
C[NH+]1CCC2(CCCN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300019795138	1	48	0.0	-69.40	347.04	6.38	-63.02
C[NH+]1CCC2(CCCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)CC1	REAL300019795139	0	51	0.0	-62.65	369.85	8.99	-53.66
C[NH+]1CCC2(CCCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)CC1	REAL300019795139	1	51	0.0	-62.44	369.95	9.00	-53.44
C[NH+]1CCC2(CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300019795140	0	48	0.0	-60.49	354.63	6.60	-53.89
C[NH+]1CCC2(CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300019795140	1	48	0.0	-60.51	354.70	6.60	-53.91
CC1(C)CCC[N@H+](CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019795172	0	50	0.0	-73.47	377.52	7.64	-65.83
CC1(C)CCC[N@@H+](CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019795172	1	50	0.0	-73.42	377.46	7.65	-65.77
CC1(C)CCC[N@H+](CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019795172	1	50	0.0	-73.47	377.52	7.64	-65.83
CC1(C)CCC[N@@H+](CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019795172	1	50	0.0	-73.42	377.46	7.65	-65.77
CC1(C)CCC[N@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019795173	0	47	0.0	-58.18	363.63	4.53	-53.65
CC1(C)CCC[N@@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019795173	1	47	0.0	-58.19	363.67	4.53	-53.66
CC1(C)CCC[N@H+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019795173	1	47	0.0	-58.18	363.63	4.53	-53.65
CC1(C)CCC[N@@H+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019795173	1	47	0.0	-58.19	363.67	4.53	-53.66
CC1=CN=CC=C1OC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019795194	0	46	0.0	-75.14	362.03	5.49	-69.65
CC1=C[NH+]=CC=C1OC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019795194	1	46	0.0	-75.14	362.03	5.49	-69.65
CC1=CN=CC=C1OC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019795196	0	46	0.0	-59.35	369.76	5.72	-53.63
CC1=C[NH+]=CC=C1OC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019795196	1	46	0.0	-59.35	369.76	5.72	-53.63
C[NH+](C)CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC1	REAL300019795200	0	44	0.0	-65.16	338.74	6.52	-58.64
C[NH+](C)CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCC1	REAL300019795200	1	44	0.0	-64.94	338.82	6.52	-58.42
C[NH+](C)CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300019795201	0	41	0.0	-56.25	324.48	3.39	-52.86
C[NH+](C)CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300019795201	1	41	0.0	-56.27	324.55	3.39	-52.88
CCC(CC)(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019800101	0	57	0.0	-64.35	430.92	9.93	-54.42
CCC(CC)(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019800101	1	57	0.0	-64.01	430.06	10.05	-53.96
CCC(CC)(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019800101	1	57	0.0	-64.35	430.98	9.95	-54.40
CCC(CC)(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019800101	1	57	0.0	-64.02	430.13	10.05	-53.97
CCC(CC)(NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=N[N-]N=N1	REAL300019800140	0	50	0.0	-49.50	361.39	6.69	-42.81
CCC(CC)(NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=NN=N[N-]1	REAL300019800140	1	50	0.0	-49.50	361.45	6.70	-42.80
CCC(CC)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL300019801835	0	58	0.0	-57.33	421.04	8.87	-48.46
CCC(CC)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL300019801835	1	58	0.0	-57.53	420.74	8.87	-48.66
CCC(CC)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL300019801835	1	58	0.0	-57.35	420.98	8.87	-48.48
CCC(CC)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL300019801835	1	58	0.0	-57.60	420.68	8.86	-48.74
CCC(CC)(NC(=O)C1=CC=C(C)[NH+]=C1NC)C1=NN=N[N-]1	REAL300019801850	1	43	0.0	-44.73	325.42	3.94	-40.79
CCC(CC)(NC(=O)CC1(O)CCC[N@H+](C)C1)C1=N[N-]N=N1	REAL300019801915	0	48	0.0	-51.06	346.38	3.06	-48.00
CCC(CC)(NC(=O)CC1(O)CCC[N@@H+](C)C1)C1=N[N-]N=N1	REAL300019801915	1	48	0.0	-51.71	336.69	2.86	-48.85
CCC(CC)(NC(=O)CC1(O)CCC[N@H+](C)C1)C1=NN=N[N-]1	REAL300019801915	1	48	0.0	-51.15	346.44	3.07	-48.08
CCC(CC)(NC(=O)CC1(O)CCC[N@@H+](C)C1)C1=NN=N[N-]1	REAL300019801915	1	48	0.0	-51.78	336.75	2.88	-48.90
CCC(CC)(NC(=O)C1=NN(C)C=C1C[N@@H+]1CCC(OC)C1)C1=NN=N[N-]1	REAL300019802045	1	55	0.0	-56.06	415.38	4.54	-51.52
CCC(CC)(NC(=O)C1=NN(C)C=C1C[N@H+]1CCC(OC)C1)C1=NN=N[N-]1	REAL300019802045	1	55	0.0	-56.83	416.63	4.39	-52.44
CCC(CC)(NC(=O)C1=NN(C)C=C1C[N@@H+]1CCC(O)C1)C1=NN=N[N-]1	REAL300019802046	1	52	0.0	-56.46	393.40	2.20	-54.26
CCC(CC)(NC(=O)C1=NN(C)C=C1C[N@H+]1CCC(O)C1)C1=NN=N[N-]1	REAL300019802046	1	52	0.0	-58.03	395.58	2.10	-55.93
CCC(CC)(NC(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=NN=N[N-]1	REAL300019802047	0	59	0.0	-64.02	437.20	4.14	-59.88
CCC(CC)(NC(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=N[N-]N=N1	REAL300019802047	1	59	0.0	-63.99	437.13	4.14	-59.85
CCC(CC)(NC(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=N[N-]N=N1	REAL300019802157	0	50	0.0	-67.52	405.52	5.48	-62.04
CCC(CC)(NC(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=NN=N[N-]1	REAL300019802157	1	50	0.0	-67.54	405.59	5.49	-62.05
CCC(CC)(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019804032	0	51	0.0	-60.98	383.99	6.13	-54.85
CCC(CC)(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019804032	1	51	0.0	-61.03	384.06	6.15	-54.88
CCC(CC)(NC(=O)C(CC(=O)OC)[NH+]1CCCCC1)C1=NN=N[N-]1	REAL300019804072	1	53	0.0	-43.10	381.43	5.76	-37.34
O=C(NCC1CCCC[N@@H+]1C1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804387	0	48	0.0	-70.58	364.19	7.52	-63.06
O=C(NCC1CCCC[N@H+]1C1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804387	1	48	0.0	-71.35	363.63	7.49	-63.86
O=C(NCC1CCCC[N@@H+]1C1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019804387	1	48	0.0	-70.32	364.27	7.53	-62.79
O=C(NCC1CCCC[N@H+]1C1CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019804387	1	48	0.0	-71.15	363.74	7.48	-63.67
O=C(NCC1CCCC[N@@H+]1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804388	0	45	0.0	-54.83	357.06	4.70	-50.13
O=C(NCC1CCCC[N@H+]1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804388	1	45	0.0	-54.82	357.06	4.69	-50.13
O=C(NCC1CCCC[N@@H+]1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804388	1	45	0.0	-54.82	356.99	4.69	-50.13
O=C(NCC1CCCC[N@H+]1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804388	1	45	0.0	-54.82	356.99	4.69	-50.13
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019804400	0	54	0.0	-63.96	409.68	8.70	-55.26
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019804400	1	54	0.0	-63.99	409.74	8.71	-55.28
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019804401	0	54	0.0	-52.45	421.38	8.55	-43.90
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019804401	1	54	0.0	-52.42	421.44	8.56	-43.86
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([N@@H+]2CCC(O)C2)C1	REAL300019804414	0	46	0.0	-79.30	357.00	4.21	-75.09
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([N@H+]2CCC(O)C2)C1	REAL300019804414	1	46	0.0	-77.74	357.28	4.18	-73.56
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([N@@H+]2CCC(O)C2)C1	REAL300019804415	0	43	0.0	-62.79	345.06	1.98	-60.81
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([N@H+]2CCC(O)C2)C1	REAL300019804415	1	43	0.0	-61.19	345.28	1.99	-59.20
C[NH+](C)CC(CO)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804419	0	41	0.0	-71.63	330.44	2.62	-69.01
C[NH+](C)CC(CO)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019804419	1	41	0.0	-71.44	330.51	2.64	-68.80
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804437	0	46	0.0	-71.86	354.63	7.06	-64.80
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804437	1	46	0.0	-73.16	350.80	7.61	-65.55
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019804437	1	46	0.0	-71.64	354.73	7.08	-64.56
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019804437	1	46	0.0	-72.94	350.87	7.62	-65.32
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804438	0	43	0.0	-55.23	340.85	3.92	-51.31
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804438	1	43	0.0	-54.95	337.03	4.47	-50.48
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804438	1	43	0.0	-55.25	340.92	3.95	-51.30
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804438	1	43	0.0	-54.91	337.11	4.49	-50.42
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[N@H+](C)C1	REAL300019804440	0	48	0.0	-52.12	363.15	7.18	-44.94
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[N@@H+](C)C1	REAL300019804440	1	48	0.0	-65.79	364.42	5.89	-59.90
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N@H+](C)C1	REAL300019804441	0	45	0.0	-50.56	356.23	4.60	-45.96
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N@@H+](C)C1	REAL300019804441	1	45	0.0	-58.50	353.15	3.91	-54.59
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804463	0	48	0.0	-62.64	356.72	8.33	-54.31
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019804463	1	48	0.0	-62.51	356.81	8.33	-54.18
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804464	0	45	0.0	-59.99	347.42	5.95	-54.04
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804464	1	45	0.0	-59.97	347.35	5.94	-54.03
CCC[N@@H+]1CCC[C@H]1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804514	0	47	0.0	-72.79	363.32	7.65	-65.14
CCC[N@H+]1CCC[C@H]1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804514	1	47	0.0	-72.43	361.32	6.85	-65.58
CCC[N@@H+]1CCC[C@H]1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019804514	1	47	0.0	-73.23	363.79	7.63	-65.60
CCC[N@H+]1CCC[C@H]1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019804514	1	47	0.0	-71.96	361.21	6.84	-65.12
CCC[N@@H+]1CCC[C@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804515	0	44	0.0	-54.26	351.05	4.52	-49.74
CCC[N@H+]1CCC[C@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804515	1	44	0.0	-57.55	347.45	3.72	-53.83
CCC[N@@H+]1CCC[C@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804515	1	44	0.0	-54.22	350.98	4.51	-49.71
CCC[N@H+]1CCC[C@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804515	1	44	0.0	-57.59	347.38	3.71	-53.88
C[NH+](C)CC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300019804598	0	47	0.0	-74.89	382.52	7.70	-67.19
C[NH+](C)CC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300019804598	1	47	0.0	-74.87	382.58	7.71	-67.16
C[NH+](C)CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1	REAL300019804599	0	50	0.0	-84.46	413.12	9.53	-74.93
C[NH+](C)CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1	REAL300019804599	1	50	0.0	-84.26	413.21	9.55	-74.71
C[NH+](C)CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300019804600	0	47	0.0	-61.37	399.22	6.43	-54.94
C[NH+](C)CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300019804600	1	47	0.0	-61.37	399.29	6.43	-54.94
COCC[NH+](CCOC)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019804613	0	55	0.0	-69.80	402.34	4.46	-65.34
COCC[NH+](CCOC)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019804613	1	55	0.0	-69.79	402.40	4.47	-65.32
COCC[NH+](CCOC)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019804614	0	55	0.0	-56.53	414.23	4.28	-52.25
COCC[NH+](CCOC)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019804614	1	55	0.0	-56.51	414.30	4.28	-52.23
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019804631	1	54	0.0	-75.15	414.86	5.22	-69.93
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019804632	1	54	0.0	-63.76	425.66	5.01	-58.75
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1CC1=CC=CC=C1	REAL300019804641	1	48	0.0	-73.13	361.42	7.24	-65.89
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1CC1=CC=CC=C1	REAL300019804641	1	48	0.0	-73.10	361.50	7.24	-65.86
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1CC1=CC=CC=C1	REAL300019804641	1	48	0.0	-73.13	361.48	7.26	-65.87
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1CC1=CC=CC=C1	REAL300019804641	1	48	0.0	-73.06	361.56	7.26	-65.80
C[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1CC1=CC=CC=C1	REAL300019804642	1	51	0.0	-82.47	393.69	9.97	-72.50
C[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1CC1=CC=CC=C1	REAL300019804642	1	51	0.0	-88.37	392.96	10.02	-78.35
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1CC1=CC=CC=C1	REAL300019804643	1	48	0.0	-57.81	369.07	7.49	-50.32
C[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1CC1=CC=CC=C1	REAL300019804643	1	48	0.0	-57.64	369.09	7.47	-50.17
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)CCCC1=NN=N[N-]1)C2	REAL300019804663	0	52	0.0	-76.84	378.82	5.30	-71.54
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019804664	0	55	0.0	-83.75	402.86	8.12	-75.63
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019804665	0	52	0.0	-62.57	389.80	5.10	-57.47
CCN(CC[NH+]1CCCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL300019804666	0	50	0.0	-63.57	366.84	6.86	-56.71
CCN(CC[NH+]1CCCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL300019804666	1	50	0.0	-63.55	366.90	6.88	-56.67
CCN(CC[NH+]1CCCCCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804667	0	53	0.0	-60.54	386.72	9.33	-51.21
CCN(CC[NH+]1CCCCCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019804667	1	53	0.0	-60.40	386.81	9.33	-51.07
CCN(CC[NH+]1CCCCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804668	0	50	0.0	-57.98	373.19	7.59	-50.39
CCN(CC[NH+]1CCCCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804668	1	50	0.0	-57.97	373.12	7.58	-50.39
CC[NH+](CC)CCOC(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019804678	0	53	0.0	-75.32	421.75	7.69	-67.63
CC[NH+](CC)CCOC(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019804678	1	53	0.0	-75.34	421.81	7.72	-67.62
CC1=CC=C(C[N@H+]2CCC(CN(C)C(=O)CCCC3=N[N-]N=N3)C2)S1	REAL300019804679	0	51	0.0	-68.96	409.50	8.41	-60.55
CC1=CC=C(C[N@@H+]2CCC(CN(C)C(=O)CCCC3=N[N-]N=N3)C2)S1	REAL300019804679	1	51	0.0	-65.72	406.94	8.46	-57.26
CC1=CC=C(C[N@H+]2CCC(CN(C)C(=O)CCCC3=NN=N[N-]3)C2)S1	REAL300019804679	1	51	0.0	-69.00	409.55	8.42	-60.58
CC1=CC=C(C[N@@H+]2CCC(CN(C)C(=O)CCCC3=NN=N[N-]3)C2)S1	REAL300019804679	1	51	0.0	-65.79	407.00	8.47	-57.32
CC1=CC=C(C[N@H+]2CCC(CN(C)C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)S1	REAL300019804680	0	51	0.0	-61.47	415.37	8.80	-52.67
CC1=CC=C(C[N@@H+]2CCC(CN(C)C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)S1	REAL300019804680	1	51	0.0	-59.83	414.84	8.86	-50.97
CN1CCC([NH+]2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2)C1=O	REAL300019804690	1	49	0.0	-77.78	377.60	3.50	-74.28
CN1CCC([NH+]2CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C1=O	REAL300019804691	0	52	0.0	-83.80	401.86	6.42	-77.38
CN1CCC([NH+]2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C1=O	REAL300019804692	1	49	0.0	-66.90	388.20	3.29	-63.61
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL300019804795	0	47	0.0	-69.18	375.85	6.52	-62.66
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL300019804795	1	47	0.0	-68.43	374.79	6.43	-62.00
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804796	0	50	0.0	-71.55	396.29	9.01	-62.54
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804796	1	50	0.0	-70.61	395.24	8.91	-61.70
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804797	0	47	0.0	-62.50	383.54	6.93	-55.57
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804797	1	47	0.0	-62.70	382.46	6.83	-55.87
O=C(CCCC1=NN=N[N-]1)NCC([NH2+]CC1=CC=CC=C1)C1=CC=CO1	REAL300019804824	1	48	0.0	-76.34	398.02	5.60	-70.74
O=C(NCC([NH2+]CC1=CC=CC=C1)C1=CC=CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804825	1	48	0.0	-60.90	408.61	5.39	-55.51
CCC[N@H+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300019804870	0	50	0.0	-71.85	404.37	7.30	-64.55
CCC[N@@H+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300019804870	1	50	0.0	-73.84	402.61	8.21	-65.63
CCC[N@H+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300019804870	1	50	0.0	-71.91	404.43	7.31	-64.60
CCC[N@@H+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300019804870	1	50	0.0	-73.88	402.67	8.23	-65.65
CCC[N@H+](C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300019804871	0	50	0.0	-63.70	414.96	7.08	-56.62
CCC[N@@H+](C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300019804871	1	50	0.0	-58.93	402.26	6.89	-52.04
CCC[N@H+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300019804871	1	50	0.0	-63.77	415.03	7.09	-56.68
CCC[N@@H+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300019804871	1	50	0.0	-58.90	402.33	6.89	-52.01
CCCN(CC[NH+]1CCCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804872	0	50	0.0	-64.60	380.17	9.10	-55.50
CCCN(CC[NH+]1CCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804873	0	47	0.0	-51.70	368.99	7.41	-44.29
CCCN(CC[NH+]1CCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804873	1	47	0.0	-51.71	369.06	7.41	-44.30
CC1CC([NH+]2CCCC2)CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804926	0	48	0.0	-62.34	363.13	8.28	-54.06
CC1CC([NH+]2CCCC2)CN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019804926	1	48	0.0	-62.16	363.23	8.29	-53.87
CC1CC([NH+]2CCCC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804927	0	45	0.0	-58.14	351.24	6.11	-52.03
CC1CC([NH+]2CCCC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804927	1	45	0.0	-58.18	351.17	6.10	-52.08
C[NH+]1CCC(OC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019804944	0	52	0.0	-76.42	408.83	6.09	-70.33
C[NH+]1CCC(OC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019804944	1	52	0.0	-76.44	408.89	6.10	-70.34
C[NH+]1CCC(OC2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019804945	0	52	0.0	-63.78	419.42	5.88	-57.90
C[NH+]1CCC(OC2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019804945	1	52	0.0	-63.75	419.49	5.88	-57.87
O=C(CCCC1=N[N-]N=N1)N1CCN(C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300019804954	0	57	0.0	-77.15	430.49	7.18	-69.97
O=C(CCCC1=N[N-]N=N1)N1CCN(C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300019804954	1	57	0.0	-78.20	427.24	6.93	-71.27
O=C(CCCC1=NN=N[N-]1)N1CCN(C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300019804954	1	57	0.0	-77.16	430.54	7.20	-69.96
O=C(CCCC1=NN=N[N-]1)N1CCN(C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300019804954	1	57	0.0	-78.15	427.30	6.94	-71.21
CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300019805004	0	56	0.0	-71.09	430.10	6.91	-64.18
CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300019805004	1	56	0.0	-71.09	430.16	6.92	-64.17
COC1=CC=C(C(C[NH+](C)C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019805044	0	48	0.0	-62.93	380.41	4.90	-58.03
COC1=CC=C(C(C[NH+](C)C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019805044	1	48	0.0	-62.92	380.47	4.91	-58.01
COC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019805045	0	51	0.0	-71.36	406.29	8.45	-62.91
COC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019805045	1	51	0.0	-70.80	406.14	8.47	-62.33
COC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019805046	0	48	0.0	-57.75	390.22	5.33	-52.42
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C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019805050	0	45	0.0	-77.65	363.06	6.82	-70.83
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019805050	1	45	0.0	-77.63	362.94	6.81	-70.82
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019805050	1	45	0.0	-77.64	363.12	6.83	-70.81
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019805050	1	45	0.0	-77.60	363.00	6.83	-70.77
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C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019805052	1	45	0.0	-63.58	370.88	6.74	-56.84
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019805052	1	45	0.0	-63.59	371.07	6.76	-56.83
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019805052	1	45	0.0	-63.55	370.95	6.76	-56.79
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300019805053	0	52	0.0	-75.50	402.32	8.43	-67.07
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300019805053	1	52	0.0	-75.91	401.39	8.38	-67.53
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O=C(CCCC1=NN=N[N-]1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300019805053	1	52	0.0	-75.92	401.45	8.40	-67.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300019805054	0	52	0.0	-65.85	408.84	8.62	-57.23
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300019805054	1	52	0.0	-65.96	408.74	8.65	-57.31
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300019805054	1	52	0.0	-65.84	408.91	8.63	-57.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300019805054	1	52	0.0	-65.98	408.81	8.66	-57.32
CC[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)C1	REAL300019805077	1	44	0.0	-77.16	330.41	7.22	-69.94
CC[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)C1	REAL300019805077	1	44	0.0	-60.29	334.14	7.37	-52.92
CC[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1	REAL300019805078	1	41	0.0	-57.15	317.46	5.16	-51.99
CC[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1	REAL300019805078	1	41	0.0	-56.90	317.34	5.15	-51.75
CC[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1	REAL300019805078	1	41	0.0	-57.17	317.39	5.16	-52.01
CC[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1	REAL300019805078	1	41	0.0	-56.92	317.28	5.15	-51.77
O=C(NC(CO)C[NH+]1CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019805086	0	48	0.0	-71.98	371.10	4.49	-67.49
O=C(NC(CO)C[NH+]1CCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019805086	1	48	0.0	-70.54	371.67	4.52	-66.02
O=C(NC(CO)C[NH+]1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019805087	0	45	0.0	-55.37	358.14	1.44	-53.93
O=C(NC(CO)C[NH+]1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019805087	1	45	0.0	-55.32	358.07	1.44	-53.88
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019805088	0	45	0.0	-77.65	363.06	6.82	-70.83
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019805088	1	45	0.0	-77.63	362.94	6.81	-70.82
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019805088	1	45	0.0	-77.64	363.12	6.83	-70.81
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019805088	1	45	0.0	-77.60	363.00	6.83	-70.77
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019805089	0	48	0.0	-84.46	383.28	9.28	-75.18
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019805089	1	48	0.0	-85.72	383.35	9.28	-76.44
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019805090	0	45	0.0	-63.64	371.00	6.75	-56.89
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019805090	1	45	0.0	-63.58	370.88	6.74	-56.84
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019805090	1	45	0.0	-63.59	371.07	6.76	-56.83
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019805090	1	45	0.0	-63.55	370.95	6.76	-56.79
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC2CCC(C1)[NH+]2C	REAL300019805096	0	48	0.0	-57.39	328.07	7.22	-50.17
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC2CCC(C1)[NH+]2C	REAL300019805096	1	48	0.0	-57.15	328.17	7.22	-49.93
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC2CCC(C1)[NH+]2C	REAL300019805097	0	45	0.0	-54.88	313.41	5.09	-49.79
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC2CCC(C1)[NH+]2C	REAL300019805097	1	45	0.0	-54.86	313.50	5.11	-49.75
CCCN(CC[NH+]1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL300019805098	0	50	0.0	-63.01	373.84	7.26	-55.75
CCCN(CC[NH+]1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL300019805098	1	50	0.0	-63.09	373.90	7.27	-55.82
CCCN(CC[NH+]1CCCCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019805099	0	53	0.0	-84.86	396.68	9.67	-75.19
CCCN(CC[NH+]1CCCCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019805099	1	53	0.0	-85.55	395.82	9.82	-75.73
CCCN(CC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019805100	0	50	0.0	-51.75	384.74	8.12	-43.63
CCCN(CC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019805100	1	50	0.0	-51.79	384.66	8.12	-43.67
C[N@@H+]1CCC(OC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C1	REAL300019805121	0	49	0.0	-74.80	374.97	5.33	-69.47
C[N@H+]1CCC(OC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C1	REAL300019805121	1	49	0.0	-73.95	371.53	5.25	-68.70
C[N@@H+]1CCC(OC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL300019805121	1	49	0.0	-74.81	375.03	5.34	-69.47
C[N@H+]1CCC(OC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL300019805121	1	49	0.0	-74.03	371.59	5.26	-68.77
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C1	REAL300019805122	0	52	0.0	-79.86	397.65	7.89	-71.97
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C1	REAL300019805122	1	52	0.0	-79.32	394.93	7.81	-71.51
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C1	REAL300019805123	0	49	0.0	-61.44	378.53	5.44	-56.00
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C1	REAL300019805123	1	49	0.0	-61.58	378.47	5.46	-56.12
O=C(CCCC1=N[N-]N=N1)N1CCCC([NH+]2CCOCC2)CC1	REAL300019805136	0	49	0.0	-70.53	355.28	4.91	-65.62
O=C(CCCC1=NN=N[N-]1)N1CCCC([NH+]2CCOCC2)CC1	REAL300019805136	1	49	0.0	-70.58	355.34	4.92	-65.66
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC([NH+]2CCOCC2)CC1	REAL300019805137	0	52	0.0	-85.64	372.42	7.27	-78.37
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC([NH+]2CCOCC2)CC1	REAL300019805138	1	49	0.0	-56.48	362.84	5.58	-50.90
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300019805162	0	47	0.0	-67.79	373.38	5.97	-61.82
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300019805162	1	47	0.0	-67.73	373.32	5.96	-61.77
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300019805163	0	47	0.0	-54.76	381.01	6.22	-48.54
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300019805163	1	47	0.0	-54.89	381.34	6.16	-48.73
C[NH+]1CCC(N(CC(O)CC(C)(C)C)C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019805174	0	60	0.0	-63.99	435.17	6.17	-57.82
C[NH+]1CCC(N(CC(O)CC(C)(C)C)C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019805174	1	60	0.0	-64.04	435.23	6.18	-57.86
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019814694	0	43	0.0	-58.40	332.67	3.47	-54.93
C[N@H+]1CCCC(O)(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019814694	1	43	0.0	-58.08	341.61	3.65	-54.43
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019814694	1	43	0.0	-58.37	332.73	3.47	-54.90
C[N@H+]1CCCC(O)(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019814694	1	43	0.0	-58.03	341.68	3.64	-54.39
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL300019814845	1	47	0.0	-55.43	391.01	2.65	-52.78
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL300019814845	1	47	0.0	-59.41	391.64	2.64	-56.77
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019815091	0	45	0.0	-68.22	372.17	7.76	-60.46
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019815091	1	45	0.0	-68.17	372.23	7.74	-60.43
O=C(CC[N@H+]1CCC(F)C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815108	1	39	0.0	-65.36	326.75	5.21	-60.15
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815108	1	39	0.0	-69.17	327.01	5.23	-63.94
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019815117	1	39	0.0	-73.06	335.06	5.14	-67.92
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019815118	0	45	0.0	-55.04	344.01	6.39	-48.65
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019815118	1	45	0.0	-55.08	344.00	6.39	-48.69
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019815118	1	45	0.0	-55.07	343.94	6.40	-48.67
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019815118	1	45	0.0	-55.06	343.93	6.40	-48.66
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C[NH+]2CCCC2)O1	REAL300019815119	1	43	0.0	-71.85	361.50	6.35	-65.50
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019815121	0	45	0.0	-55.34	348.85	6.62	-48.72
CCC[N@H+]1CCCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019815121	1	45	0.0	-55.35	348.83	6.62	-48.73
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019815121	1	45	0.0	-55.37	348.79	6.63	-48.74
CCC[N@H+]1CCCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019815121	1	45	0.0	-55.37	348.77	6.63	-48.74
C[N@@H+]1CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C(C(F)(F)F)C1	REAL300019815122	0	39	0.0	-66.53	326.84	5.10	-61.43
C[N@H+]1CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C(C(F)(F)F)C1	REAL300019815122	1	39	0.0	-68.62	327.23	5.17	-63.45
CC(CC[NH+](C)C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019815123	0	41	0.0	-64.70	331.35	5.28	-59.42
CC(CC[NH+](C)C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815123	1	41	0.0	-64.65	331.41	5.29	-59.36
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019817276	0	46	0.0	-74.03	379.19	6.69	-67.34
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019817276	1	46	0.0	-74.07	379.26	6.69	-67.38
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019817457	0	52	0.0	-65.82	411.22	9.37	-56.45
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019817457	1	52	0.0	-65.86	412.12	9.35	-56.51
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019817528	0	39	0.0	-65.62	322.09	5.15	-60.47
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019817528	1	39	0.0	-65.66	322.15	5.14	-60.52
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019817539	0	45	0.0	-60.21	344.85	6.13	-54.08
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019817539	1	45	0.0	-60.18	344.92	6.12	-54.06
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019817623	0	48	0.0	-63.27	372.74	7.13	-56.14
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019817623	1	48	0.0	-57.21	364.66	7.31	-49.90
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019817623	1	48	0.0	-63.27	372.74	7.13	-56.14
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019817623	1	48	0.0	-57.21	364.66	7.31	-49.90
CC[N@@H+]1CCCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019817624	0	42	0.0	-62.05	334.07	5.70	-56.35
CC[N@H+]1CCCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019817624	1	42	0.0	-62.01	334.82	5.69	-56.32
CC[N@@H+]1CCCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019817624	1	42	0.0	-62.05	334.07	5.70	-56.35
CC[N@H+]1CCCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019817624	1	42	0.0	-62.01	334.82	5.69	-56.32
C[N@@H+]1CC2CCC1C(CNC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019817644	0	48	0.0	-78.26	359.22	7.08	-71.18
C[N@H+]1CC2CCC1C(CNC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019817644	1	48	0.0	-71.24	360.07	7.30	-63.94
C[N@@H+]1CC2CCC1C(CNC(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL300019817644	1	48	0.0	-78.26	359.22	7.08	-71.18
C[N@H+]1CC2CCC1C(CNC(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL300019817644	1	48	0.0	-71.24	360.07	7.30	-63.94
C[N@@H+]1CC2CCC1C(CNC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300019817645	0	45	0.0	-60.98	345.06	3.98	-57.00
C[N@H+]1CC2CCC1C(CNC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300019817645	1	45	0.0	-61.03	344.90	3.98	-57.05
C[N@@H+]1CC2CCC1C(CNC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019817645	1	45	0.0	-60.98	345.06	3.98	-57.00
C[N@H+]1CC2CCC1C(CNC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019817645	1	45	0.0	-61.03	344.90	3.98	-57.05
CN(C(=O)CCCC1=N[N-]N=N1)C(C)(C)CN1CCOCC1	REAL300019817716	0	48	0.0	-70.84	348.17	4.62	-66.22
CN(C(=O)CCCC1=N[N-]N=N1)C(C)(C)C[NH+]1CCOCC1	REAL300019817716	1	48	0.0	-70.84	348.17	4.62	-66.22
CC1(C)CCC[N@@H+]1CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019817723	0	47	0.0	-70.05	360.28	6.63	-63.42
CC1(C)CCC[N@H+]1CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019817723	1	47	0.0	-70.23	360.62	6.62	-63.61
CC1(C)CCC[N@@H+]1CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019817723	1	47	0.0	-70.05	360.28	6.63	-63.42
CC1(C)CCC[N@H+]1CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019817723	1	47	0.0	-70.23	360.62	6.62	-63.61
CC1(C)CCC[N@@H+]1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019817724	0	44	0.0	-55.45	346.38	3.52	-51.93
CC1(C)CCC[N@H+]1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019817724	1	44	0.0	-55.45	346.41	3.51	-51.94
CC1(C)CCC[N@@H+]1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019817724	1	44	0.0	-55.45	346.38	3.52	-51.93
CC1(C)CCC[N@H+]1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019817724	1	44	0.0	-55.45	346.41	3.51	-51.94
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300019817774	0	47	0.0	-77.95	370.97	6.56	-71.39
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300019817774	1	47	0.0	-77.95	371.03	6.58	-71.37
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300019817775	0	50	0.0	-82.54	392.24	9.05	-73.49
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300019817776	0	47	0.0	-68.87	378.29	6.93	-61.94
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300019817776	1	47	0.0	-68.84	378.36	6.97	-61.87
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019817777	0	47	0.0	-72.82	354.99	7.76	-65.06
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019817777	1	47	0.0	-73.31	351.40	7.68	-65.63
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019817778	0	44	0.0	-57.35	341.53	5.66	-51.69
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019817778	1	44	0.0	-57.71	341.49	5.66	-52.05
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019817778	1	44	0.0	-57.35	341.53	5.66	-51.69
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019817778	1	44	0.0	-57.71	341.49	5.66	-52.05
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL300019817831	0	41	0.0	-70.70	337.28	5.37	-65.33
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL300019817831	1	41	0.0	-70.75	337.33	5.39	-65.36
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(F)=C1	REAL300019817832	0	44	0.0	-73.90	360.81	8.29	-65.61
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(F)=C1	REAL300019817833	0	41	0.0	-65.55	347.93	5.18	-60.37
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(F)=C1	REAL300019817833	1	41	0.0	-65.60	347.86	5.17	-60.43
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCN1CC1=CC=CC=C1	REAL300019817871	0	48	0.0	-70.73	368.85	7.48	-63.25
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCN1CC1=CC=CC=C1	REAL300019817871	1	48	0.0	-72.20	364.48	7.64	-64.56
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019817871	1	48	0.0	-70.77	368.90	7.49	-63.28
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019817871	1	48	0.0	-72.23	364.53	7.65	-64.58
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019817871	1	48	0.0	-70.77	368.90	7.49	-63.28
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300019817871	1	48	0.0	-72.23	364.53	7.65	-64.58
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCN1CC1=CC=CC=C1	REAL300019817872	0	51	0.0	-73.85	386.78	10.13	-63.72
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCN1CC1=CC=CC=C1	REAL300019817872	1	51	0.0	-75.34	386.97	10.18	-65.16
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019817872	1	51	0.0	-73.85	386.78	10.13	-63.72
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300019817872	1	51	0.0	-75.34	386.97	10.18	-65.16
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCN1CC1=CC=CC=C1	REAL300019817873	0	48	0.0	-56.84	376.56	7.76	-49.08
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCN1CC1=CC=CC=C1	REAL300019817873	1	48	0.0	-56.84	376.56	7.76	-49.08
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019817873	1	48	0.0	-56.84	376.56	7.76	-49.08
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019817873	1	48	0.0	-56.84	376.56	7.76	-49.08
C[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)(N2CCOCC2)CC1	REAL300019817921	0	54	0.0	-75.19	383.20	2.28	-72.91
C[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)(N2CCOCC2)CC1	REAL300019817921	1	54	0.0	-75.21	383.26	2.30	-72.91
C[NH+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(N2CCOCC2)CC1	REAL300019817922	0	54	0.0	-64.51	393.79	2.08	-62.43
C[NH+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(N2CCOCC2)CC1	REAL300019817922	1	54	0.0	-64.54	393.86	2.07	-62.47
COC1=CC(OCC[NH+](C)C)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019817923	0	49	0.0	-70.12	388.92	4.46	-65.66
COC1=CC(OCC[NH+](C)C)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019817923	1	49	0.0	-70.12	388.98	4.47	-65.65
COC1=CC(OCC[NH+](C)C)=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019817924	0	52	0.0	-74.11	413.59	7.37	-66.74
COC1=CC(OCC[NH+](C)C)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019817925	0	49	0.0	-64.09	400.56	4.25	-59.84
COC1=CC(OCC[NH+](C)C)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019817925	1	49	0.0	-64.12	400.50	4.24	-59.88
NC(=O)C1CC[NH+](CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019817979	0	55	0.0	-86.93	434.92	3.92	-83.01
NC(=O)C1CC[NH+](CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019817979	1	55	0.0	-86.99	434.98	3.93	-83.06
COC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+](C)C1	REAL300019818139	0	44	0.0	-77.96	340.85	5.03	-72.93
COC(=O)C1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+](C)C1	REAL300019818139	1	44	0.0	-81.20	341.44	4.44	-76.76
COC(=O)C1CN(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019818140	0	44	0.0	-61.52	335.28	5.46	-56.06
COC(=O)C1CN(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019818140	1	44	0.0	-61.23	337.89	5.45	-55.78
COC(=O)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+](C)C1	REAL300019818140	1	44	0.0	-61.51	335.23	5.46	-56.05
COC(=O)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+](C)C1	REAL300019818140	1	44	0.0	-61.29	337.83	5.45	-55.84
COC(=O)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+](C)C1	REAL300019818140	1	44	0.0	-61.51	335.23	5.46	-56.05
COC(=O)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+](C)C1	REAL300019818140	1	44	0.0	-61.29	337.83	5.45	-55.84
CC[NH+]1CCN(CC(C)(C)NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019818161	0	52	0.0	-71.10	380.20	4.72	-66.38
CC[NH+]1CCN(CC(C)(C)NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019818161	1	52	0.0	-71.13	380.26	4.74	-66.39
CC[NH+]1CCN(CC(C)(C)NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019818162	0	55	0.0	-79.32	404.29	7.56	-71.76
CC[NH+]1CCN(CC(C)(C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019818163	0	52	0.0	-55.88	391.21	4.45	-51.43
CC[NH+]1CCN(CC(C)(C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019818163	1	52	0.0	-55.85	391.27	4.46	-51.39
CC(C)(C[NH+]1CCCC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019818167	0	47	0.0	-77.76	348.58	7.13	-70.63
CC(C)(C[NH+]1CCCC1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019818167	1	47	0.0	-77.81	348.89	7.19	-70.62
CC(C)(C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019818168	0	44	0.0	-57.46	337.06	4.76	-52.70
CC(C)(C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019818168	1	44	0.0	-57.49	337.13	4.76	-52.73
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL300019818177	0	55	0.0	-75.34	436.78	6.45	-68.89
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL300019818177	1	55	0.0	-75.56	436.23	6.45	-69.11
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL300019818177	1	55	0.0	-75.34	436.78	6.45	-68.89
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL300019818177	1	55	0.0	-75.56	436.23	6.45	-69.11
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1OCC[NH+](C)C	REAL300019818190	0	49	0.0	-68.42	390.47	4.92	-63.50
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1OCC[NH+](C)C	REAL300019818190	1	49	0.0	-68.44	390.53	4.94	-63.50
COC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1OCC[NH+](C)C	REAL300019818191	0	49	0.0	-60.81	401.35	4.73	-56.08
COC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1OCC[NH+](C)C	REAL300019818191	1	49	0.0	-60.87	401.28	4.72	-56.15
CN(C(=O)C1=CC(C[N@H+](C)CC2=CC=CC=C2)=CC=C1)C1=N[N-]N=N1	REAL300019825965	0	45	0.0	-73.48	358.49	10.43	-63.05
CN(C(=O)C1=CC(C[N@@H+](C)CC2=CC=CC=C2)=CC=C1)C1=N[N-]N=N1	REAL300019825965	1	45	0.0	-74.26	357.29	10.41	-63.85
CN(C(=O)C1=CC(C[N@H+](C)CC2=CC=CC=C2)=CC=C1)C1=NN=N[N-]1	REAL300019825965	1	45	0.0	-73.55	358.34	10.43	-63.12
CN(C(=O)C1=CC(C[N@@H+](C)CC2=CC=CC=C2)=CC=C1)C1=NN=N[N-]1	REAL300019825965	1	45	0.0	-74.35	357.16	10.41	-63.94
CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019828862	0	45	0.0	-64.65	345.15	9.65	-55.00
CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019828862	1	45	0.0	-64.73	345.01	9.67	-55.06
CC1C[N@H+](CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)CCO1	REAL300019828863	1	43	0.0	-79.15	328.69	6.99	-72.16
CC1C[N@@H+](CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)CCO1	REAL300019828863	1	43	0.0	-79.76	327.85	6.98	-72.78
CN(C(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019828938	0	51	0.0	-35.98	360.79	9.73	-26.25
CN(C(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019828938	1	51	0.0	-38.98	376.30	10.16	-28.82
CN(C(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019828938	1	51	0.0	-35.95	360.93	9.69	-26.26
CN(C(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019828938	1	51	0.0	-38.94	376.42	10.14	-28.80
CN(C(=O)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019828962	0	52	0.0	-50.80	388.64	5.86	-44.94
CN(C(=O)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019828962	1	52	0.0	-50.74	388.81	5.83	-44.91
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300019829019	0	44	0.0	-71.71	368.68	4.54	-67.17
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300019829019	1	44	0.0	-71.70	368.62	4.53	-67.17
O=C(NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019829020	0	47	0.0	-77.79	392.99	7.39	-70.40
O=C(NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019829021	0	44	0.0	-59.89	379.29	4.32	-55.57
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=C[NH+]=C2N2C[C@H](O)C[C@H]2C1	REAL300019829032	1	46	0.0	-69.12	354.77	2.08	-67.04
CO[C@@H]1C[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)CC3=CC=C[NH+]=C3N2C1	REAL300019829035	1	49	0.0	-70.91	376.56	4.55	-66.36
O=C(CCCC1=N[N-]N=N1)N1CCC([NH+]2CCOCC2)CC1	REAL300019829099	0	46	0.0	-74.37	342.84	4.06	-70.31
O=C(CCCC1=NN=N[N-]1)N1CCC([NH+]2CCOCC2)CC1	REAL300019829099	1	46	0.0	-74.40	342.90	4.07	-70.33
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([NH+]2CCOCC2)CC1	REAL300019829100	1	49	0.0	-74.26	366.27	6.64	-67.62
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH+]2CCOCC2)CC1	REAL300019829101	1	46	0.0	-60.09	350.65	4.33	-55.76
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019835530	1	41	0.0	-51.52	338.48	4.45	-47.07
C[N@@H+]1CCCC(O)(CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019835609	0	46	0.0	-51.44	349.83	3.52	-47.92
C[N@H+]1CCCC(O)(CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019835609	1	46	0.0	-56.30	359.55	3.73	-52.57
C[N@@H+]1CCCC(O)(CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019835609	1	46	0.0	-51.44	349.77	3.51	-47.93
C[N@H+]1CCCC(O)(CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019835609	1	46	0.0	-56.30	359.49	3.72	-52.58
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019835760	1	53	0.0	-51.89	430.46	4.95	-46.94
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019835760	1	53	0.0	-55.49	430.14	4.98	-50.51
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=N1	REAL300019835761	1	50	0.0	-56.97	408.31	2.58	-54.39
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=N1	REAL300019835761	1	50	0.0	-52.16	406.26	2.41	-49.75
C[N@@H+]1CCCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019835767	1	42	0.0	-51.01	321.84	4.79	-46.22
C[N@H+]1CCCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019835767	1	42	0.0	-55.76	321.83	4.79	-50.97
C[NH+](C)CCC1=CC=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=C1	REAL300019836009	0	48	0.0	-71.05	389.87	7.69	-63.36
C[NH+](C)CCC1=CC=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=C1	REAL300019836009	1	48	0.0	-71.05	389.81	7.68	-63.37
O=C(CC[N@H+]1CCC(F)C1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019836025	0	42	0.0	-62.39	343.40	5.18	-57.21
O=C(CC[N@@H+]1CCC(F)C1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019836025	1	42	0.0	-59.14	343.83	5.18	-53.96
O=C(CC[N@H+]1CCC(F)C1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019836025	1	42	0.0	-62.39	343.35	5.16	-57.23
O=C(CC[N@@H+]1CCC(F)C1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019836025	1	42	0.0	-59.18	343.77	5.16	-54.02
C[NH+](C)CC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)O1	REAL300019836035	1	42	0.0	-70.01	352.67	5.09	-64.92
CC(C)[N@@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019836036	0	48	0.0	-57.42	368.10	6.16	-51.26
CC(C)[N@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019836036	1	48	0.0	-48.96	361.88	6.37	-42.59
CC(C)[N@@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019836036	1	48	0.0	-57.44	368.05	6.14	-51.30
CC(C)[N@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019836036	1	48	0.0	-48.91	361.82	6.35	-42.56
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300019836037	0	46	0.0	-69.05	379.13	6.31	-62.74
CCC[N@@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019836039	0	48	0.0	-59.09	372.97	6.39	-52.70
CCC[N@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019836039	1	48	0.0	-49.69	366.72	6.60	-43.09
CCC[N@@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019836039	1	48	0.0	-59.09	372.91	6.37	-52.72
CCC[N@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019836039	1	48	0.0	-49.67	366.67	6.58	-43.09
C[N@@H+]1CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C(C(F)(F)F)C1	REAL300019836040	0	42	0.0	-63.14	343.58	5.09	-58.05
C[N@H+]1CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C(C(F)(F)F)C1	REAL300019836040	1	42	0.0	-65.67	352.88	5.17	-60.50
C[N@@H+]1CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C(C(F)(F)F)C1	REAL300019836040	1	42	0.0	-63.16	343.52	5.07	-58.09
C[N@H+]1CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C(C(F)(F)F)C1	REAL300019836040	1	42	0.0	-65.65	352.83	5.16	-60.49
CC(CC[NH+](C)C)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019836041	0	44	0.0	-63.82	349.23	5.25	-58.57
CC(CC[NH+](C)C)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019836041	1	44	0.0	-63.76	349.17	5.24	-58.52
C[N@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)[C@@H]1CCC[C@H]1O	REAL300019836156	0	46	0.0	-48.83	359.32	2.67	-46.16
C[N@@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)[C@@H]1CCC[C@H]1O	REAL300019836156	1	46	0.0	-50.62	359.84	2.76	-47.86
C[NH+]1CCN(CC2=CC=C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)S2)CC1	REAL300019836157	1	51	0.0	-71.51	418.97	5.48	-66.03
CC(C)C[N@@H+]1CCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019836199	0	48	0.0	-51.06	374.02	6.55	-44.51
CC(C)C[N@H+]1CCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019836199	1	48	0.0	-50.98	374.04	6.52	-44.46
O=C(C[NH+]1CCC(CO)CC1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019836200	1	46	0.0	-53.88	362.98	2.56	-51.32
C[NH+](C)CCOC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C=C1	REAL300019838212	0	49	0.0	-75.42	397.17	6.66	-68.76
C[NH+](C)CCOC1=CC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C=C1	REAL300019838212	1	49	0.0	-75.45	397.11	6.64	-68.81
COC(=O)CC(C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)[NH+]1CCCCC1	REAL300019838258	1	51	0.0	-56.63	395.51	7.26	-49.37
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019838399	0	55	0.0	-63.99	428.89	9.30	-54.69
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019838399	1	55	0.0	-64.00	428.95	9.31	-54.69
CC1C[N@H+](CC2=CC=C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)C=C2)CCO1	REAL300019838400	1	53	0.0	-76.59	414.74	7.02	-69.57
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)C=C2)CCO1	REAL300019838400	1	53	0.0	-76.72	414.79	7.02	-69.70
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019838472	0	42	0.0	-58.90	338.73	5.10	-53.80
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019838472	1	42	0.0	-58.92	338.67	5.09	-53.83
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL300019838484	0	48	0.0	-48.90	361.49	6.07	-42.83
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL300019838484	1	48	0.0	-48.92	361.43	6.05	-42.87
CC(C)C[N@@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019838567	0	51	0.0	-49.68	381.28	7.24	-42.44
CC(C)C[N@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019838567	1	51	0.0	-51.61	384.02	7.28	-44.33
CC(C)C[N@@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019838567	1	51	0.0	-49.68	381.28	7.24	-42.44
CC(C)C[N@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019838567	1	51	0.0	-51.61	384.02	7.28	-44.33
CC[N@@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019838568	0	45	0.0	-58.65	351.38	5.63	-53.02
CC[N@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019838568	1	45	0.0	-58.68	351.37	5.63	-53.05
CC[N@@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019838568	1	45	0.0	-58.65	351.38	5.63	-53.02
CC[N@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019838568	1	45	0.0	-58.68	351.37	5.63	-53.05
C[NH+]1CCC2(CC1)CN(C(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C12	REAL300019838585	0	52	0.0	-63.29	384.41	8.33	-54.96
C[NH+]1CCC2(CC1)CN(C(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C12	REAL300019838585	1	52	0.0	-63.30	384.47	8.34	-54.96
C[NH+]1CCC2(CC1)CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC1=CC=CC=C12	REAL300019838586	0	52	0.0	-61.80	391.87	8.56	-53.24
C[NH+]1CCC2(CC1)CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC1=CC=CC=C12	REAL300019838586	1	52	0.0	-61.81	391.94	8.56	-53.25
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC[NH2+]C(CC2=CC=C(F)C=C2)C1	REAL300019838603	1	48	0.0	-87.34	382.43	8.33	-79.01
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=N[N-]N=N1	REAL300019838623	0	52	0.0	-63.53	398.26	5.43	-58.10
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=N[N-]N=N1	REAL300019838623	1	52	0.0	-63.49	399.20	5.55	-57.94
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=NN=N[N-]1	REAL300019838623	1	52	0.0	-63.53	398.26	5.43	-58.10
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=NN=N[N-]1	REAL300019838623	1	52	0.0	-63.49	399.20	5.55	-57.94
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019838624	0	52	0.0	-58.18	406.41	5.79	-52.39
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019838624	1	52	0.0	-58.59	407.38	5.94	-52.65
C[NH+]1CC2(C)CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2(C)C1	REAL300019838666	0	48	0.0	-88.50	361.14	7.41	-81.09
C[NH+]1CC2(C)CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2(C)C1	REAL300019838666	1	48	0.0	-88.55	360.62	7.49	-81.06
C[NH+]1CC2(C)CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2(C)C1	REAL300019838667	0	45	0.0	-51.16	344.40	5.91	-45.25
C[NH+]1CC2(C)CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2(C)C1	REAL300019838667	1	45	0.0	-51.58	344.53	5.92	-45.66
C[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)(C2=CC=CC=C2)CC1	REAL300019838677	0	51	0.0	-71.09	384.07	6.74	-64.35
C[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)(C2=CC=CC=C2)CC1	REAL300019838677	1	51	0.0	-71.13	384.13	6.75	-64.38
C[NH+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)(C2=CC=CC=C2)CC1	REAL300019838678	0	54	0.0	-74.97	408.42	9.66	-65.31
C[NH+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)(C2=CC=CC=C2)CC1	REAL300019838678	1	54	0.0	-76.20	409.42	9.64	-66.56
C[NH+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C2=CC=CC=C2)CC1	REAL300019838679	0	51	0.0	-63.64	394.89	6.52	-57.12
C[NH+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C2=CC=CC=C2)CC1	REAL300019838679	1	51	0.0	-63.61	394.96	6.52	-57.09
C[NH+](C)CC1(O)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019838723	0	48	0.0	-74.46	356.99	5.67	-68.79
C[NH+](C)CC1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019838724	0	45	0.0	-57.79	342.07	3.27	-54.52
C[NH+](C)CC1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019838724	1	45	0.0	-57.82	342.14	3.27	-54.55
CN(CC(=O)N1CCN(C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300019838725	0	45	0.0	-77.78	353.92	4.27	-73.51
CN(CC(=O)N1CCN(C)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300019838725	1	45	0.0	-77.75	353.98	4.29	-73.46
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300019838725	1	45	0.0	-77.78	353.92	4.27	-73.51
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300019838725	1	45	0.0	-77.75	353.98	4.29	-73.46
CN(CC(=O)N1CCN(C)CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019838726	0	48	0.0	-84.57	374.81	6.77	-77.80
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019838726	1	48	0.0	-84.57	374.81	6.77	-77.80
CN(CC(=O)N1CCN(C)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019838727	0	45	0.0	-71.59	361.69	4.68	-66.91
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019838727	1	45	0.0	-71.59	361.69	4.68	-66.91
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300019838728	0	46	0.0	-76.23	357.40	7.32	-68.91
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300019838728	1	46	0.0	-76.49	359.53	7.51	-68.98
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1C[C@@H]2C[C@H]1CN2CC1=CC=CC=C1	REAL300019838729	0	49	0.0	-85.97	377.96	9.93	-76.04
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300019838729	1	49	0.0	-85.97	377.96	9.93	-76.04
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[C@H]1CN2CC1=CC=CC=C1	REAL300019838730	0	46	0.0	-61.26	365.23	7.37	-53.89
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[C@H]1CN2CC1=CC=CC=C1	REAL300019838730	1	46	0.0	-62.36	366.88	7.61	-54.75
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300019838730	1	46	0.0	-61.26	365.23	7.37	-53.89
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300019838730	1	46	0.0	-62.36	366.88	7.61	-54.75
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](CCCCCO)CC1	REAL300019838732	1	51	0.0	-80.51	391.72	5.63	-74.88
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(CCCCCO)CC1	REAL300019838733	0	48	0.0	-61.38	376.48	3.31	-58.07
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(CCCCCO)CC1	REAL300019838733	1	48	0.0	-61.39	376.42	3.30	-58.09
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](CCCCCO)CC1	REAL300019838733	1	48	0.0	-61.38	376.48	3.31	-58.07
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](CCCCCO)CC1	REAL300019838733	1	48	0.0	-61.39	376.42	3.30	-58.09
CC(C)[NH+]1CCC(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019838749	0	50	0.0	-68.34	371.04	5.21	-63.13
CC(C)[NH+]1CCC(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019838749	1	50	0.0	-68.34	371.10	5.22	-63.12
CC(C)[NH+]1CCC(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019838750	0	53	0.0	-73.56	395.39	8.13	-65.43
CC(C)[NH+]1CCC(CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019838750	1	53	0.0	-73.76	395.87	8.11	-65.65
CC(C)[NH+]1CCC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019838751	0	50	0.0	-57.92	381.63	5.01	-52.91
CC(C)[NH+]1CCC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019838751	1	50	0.0	-57.94	381.71	5.01	-52.93
CC1=CC=CC(C[N@@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)=C1	REAL300019838761	0	48	0.0	-73.68	382.15	6.65	-67.03
CC1=CC=CC(C[N@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)=C1	REAL300019838761	1	48	0.0	-73.87	382.78	6.67	-67.20
CC1=CC=CC(C[N@@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)=C1	REAL300019838761	1	48	0.0	-73.68	382.15	6.65	-67.03
CC1=CC=CC(C[N@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)=C1	REAL300019838761	1	48	0.0	-73.87	382.78	6.67	-67.20
CC1=CC=CC(C[N@@H+]2CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)=C1	REAL300019838762	0	51	0.0	-79.76	406.78	9.48	-70.28
CC1=CC=CC(C[N@H+]2CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)=C1	REAL300019838762	1	51	0.0	-79.70	406.52	9.50	-70.20
CC1=CC=CC(C[N@H+]2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)=C1	REAL300019838763	1	48	0.0	-61.87	390.39	6.25	-55.62
O=C(CCCC1=N[N-]N=N1)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019838772	0	54	0.0	-71.42	416.89	7.83	-63.59
O=C(CCCC1=NN=N[N-]1)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019838772	1	54	0.0	-71.47	416.95	7.84	-63.63
O=C(NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019838773	0	54	0.0	-62.86	427.47	7.63	-55.23
O=C(NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019838773	1	54	0.0	-62.81	427.54	7.63	-55.18
O=C(CCCC1=N[N-]N=N1)NCC1=CC=NC(N2CCSCC2)=C1	REAL300019838809	0	45	0.0	-70.67	371.50	4.07	-66.60
O=C(CCCC1=NN=N[N-]1)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300019838809	1	45	0.0	-70.67	371.50	4.07	-66.60
COC1=CC=CC(CC2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC[NH2+]2)=C1	REAL300019838822	1	52	0.0	-78.30	405.35	7.57	-70.73
O=C(NCC12CCC[NH+](CCC1)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019838886	0	45	0.0	-63.02	341.58	4.20	-58.82
O=C(NCC12CCC[NH+](CCC1)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019838886	1	45	0.0	-63.00	341.64	4.20	-58.80
NC(=O)CN1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019838892	0	45	0.0	-76.57	357.82	2.80	-73.77
NC(=O)C[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019838892	1	45	0.0	-76.57	357.82	2.80	-73.77
NC(=O)CN1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019838893	0	42	0.0	-65.25	344.36	-0.30	-65.55
NC(=O)C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019838893	1	42	0.0	-65.25	344.36	-0.30	-65.55
CC12CN(C(=O)CCCC3=N[N-]N=N3)CC1(C)C[NH+](CC1=CC=CC=C1)C2	REAL300019838916	0	55	0.0	-79.56	417.20	8.69	-70.87
CC12CN(C(=O)CCCC3=NN=N[N-]3)CC1(C)C[NH+](CC1=CC=CC=C1)C2	REAL300019838916	1	55	0.0	-79.53	417.26	8.70	-70.83
CC1CC[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL300019838921	0	51	0.0	-65.25	396.68	7.38	-57.87
CC1CC[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL300019838921	1	51	0.0	-66.37	391.67	7.92	-58.45
CC1CC[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL300019838921	1	51	0.0	-65.25	396.68	7.38	-57.87
CC1CC[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL300019838921	1	51	0.0	-66.37	391.67	7.92	-58.45
CC1CC[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019838922	0	54	0.0	-68.60	416.01	10.82	-57.78
CC1CC[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019838922	1	54	0.0	-69.11	411.15	10.31	-58.80
CC1CC[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019838923	0	51	0.0	-56.40	397.39	7.17	-49.23
CC1CC[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019838923	1	51	0.0	-56.39	397.42	7.18	-49.21
CC1CC[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019838923	1	51	0.0	-56.40	397.39	7.17	-49.23
CC1CC[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019838923	1	51	0.0	-56.39	397.42	7.18	-49.21
O=C(CC[N@H+]1CCC(F)C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840977	0	39	0.0	-54.30	336.12	6.24	-48.06
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840977	1	39	0.0	-54.23	336.23	6.30	-47.93
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840980	1	39	0.0	-53.65	346.50	6.23	-47.42
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840981	0	45	0.0	-49.71	360.70	7.27	-42.44
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840981	1	45	0.0	-49.10	361.21	7.27	-41.83
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840981	1	45	0.0	-49.71	360.66	7.27	-42.44
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840981	1	45	0.0	-49.08	361.17	7.27	-41.81
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840982	0	45	0.0	-51.83	365.54	7.50	-44.33
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840982	1	45	0.0	-47.38	359.30	7.70	-39.68
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840982	1	45	0.0	-51.84	365.49	7.49	-44.35
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840982	1	45	0.0	-47.36	359.25	7.69	-39.67
CC(CC[NH+](C)C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840983	0	41	0.0	-55.23	343.29	6.38	-48.85
CC(CC[NH+](C)C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840983	1	41	0.0	-55.24	343.33	6.38	-48.86
C[N@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300019841013	1	43	0.0	-45.27	352.51	3.89	-41.38
C[N@@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300019841013	1	43	0.0	-45.56	352.29	3.75	-41.81
O=C(C[NH+]1CCC(CO)CC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841026	1	43	0.0	-50.04	355.44	3.66	-46.38
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841030	0	42	0.0	-43.17	334.55	3.46	-39.71
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841030	1	42	0.0	-50.43	335.13	3.42	-47.01
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841030	1	42	0.0	-43.20	334.60	3.47	-39.73
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841030	1	42	0.0	-50.45	335.20	3.43	-47.02
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841072	0	42	0.0	-44.21	341.10	6.58	-37.63
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841072	1	42	0.0	-42.08	334.62	6.53	-35.55
CC(C)(C)[NH2+]CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841079	0	41	0.0	-51.67	343.51	4.80	-46.87
CC(C)(C)[NH2+]CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841079	1	41	0.0	-51.70	343.55	4.82	-46.88
C[NH+]1CCC(OCC(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019841087	0	43	0.0	-58.15	361.94	6.48	-51.67
C[NH+]1CCC(OCC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841087	1	43	0.0	-58.18	361.98	6.48	-51.70
C[NH+](C)CC(O)CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841108	0	39	0.0	-56.05	335.71	3.44	-52.61
C[NH+](C)CC(O)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841108	1	39	0.0	-56.06	335.75	3.44	-52.62
CC(C[NH+](C)C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841110	0	38	0.0	-49.88	320.84	5.89	-43.99
CC(C[NH+](C)C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841110	1	38	0.0	-49.93	320.89	5.89	-44.04
C[NH+](C)CC=CC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841112	0	36	0.0	-54.78	318.95	5.72	-49.06
C[NH+](C)CC=CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841112	1	36	0.0	-54.78	319.00	5.74	-49.04
C=CCC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019841182	0	39	0.0	-42.71	326.52	6.04	-36.67
C[N@@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841189	0	39	0.0	-48.85	321.16	6.33	-42.52
C[N@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841189	1	39	0.0	-51.25	327.43	6.12	-45.13
C[N@@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841189	1	39	0.0	-48.83	321.11	6.33	-42.50
C[N@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841189	1	39	0.0	-51.26	327.38	6.12	-45.14
O=C(CCCC1=N[N-]N=N1)N1CC2CCC1C1C[N@H+](CC3=CC=CC=C3)CC12	REAL300019841829	0	56	0.0	-77.77	409.90	9.75	-68.02
O=C(CCCC1=N[N-]N=N1)N1CC2CCC1C1C[N@@H+](CC3=CC=CC=C3)CC12	REAL300019841829	1	56	0.0	-77.69	410.04	9.76	-67.93
O=C(CCCC1=NN=N[N-]1)N1CC2CCC1C1C[N@H+](CC3=CC=CC=C3)CC12	REAL300019841829	1	56	0.0	-77.74	409.95	9.77	-67.97
O=C(CCCC1=NN=N[N-]1)N1CC2CCC1C1C[N@@H+](CC3=CC=CC=C3)CC12	REAL300019841829	1	56	0.0	-77.69	410.10	9.77	-67.92
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC2=CC=CC3=CC=CN=C32)CC1	REAL300019841833	1	50	0.0	-69.83	387.70	8.02	-61.81
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CC2=CC=CC3=CC=CN=C32)CC1	REAL300019841833	1	50	0.0	-69.81	387.64	8.00	-61.81
CC1=CC=CC=C1C1CN(C(=O)CCCC2=N[N-]N=N2)CC[NH2+]1	REAL300019841837	1	45	0.0	-79.17	347.65	5.58	-73.59
O=C(NCC[N@H+]1CC[C@H](O)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019841879	0	42	0.0	-75.46	338.17	2.47	-72.99
O=C(NCC[N@@H+]1CC[C@H](O)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019841879	1	42	0.0	-75.36	338.78	2.45	-72.91
O=C(NCC[N@H+]1CC[C@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019841880	0	39	0.0	-59.55	324.60	-0.62	-60.17
O=C(NCC[N@@H+]1CC[C@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019841880	1	39	0.0	-60.31	324.27	-0.61	-60.92
CCC1([NH+]2CCOCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019841919	0	52	0.0	-71.96	356.63	4.55	-67.41
CCC1([NH+]2CCOCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019841919	1	52	0.0	-72.01	356.69	4.57	-67.44
CCC1([NH+]2CCOCC2)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019841920	0	55	0.0	-74.67	386.87	7.22	-67.45
CCC1([NH+]2CCOCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019841921	0	52	0.0	-57.32	370.52	4.95	-52.37
CCC1([NH+]2CCOCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019841921	1	52	0.0	-57.30	370.45	4.95	-52.35
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019841964	1	48	0.0	-72.42	367.19	7.67	-64.75
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019841964	1	48	0.0	-72.47	367.25	7.68	-64.79
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019841965	1	51	0.0	-81.93	382.85	9.54	-72.39
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019841966	1	48	0.0	-57.59	374.88	7.94	-49.65
CC1([NH+]2CCCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019842004	0	48	0.0	-69.77	342.35	5.75	-64.02
CC1([NH+]2CCCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019842004	1	48	0.0	-69.78	342.41	5.77	-64.01
CC1([NH+]2CCCC2)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019842005	0	51	0.0	-62.04	365.65	8.23	-53.81
CC1([NH+]2CCCC2)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019842005	1	51	0.0	-58.06	365.67	8.21	-49.85
CC1([NH+]2CCCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019842006	0	48	0.0	-55.86	350.15	6.01	-49.85
CC1([NH+]2CCCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019842006	1	48	0.0	-55.88	350.22	6.01	-49.87
CCC1([NH+](C)C)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019842019	0	50	0.0	-74.87	353.97	7.81	-67.06
CCC1([NH+](C)C)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019842019	1	50	0.0	-74.70	354.22	7.80	-66.90
CCC1([NH+](C)C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019842020	0	47	0.0	-59.99	332.30	5.45	-54.54
CCC1([NH+](C)C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019842020	1	47	0.0	-59.60	332.11	5.42	-54.18
C[NH+](C)CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300019842100	0	47	0.0	-68.77	388.18	7.11	-61.66
C[NH+](C)CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300019842100	1	47	0.0	-68.84	388.23	7.12	-61.72
O=C(NCC1CC[N@@H+]1C1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019842114	0	48	0.0	-77.96	357.75	8.03	-69.93
O=C(NCC1CC[N@H+]1C1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019842114	1	48	0.0	-76.72	359.43	6.92	-69.80
O=C(NCC1CC[N@@H+]1C1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019842115	0	45	0.0	-58.49	353.96	5.37	-53.12
O=C(NCC1CC[N@H+]1C1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019842115	1	45	0.0	-58.09	357.60	4.43	-53.66
O=C(NCC1CC[N@@H+]1C1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019842115	1	45	0.0	-58.53	353.89	5.36	-53.17
O=C(NCC1CC[N@H+]1C1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019842115	1	45	0.0	-58.10	357.53	4.43	-53.67
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCOCC1C1=NN=N[N-]1	REAL300019847511	0	54	0.0	-65.36	399.67	6.58	-58.78
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCOCC1C1=NN=N[N-]1	REAL300019847511	1	54	0.0	-65.59	396.74	6.07	-59.52
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCOCC1C1=N[N-]N=N1	REAL300019847511	1	54	0.0	-65.37	399.58	6.58	-58.79
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCOCC1C1=N[N-]N=N1	REAL300019847511	1	54	0.0	-65.56	396.66	6.06	-59.50
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847526	1	39	0.0	-56.25	307.07	1.05	-55.20
C[N@@H+]1CCCC(O)(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847591	0	44	0.0	-55.81	315.58	0.52	-55.29
C[N@H+]1CCCC(O)(CC(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847591	1	44	0.0	-54.58	325.50	0.61	-53.97
C[N@@H+]1CCCC(O)(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847591	1	44	0.0	-55.77	315.64	0.53	-55.24
C[N@H+]1CCCC(O)(CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847591	1	44	0.0	-54.57	325.57	0.60	-53.97
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847721	1	51	0.0	-53.54	393.11	2.35	-51.19
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847721	1	51	0.0	-52.93	391.50	2.36	-50.57
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL300019847722	1	48	0.0	-50.84	370.84	-0.03	-50.87
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL300019847722	1	48	0.0	-51.33	369.60	-0.15	-51.48
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL300019847723	0	55	0.0	-83.22	400.93	1.02	-82.20
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL300019847723	1	55	0.0	-83.15	400.87	1.01	-82.14
C[NH+](C)CCSC1=NC(CC(=O)N2CCOCC2C2=N[N-]N=N2)=CS1	REAL300019847833	0	46	0.0	-79.18	384.72	3.04	-76.14
C[NH+](C)CCSC1=NC(CC(=O)N2CCOCC2C2=NN=N[N-]2)=CS1	REAL300019847833	1	46	0.0	-79.17	384.79	3.06	-76.11
C[NH+](C)CCC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019847927	0	46	0.0	-74.51	353.71	4.31	-70.20
C[NH+](C)CCC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019847927	1	46	0.0	-74.55	353.78	4.32	-70.23
C[NH+](C)CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1	REAL300019847942	1	40	0.0	-80.41	315.55	2.15	-78.26
CC(C)[N@@H+]1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847943	0	46	0.0	-50.77	324.78	3.15	-47.62
CC(C)[N@H+]1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847943	1	46	0.0	-49.98	324.43	3.14	-46.84
CC(C)[N@@H+]1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847943	1	46	0.0	-50.70	324.71	3.14	-47.56
CC(C)[N@H+]1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847943	1	46	0.0	-49.94	324.36	3.13	-46.81
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCOCC1C1=NN=N[N-]1	REAL300019847944	1	44	0.0	-78.75	341.65	3.45	-75.30
CCC[N@@H+]1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847945	0	46	0.0	-63.92	337.46	3.19	-60.73
CCC[N@H+]1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847945	1	46	0.0	-49.46	328.68	3.57	-45.89
CCC[N@@H+]1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847945	1	46	0.0	-63.92	337.38	3.19	-60.73
CCC[N@H+]1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847945	1	46	0.0	-49.45	328.63	3.57	-45.88
C[N@@H+]1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300019847946	0	40	0.0	-64.31	314.78	1.89	-62.42
C[N@H+]1CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300019847946	1	40	0.0	-76.42	316.13	1.97	-74.45
C[N@@H+]1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C(C(F)(F)F)C1	REAL300019847946	1	40	0.0	-64.33	314.71	1.89	-62.44
C[N@H+]1CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C(C(F)(F)F)C1	REAL300019847946	1	40	0.0	-76.43	316.06	1.96	-74.47
C[N@H+](CC(=O)N1CCOCC1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300019848045	0	44	0.0	-49.91	326.31	-0.27	-50.18
C[N@@H+](CC(=O)N1CCOCC1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300019848045	1	44	0.0	-53.41	326.67	-0.46	-53.87
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)S2)CC1	REAL300019848046	1	49	0.0	-77.72	382.59	2.12	-75.60
O=C(C[NH+]1CCC(CO)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019848080	1	44	0.0	-57.46	329.21	-0.48	-57.94
CC1CN2CC[N@@H+]1CC2C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019848085	0	43	0.0	-70.11	305.04	-0.99	-71.10
CC1CN2CC[N@H+]1CC2C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019848085	1	43	0.0	-70.20	303.06	-0.92	-71.12
CC1CN2CC[N@@H+]1CC2C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019848085	1	43	0.0	-70.15	304.98	-1.01	-71.16
CC1CN2CC[N@H+]1CC2C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019848085	1	43	0.0	-70.20	303.00	-0.93	-71.13
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019848111	0	53	0.0	-77.09	409.73	5.13	-71.96
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019848111	1	53	0.0	-77.05	409.80	5.15	-71.90
CC(C)C[NH+]1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019848118	0	49	0.0	-71.00	353.99	3.96	-67.04
CC(C)C[NH+]1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019848118	1	49	0.0	-71.07	354.07	3.98	-67.09
CC1CC2CCC(C(=O)N3CCOCC3C3=NN=N[N-]3)C[N@@H+]2C1	REAL300019848140	0	47	0.0	-49.89	333.91	3.79	-46.10
CC1CC2CCC(C(=O)N3CCOCC3C3=NN=N[N-]3)C[N@H+]2C1	REAL300019848140	1	47	0.0	-50.56	334.20	3.64	-46.92
CC1CC2CCC(C(=O)N3CCOCC3C3=N[N-]N=N3)C[N@@H+]2C1	REAL300019848140	1	47	0.0	-49.87	333.84	3.78	-46.09
CC1CC2CCC(C(=O)N3CCOCC3C3=N[N-]N=N3)C[N@H+]2C1	REAL300019848140	1	47	0.0	-50.53	334.13	3.64	-46.89
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCOCC1C1=NN=N[N-]1	REAL300019848143	0	47	0.0	-66.82	321.55	3.08	-63.74
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCOCC1C1=NN=N[N-]1	REAL300019848143	1	47	0.0	-50.94	328.72	3.65	-47.29
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCOCC1C1=N[N-]N=N1	REAL300019848143	1	47	0.0	-66.80	321.48	3.06	-63.74
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCOCC1C1=N[N-]N=N1	REAL300019848143	1	47	0.0	-50.93	328.64	3.65	-47.28
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019848194	0	50	0.0	-69.78	378.80	5.37	-64.41
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019848194	1	50	0.0	-75.04	377.34	5.18	-69.86
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019848194	1	50	0.0	-69.76	378.72	5.36	-64.40
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019848194	1	50	0.0	-75.03	377.28	5.17	-69.86
C[NH+](C)CCOC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019849708	0	47	0.0	-81.22	360.91	3.27	-77.95
C[NH+](C)CCOC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019849708	1	47	0.0	-81.23	360.97	3.29	-77.94
COC(=O)CC(C(=O)N1CCOCC1C1=NN=N[N-]1)[NH+]1CCCCC1	REAL300019849748	1	49	0.0	-45.75	357.99	3.21	-42.54
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019849879	0	53	0.0	-67.06	395.42	6.34	-60.72
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019849879	1	53	0.0	-67.02	395.49	6.35	-60.67
CC1C[N@H+](CC2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2)CCO1	REAL300019849880	1	51	0.0	-85.72	385.81	3.74	-81.98
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2)CCO1	REAL300019849880	1	51	0.0	-84.70	385.43	3.69	-81.01
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019849946	0	46	0.0	-54.61	323.85	2.89	-51.72
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019849946	1	46	0.0	-54.59	323.91	2.90	-51.69
CC(C)C[N@@H+]1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019850009	0	49	0.0	-51.81	343.64	4.12	-47.69
CC(C)C[N@H+]1CCCC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019850009	1	49	0.0	-64.33	354.39	3.96	-60.37
CC(C)C[N@@H+]1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019850009	1	49	0.0	-51.78	343.59	4.10	-47.68
CC(C)C[N@H+]1CCCC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019850009	1	49	0.0	-64.31	354.31	3.95	-60.36
CCC1([NH+]2CCCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019850056	0	51	0.0	-68.71	356.42	6.48	-62.23
CCC1([NH+]2CCCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019850056	1	51	0.0	-68.82	356.47	6.50	-62.32
CCC1([NH+]2CCCC2)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019850057	0	54	0.0	-69.89	379.46	8.94	-60.95
CCC1([NH+]2CCCC2)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019850057	1	54	0.0	-72.80	379.05	9.06	-63.74
CCC1([NH+]2CCCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019850058	0	51	0.0	-55.02	364.20	6.73	-48.29
CCC1([NH+]2CCCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019850058	1	51	0.0	-54.99	364.80	6.66	-48.33
C[NH+](C)CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300019850080	0	44	0.0	-65.20	380.63	6.91	-58.29
C[NH+](C)CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300019850080	1	44	0.0	-65.25	380.69	6.93	-58.32
O=C(NCC[N@H+]1CC[C@@H](O)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850087	0	42	0.0	-75.01	338.39	2.45	-72.56
O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850087	1	42	0.0	-75.96	338.27	2.45	-73.51
O=C(NCC[N@H+]1CC[C@@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850088	0	39	0.0	-60.35	324.28	-0.61	-60.96
O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850088	1	39	0.0	-59.53	324.50	-0.64	-60.17
COCCN(CC1CC[NH+](C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300019850143	0	51	0.0	-63.25	385.23	5.68	-57.57
COCCN(CC1CC[NH+](C)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300019850143	1	51	0.0	-63.27	385.29	5.69	-57.58
COCCN(CC1CC[NH+](C)CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850144	0	54	0.0	-57.40	403.89	8.23	-49.17
COCCN(CC1CC[NH+](C)CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019850144	1	54	0.0	-57.18	403.97	8.24	-48.94
COCCN(CC1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850145	0	51	0.0	-56.64	393.52	6.29	-50.35
COCCN(CC1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850145	1	51	0.0	-56.68	393.59	6.30	-50.38
C[NH+]1CCC2(CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019850158	0	48	0.0	-77.54	344.93	5.93	-71.61
C[NH+]1CCC2(CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019850158	1	48	0.0	-77.56	344.99	5.95	-71.61
C[NH+]1CCC2(CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL300019850159	0	51	0.0	-80.56	368.37	8.52	-72.04
C[NH+]1CCC2(CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)CC1	REAL300019850159	1	51	0.0	-82.35	368.37	8.48	-73.87
C[NH+]1CCC2(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019850160	0	48	0.0	-62.13	353.03	6.13	-56.00
C[NH+]1CCC2(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019850160	1	48	0.0	-62.13	353.09	6.14	-55.99
CC1([NH+]2CCOCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019850166	0	49	0.0	-72.22	348.39	4.01	-68.21
CC1([NH+]2CCOCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019850166	1	49	0.0	-72.24	348.45	4.03	-68.21
CC1([NH+]2CCOCC2)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019850167	0	52	0.0	-60.77	371.38	6.48	-54.29
CC1([NH+]2CCOCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019850168	0	49	0.0	-58.30	356.53	4.20	-54.10
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019850191	0	48	0.0	-78.32	367.78	4.64	-73.68
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019850191	1	48	0.0	-77.94	371.41	4.45	-73.49
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019850192	0	45	0.0	-61.98	355.25	1.46	-60.52
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019850192	1	45	0.0	-61.44	357.91	1.32	-60.12
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300019856447	0	57	0.0	-74.69	439.92	10.73	-63.96
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300019856447	1	57	0.0	-69.63	433.06	10.46	-59.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300019856447	1	57	0.0	-74.70	439.97	10.75	-63.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300019856447	1	57	0.0	-69.62	433.12	10.48	-59.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300019856510	0	50	0.0	-54.86	373.55	7.93	-46.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC(C1=CC=CC=C1)[NH+](C)C	REAL300019856510	1	50	0.0	-54.88	373.61	7.94	-46.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300019856523	0	54	0.0	-47.92	374.71	7.71	-40.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300019856523	1	54	0.0	-49.71	375.91	7.60	-42.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC[NH+]1CCOCC1	REAL300019856615	1	51	0.0	-66.73	381.39	5.53	-61.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC[NH+]1CCOCC1	REAL300019856615	1	51	0.0	-66.72	381.44	5.54	-61.18
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300019856847	0	48	0.0	-61.72	350.92	6.69	-55.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300019856847	1	48	0.0	-61.70	350.98	6.70	-55.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019857031	0	54	0.0	-59.78	401.31	9.08	-50.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019857031	1	54	0.0	-59.79	401.38	9.08	-50.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300019857065	0	51	0.0	-59.44	384.57	8.37	-51.07
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300019857065	1	51	0.0	-59.48	384.64	8.37	-51.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	REAL300019857067	1	61	0.0	-59.21	450.88	5.60	-53.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@@H+](C(C)C)CCO1	REAL300019857068	1	48	0.0	-31.02	342.45	5.63	-25.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@H+](C(C)C)CCO1	REAL300019857068	1	48	0.0	-43.16	347.50	5.73	-37.43
CC[NH+](CC)CC1=CC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C=C1	REAL300019857083	0	53	0.0	-59.00	389.73	8.25	-50.75
CC[NH+](CC)CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019857083	1	53	0.0	-59.02	389.80	8.26	-50.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1C[NH+](C)C	REAL300019857107	0	47	0.0	-51.77	361.24	7.51	-44.26
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1C[NH+](C)C	REAL300019857107	1	47	0.0	-51.76	361.29	7.52	-44.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300019857112	0	57	0.0	-64.80	428.98	8.49	-56.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300019857112	1	57	0.0	-64.80	428.91	8.50	-56.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300019857162	0	54	0.0	-48.30	397.84	9.01	-39.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300019857162	1	54	0.0	-60.57	410.32	9.57	-51.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300019857162	1	54	0.0	-48.29	397.79	8.99	-39.30
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300019857162	1	54	0.0	-60.58	410.26	9.56	-51.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019857177	0	54	0.0	-48.44	395.67	9.33	-39.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019857177	1	54	0.0	-48.39	395.61	9.32	-39.07
CC1=[NH+]C=C2CCC(C(=O)N(CC3=N[N-]N=N3)CC(C)C)CN21	REAL300019857197	1	46	0.0	-52.78	349.38	6.43	-46.35
CC1=[NH+]C=C2CCC(C(=O)N(CC3=NN=N[N-]3)CC(C)C)CN21	REAL300019857197	1	46	0.0	-52.75	349.43	6.44	-46.31
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300019858720	0	58	0.0	-58.30	427.95	9.94	-48.36
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300019858720	1	58	0.0	-59.26	425.28	9.85	-49.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300019858720	1	58	0.0	-58.31	427.90	9.92	-48.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300019858720	1	58	0.0	-59.26	425.22	9.84	-49.42
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CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300019858821	0	48	0.0	-60.29	343.86	4.29	-56.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300019858821	1	48	0.0	-59.59	353.58	4.48	-55.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300019858821	1	48	0.0	-60.32	343.92	4.30	-56.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300019858821	1	48	0.0	-59.60	353.63	4.49	-55.11
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COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL300019858977	1	55	0.0	-55.79	422.80	6.08	-49.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C)C=C1C[N@@H+]1CCC(O)C1	REAL300019858978	1	52	0.0	-58.41	397.80	3.81	-54.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C)C=C1C[N@H+]1CCC(O)C1	REAL300019858978	1	52	0.0	-46.17	400.16	3.83	-42.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1	REAL300019858979	0	59	0.0	-74.28	431.76	4.79	-69.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1	REAL300019858979	1	59	0.0	-74.27	431.70	4.78	-69.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1=CSC(SCC[NH+](C)C)=N1	REAL300019859118	0	50	0.0	-76.14	413.99	6.57	-69.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1=CSC(SCC[NH+](C)C)=N1	REAL300019859118	1	50	0.0	-76.16	414.04	6.59	-69.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1([NH+](C)C)COC2=CC=CC=C2C1	REAL300019859121	1	52	0.0	-69.08	367.44	6.47	-62.61
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300019861493	0	51	0.0	-74.61	388.92	6.71	-67.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300019861493	1	51	0.0	-74.66	388.97	6.71	-67.95
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CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019861690	0	57	0.0	-60.45	423.91	9.94	-50.51
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019861690	1	57	0.0	-60.47	423.97	9.95	-50.52
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CC(C)C[N@@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019869200	0	48	0.0	-61.23	353.44	5.64	-55.59
CC(C)C[N@H+]1CCCC(C(=O)NC2(C3=NN=N[N-]3)CCC2)C1	REAL300019869200	1	48	0.0	-58.89	353.14	5.66	-53.23
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C3=N[N-]N=N3)CCC2)C1	REAL300019869200	1	48	0.0	-61.26	353.37	5.65	-55.61
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CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)C=C2)CCO1	REAL300019878964	1	56	0.0	-78.48	421.86	7.33	-71.15
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300019879050	0	51	0.0	-56.42	357.74	6.36	-50.06
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300019879050	1	51	0.0	-56.42	357.80	6.38	-50.04
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300019879135	0	54	0.0	-56.73	389.91	7.54	-49.19
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300019879135	1	54	0.0	-57.12	390.31	7.55	-49.57
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019879135	1	54	0.0	-56.73	389.91	7.54	-49.19
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019879135	1	54	0.0	-57.12	390.31	7.55	-49.57
CC[N@@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300019879136	0	48	0.0	-58.76	341.89	6.19	-52.57
CC[N@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300019879136	1	48	0.0	-65.92	350.00	6.07	-59.85
CC[N@@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019879136	1	48	0.0	-58.76	341.89	6.19	-52.57
CC[N@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019879136	1	48	0.0	-65.92	350.00	6.07	-59.85
C[NH+](C)C(CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300019884456	0	51	0.0	-69.39	379.03	7.94	-61.45
C[NH+](C)C(CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019884456	1	51	0.0	-69.39	379.09	7.95	-61.44
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884468	0	55	0.0	-59.29	379.79	8.20	-51.09
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884468	1	55	0.0	-56.71	383.76	7.68	-49.03
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884468	1	55	0.0	-59.33	379.85	8.21	-51.12
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884468	1	55	0.0	-56.79	383.83	7.69	-49.10
O=C(CCCC[NH+]1CCOCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884569	1	52	0.0	-70.04	387.42	5.55	-64.49
O=C(CCCC[NH+]1CCOCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884569	1	52	0.0	-70.02	387.48	5.55	-64.47
O=C(C1CC[NH+](C2CC2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884807	0	49	0.0	-66.37	358.32	6.67	-59.70
O=C(C1CC[NH+](C2CC2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884807	1	49	0.0	-66.33	358.39	6.69	-59.64
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CCC[NH+]1CCC2	REAL300019884819	0	46	0.0	-59.12	326.86	5.24	-53.88
O=C(C1CCC[N@@H+]1C1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884947	0	46	0.0	-57.92	338.04	5.75	-52.17
O=C(C1CCC[N@H+]1C1CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884947	1	46	0.0	-57.64	340.88	6.09	-51.55
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884991	0	55	0.0	-84.17	409.82	8.97	-75.20
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884991	1	55	0.0	-84.20	409.88	8.97	-75.23
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885023	0	52	0.0	-83.49	391.30	8.20	-75.29
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885023	1	52	0.0	-83.50	391.36	8.21	-75.29
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019885025	1	49	0.0	-72.17	356.58	5.30	-66.87
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019885025	1	49	0.0	-66.42	349.67	5.12	-61.30
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019885025	1	49	0.0	-72.17	356.64	5.31	-66.86
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019885025	1	49	0.0	-66.46	349.74	5.13	-61.33
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019885041	0	54	0.0	-82.64	403.45	8.44	-74.20
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019885041	1	54	0.0	-82.65	403.52	8.45	-74.20
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885064	0	48	0.0	-53.35	364.02	7.06	-46.29
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885064	1	48	0.0	-53.37	364.08	7.07	-46.30
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885136	0	55	0.0	-54.45	401.28	8.41	-46.04
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885136	1	55	0.0	-54.49	401.34	8.43	-46.06
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)CN21	REAL300019885154	1	47	0.0	-59.68	357.82	6.56	-53.12
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)CN21	REAL300019885154	1	47	0.0	-59.66	357.88	6.57	-53.09
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885161	0	58	0.0	-60.77	423.08	9.98	-50.79
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885161	1	58	0.0	-61.22	422.29	9.73	-51.49
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885161	1	58	0.0	-60.78	423.14	9.99	-50.79
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885161	1	58	0.0	-61.26	422.35	9.75	-51.51
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)CC2)CC1	REAL300019885165	0	63	0.0	-68.32	439.77	6.50	-61.82
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)CC2)CC1	REAL300019885165	1	63	0.0	-68.34	439.83	6.53	-61.81
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886753	0	59	0.0	-66.39	435.34	10.03	-56.36
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886753	1	59	0.0	-67.66	436.48	9.94	-57.72
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886753	1	59	0.0	-66.38	435.40	10.04	-56.34
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886753	1	59	0.0	-67.62	436.54	9.96	-57.66
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886774	1	44	0.0	-60.87	341.77	4.51	-56.36
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886857	0	49	0.0	-64.90	356.62	4.38	-60.52
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886857	1	49	0.0	-65.58	346.87	4.21	-61.37
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886857	1	49	0.0	-64.89	356.68	4.39	-60.50
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886857	1	49	0.0	-65.57	346.93	4.22	-61.35
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019887016	1	56	0.0	-57.04	425.64	5.65	-51.39
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019887016	1	56	0.0	-66.73	433.12	5.45	-61.28
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019887017	1	53	0.0	-71.52	411.34	2.93	-68.59
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019887017	1	53	0.0	-56.81	405.47	3.48	-53.33
C[NH+](C)CCSC1=NC(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CS1	REAL300019887155	0	51	0.0	-83.37	419.14	6.58	-76.79
C[NH+](C)CCSC1=NC(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CS1	REAL300019887155	1	51	0.0	-83.42	419.20	6.59	-76.83
C[NH+](C)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)COC2=CC=CC=C2C1	REAL300019887158	1	53	0.0	-67.20	372.51	6.96	-60.24
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019889571	0	52	0.0	-83.13	397.17	6.87	-76.26
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019889571	1	52	0.0	-83.13	397.23	6.87	-76.26
COC(=O)CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019889618	0	54	0.0	-53.62	392.64	6.74	-46.88
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889765	0	58	0.0	-66.01	428.98	9.89	-56.12
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889765	1	58	0.0	-66.02	429.04	9.91	-56.11
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C2)CCO1	REAL300019889766	1	56	0.0	-84.72	415.69	7.29	-77.43
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C2)CCO1	REAL300019889766	1	56	0.0	-85.44	415.15	7.26	-78.18
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019889852	0	51	0.0	-62.13	357.97	6.37	-55.76
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019889852	1	51	0.0	-62.21	358.03	6.38	-55.83
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019889937	0	54	0.0	-58.29	379.86	7.40	-50.89
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019889937	1	54	0.0	-59.09	389.87	7.52	-51.57
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019889937	1	54	0.0	-58.29	379.86	7.40	-50.89
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019889937	1	54	0.0	-59.09	389.87	7.52	-51.57
CC[N@@H+]1CCCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019889938	0	48	0.0	-58.30	341.93	6.17	-52.13
CC[N@H+]1CCCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019889938	1	48	0.0	-58.36	341.99	6.17	-52.19
CC[N@@H+]1CCCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019889938	1	48	0.0	-58.30	341.93	6.17	-52.13
CC[N@H+]1CCCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019889938	1	48	0.0	-58.36	341.99	6.17	-52.19
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019889948	0	45	0.0	-59.73	329.29	8.07	-51.66
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019889948	1	45	0.0	-64.47	333.05	8.40	-56.07
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019889948	1	45	0.0	-59.73	329.29	8.07	-51.66
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019889948	1	45	0.0	-64.47	333.05	8.40	-56.07
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019889949	0	42	0.0	-54.62	318.14	5.97	-48.65
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019889949	1	42	0.0	-58.34	315.15	6.26	-52.08
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019889949	1	42	0.0	-54.62	318.14	5.97	-48.65
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019889949	1	42	0.0	-58.34	315.15	6.26	-52.08
CC[N@@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL300019889973	0	48	0.0	-70.41	346.17	4.58	-65.83
CC[N@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL300019889973	1	48	0.0	-68.64	346.62	4.87	-63.77
CC[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL300019889973	1	48	0.0	-70.41	346.17	4.58	-65.83
CC[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL300019889973	1	48	0.0	-68.64	346.62	4.87	-63.77
CC[N@@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCOCC1	REAL300019889974	0	51	0.0	-66.89	376.45	7.26	-59.63
CC[N@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCOCC1	REAL300019889974	1	51	0.0	-76.07	367.87	6.88	-69.19
CC[N@@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL300019889975	0	48	0.0	-56.28	356.76	5.35	-50.93
CC[N@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL300019889975	1	48	0.0	-56.28	356.80	5.35	-50.93
CC[N@@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOCC1	REAL300019889975	1	48	0.0	-56.28	356.76	5.35	-50.93
CC[N@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOCC1	REAL300019889975	1	48	0.0	-56.28	356.80	5.35	-50.93
C[N@H+]1CC(O)CC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019889994	1	42	0.0	-78.30	333.69	2.51	-75.79
C[N@H+](CCO)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019889996	0	41	0.0	-75.10	329.55	2.11	-72.99
C[N@@H+](CCO)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019889996	1	41	0.0	-75.27	329.62	2.08	-73.19
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@@H+]2CCSCC12	REAL300019890008	0	43	0.0	-74.94	335.11	5.25	-69.69
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@H+]2CCSCC12	REAL300019890008	1	43	0.0	-74.91	335.10	5.26	-69.65
O=C(NC1CCCN2CCSCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019890010	0	43	0.0	-63.44	350.06	4.47	-58.97
O=C(NC1CCCN2CCSCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019890010	1	43	0.0	-63.43	350.09	4.48	-58.95
O=C(NC1CCC[N@@H+]2CCSCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019890010	1	43	0.0	-63.52	349.99	4.47	-59.05
O=C(NC1CCC[N@H+]2CCSCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019890010	1	43	0.0	-63.43	350.03	4.46	-58.97
O=C(NC1CCC[N@@H+]2CCSCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019890010	1	43	0.0	-63.52	349.99	4.47	-59.05
O=C(NC1CCC[N@H+]2CCSCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019890010	1	43	0.0	-63.43	350.03	4.46	-58.97
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC([NH2+]C2CCOCC2)C1	REAL300019890056	0	46	0.0	-89.66	357.05	4.28	-85.38
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC([NH2+]C2CCOCC2)C1	REAL300019890056	1	46	0.0	-90.47	356.58	4.28	-86.19
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC([NH2+]C2CCOCC2)C1	REAL300019890057	0	43	0.0	-68.44	346.89	1.91	-66.53
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC([NH2+]C2CCOCC2)C1	REAL300019890057	1	43	0.0	-68.39	346.96	1.92	-66.47
O=C(CCCC1=N[N-]N=N1)N1CCC([NH2+]C2CCOCC2)CC1	REAL300019890058	0	49	0.0	-79.25	365.00	3.41	-75.84
O=C(CCCC1=NN=N[N-]1)N1CCC([NH2+]C2CCOCC2)CC1	REAL300019890058	1	49	0.0	-79.26	365.06	3.42	-75.84
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([NH2+]C2CCOCC2)CC1	REAL300019890059	0	52	0.0	-82.77	388.39	5.98	-76.79
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC([NH2+]C2CCOCC2)CC1	REAL300019890059	1	52	0.0	-78.88	388.40	5.94	-72.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([NH2+]C2CCOCC2)CC1	REAL300019890060	0	49	0.0	-65.17	372.70	3.65	-61.52
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH2+]C2CCOCC2)CC1	REAL300019890060	1	49	0.0	-65.08	372.77	3.65	-61.43
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CN(CC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300019890070	0	48	0.0	-78.91	398.73	6.84	-72.07
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CN(CC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300019890070	1	48	0.0	-78.79	398.55	6.80	-71.99
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300019890070	1	48	0.0	-78.95	398.79	6.86	-72.09
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300019890070	1	48	0.0	-78.88	398.61	6.82	-72.06
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300019890070	1	48	0.0	-78.95	398.79	6.86	-72.09
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300019890070	1	48	0.0	-78.88	398.61	6.82	-72.06
C[N@H+](CCOC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019890075	0	55	0.0	-74.41	437.96	8.63	-65.78
C[N@@H+](CCOC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019890075	1	55	0.0	-77.14	438.24	8.64	-68.50
C[N@H+](CCOC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019890075	1	55	0.0	-74.41	437.96	8.63	-65.78
C[N@@H+](CCOC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019890075	1	55	0.0	-77.14	438.24	8.64	-68.50
CN(C)C1=CC=[NH+]C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019890129	0	43	0.0	-67.48	352.64	5.35	-62.13
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019896723	0	43	0.0	-48.65	338.05	4.42	-44.23
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019896723	1	43	0.0	-52.51	336.99	4.60	-47.91
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019896723	1	43	0.0	-48.64	338.00	4.42	-44.22
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019896723	1	43	0.0	-52.54	336.95	4.60	-47.94
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896839	1	39	0.0	-47.01	310.30	5.79	-41.22
C[N@H+]1CCCCC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896839	1	39	0.0	-46.39	320.26	6.02	-40.37
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019897019	0	45	0.0	-63.96	378.08	8.71	-55.25
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019897019	1	45	0.0	-63.97	378.12	8.72	-55.25
O=C(CC[N@H+]1CCC(F)C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897032	0	39	0.0	-54.34	331.55	6.14	-48.20
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897032	1	39	0.0	-54.26	331.67	6.20	-48.06
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019897037	1	39	0.0	-53.65	341.94	6.12	-47.53
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019897038	0	45	0.0	-49.81	356.14	7.16	-42.65
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019897038	1	45	0.0	-49.15	356.65	7.17	-41.98
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019897038	1	45	0.0	-49.83	356.09	7.16	-42.67
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019897038	1	45	0.0	-49.09	356.61	7.17	-41.92
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300019897039	1	43	0.0	-53.05	368.38	7.34	-45.71
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019897040	0	45	0.0	-51.95	360.98	7.39	-44.56
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019897040	1	45	0.0	-47.44	354.73	7.59	-39.85
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019897040	1	45	0.0	-51.91	360.93	7.39	-44.52
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019897040	1	45	0.0	-47.45	354.69	7.59	-39.86
C[N@@H+]1CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300019897041	0	39	0.0	-55.45	340.93	6.21	-49.24
C[N@H+]1CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300019897041	1	39	0.0	-57.02	335.63	5.88	-51.14
CC(CC[NH+](C)C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019897042	0	41	0.0	-55.27	338.72	6.27	-49.00
CC(CC[NH+](C)C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897042	1	41	0.0	-55.33	338.76	6.27	-49.06
C[N@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300019897116	1	43	0.0	-45.36	347.95	3.79	-41.57
C[N@@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300019897116	1	43	0.0	-45.61	347.73	3.65	-41.96
O=C(C[NH+]1CCC(CO)CC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897146	1	43	0.0	-50.11	350.88	3.55	-46.56
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019897152	0	42	0.0	-43.20	329.99	3.36	-39.84
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019897152	1	42	0.0	-50.46	330.57	3.32	-47.14
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897152	1	42	0.0	-43.22	330.04	3.36	-39.86
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897152	1	42	0.0	-50.47	330.64	3.32	-47.15
CC(C)C[NH+]1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019897181	0	48	0.0	-52.64	379.28	8.15	-44.49
CC(C)C[NH+]1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019897181	1	48	0.0	-52.66	379.24	8.14	-44.52
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019898620	0	46	0.0	-61.55	386.29	7.69	-53.86
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019898620	1	46	0.0	-61.58	386.34	7.69	-53.89
COC(=O)CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[NH+]1CCCCC1	REAL300019898653	1	48	0.0	-38.80	380.76	7.39	-31.41
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019898822	0	39	0.0	-54.49	327.96	6.14	-48.35
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019898822	1	39	0.0	-54.52	328.01	6.15	-48.37
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019898833	0	45	0.0	-47.15	349.51	7.07	-40.08
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019898833	1	45	0.0	-47.20	349.53	7.05	-40.15
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019898894	0	48	0.0	-48.83	369.67	8.28	-40.55
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019898894	1	48	0.0	-48.77	372.50	8.30	-40.47
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019898894	1	48	0.0	-48.79	369.61	8.28	-40.51
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019898894	1	48	0.0	-48.73	372.45	8.30	-40.43
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019898895	0	42	0.0	-47.76	334.27	6.87	-40.89
CC[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019898895	1	42	0.0	-48.71	333.70	6.85	-41.86
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019898895	1	42	0.0	-47.77	334.23	6.87	-40.90
CC[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019898895	1	42	0.0	-48.70	333.66	6.85	-41.85
C[N@@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019899099	0	44	0.0	-73.76	337.90	6.81	-66.95
C[N@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019899099	1	44	0.0	-73.71	338.07	6.80	-66.91
C[N@@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019899099	1	44	0.0	-73.50	337.97	6.83	-66.67
C[N@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019899099	1	44	0.0	-73.49	338.15	6.81	-66.68
C[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019899100	0	41	0.0	-55.76	324.11	3.72	-52.04
C[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019899100	1	41	0.0	-54.50	318.47	3.20	-51.30
C[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019899100	1	41	0.0	-55.78	324.05	3.71	-52.07
C[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019899100	1	41	0.0	-54.50	318.40	3.19	-51.31
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903593	0	52	0.0	-57.10	400.14	8.57	-48.53
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903593	1	52	0.0	-57.37	400.08	8.56	-48.81
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903593	1	52	0.0	-57.12	400.20	8.58	-48.54
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903593	1	52	0.0	-57.40	400.14	8.57	-48.83
C[NH+](C)C(CC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019903630	0	45	0.0	-45.57	342.17	6.32	-39.25
C[NH+](C)C(CC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019903630	1	45	0.0	-45.59	342.23	6.35	-39.24
O=C(CCCC[NH+]1CCOCC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903701	1	46	0.0	-72.39	353.07	4.00	-68.39
O=C(CCCC[NH+]1CCOCC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903701	1	46	0.0	-72.39	353.12	4.02	-68.37
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903918	0	56	0.0	-75.68	428.57	9.49	-66.19
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903918	1	56	0.0	-74.69	427.94	9.44	-65.25
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903918	1	56	0.0	-75.68	428.63	9.51	-66.17
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903918	1	56	0.0	-74.72	428.00	9.47	-65.25
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903972	0	49	0.0	-52.65	371.16	7.01	-45.64
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903972	1	49	0.0	-52.71	371.23	7.01	-45.70
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903993	0	46	0.0	-51.10	347.01	6.03	-45.07
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903993	1	46	0.0	-51.11	347.10	6.03	-45.08
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019903995	1	56	0.0	-65.15	422.24	4.08	-61.07
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904004	0	48	0.0	-50.13	358.98	6.26	-43.87
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904004	1	48	0.0	-50.11	359.04	6.26	-43.85
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CC(C)[N@@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019914857	1	48	0.0	-59.98	355.48	5.93	-54.05
CC(C)[N@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019914857	1	48	0.0	-55.44	347.82	6.10	-49.34
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CC1CC2CCC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C[N@@H+]2C1	REAL300019915102	0	49	0.0	-54.50	355.05	6.46	-48.04
CC1CC2CCC(C(=O)N3CCC(CC4=N[N-]N=N4)C3)C[N@H+]2C1	REAL300019915102	1	49	0.0	-59.32	365.35	6.48	-52.84
CC1CC2CCC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C[N@@H+]2C1	REAL300019915102	1	49	0.0	-54.56	355.11	6.48	-48.08
CC1CC2CCC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C[N@H+]2C1	REAL300019915102	1	49	0.0	-59.28	365.41	6.50	-52.78
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019915172	0	52	0.0	-62.87	397.09	8.07	-54.80
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019915172	1	52	0.0	-62.83	397.15	8.08	-54.75
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019915172	1	52	0.0	-61.80	397.90	8.33	-53.47
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019915196	0	53	0.0	-80.30	419.30	7.68	-72.62
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019915196	1	53	0.0	-80.33	419.36	7.70	-72.63
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019917069	0	49	0.0	-82.18	379.26	6.00	-76.18
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019917069	1	49	0.0	-82.23	379.31	6.01	-76.22
COC(=O)CC(C(=O)N1CCC(CC2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019917115	0	51	0.0	-59.98	379.89	7.09	-52.89
C[NH+](C)C1CCC2CN(C(=O)CCCC3=N[N-]N=N3)CC2C1	REAL300019917446	0	48	0.0	-74.88	358.11	6.14	-68.74
C[NH+](C)C1CCC2CN(C(=O)CCCC3=NN=N[N-]3)CC2C1	REAL300019917446	1	48	0.0	-74.87	358.17	6.15	-68.72
C[NH+](C)C1CCC2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2C1	REAL300019917447	0	51	0.0	-68.06	378.01	8.58	-59.48
C[NH+](C)C1CCC2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2C1	REAL300019917447	1	51	0.0	-66.27	378.30	8.58	-57.69
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2C1	REAL300019917448	0	48	0.0	-62.40	358.35	6.51	-55.89
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2C1	REAL300019917448	1	48	0.0	-62.38	358.42	6.51	-55.87
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019922134	0	43	0.0	-49.43	339.05	4.48	-44.95
C[N@H+]1CCCC(O)(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019922134	1	43	0.0	-48.81	348.74	4.68	-44.13
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019922134	1	43	0.0	-49.43	339.00	4.48	-44.95
C[N@H+]1CCCC(O)(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019922134	1	43	0.0	-48.75	348.70	4.67	-44.08
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019924031	0	46	0.0	-60.95	386.36	7.68	-53.27
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019924031	1	46	0.0	-60.84	385.39	7.67	-53.17
COC(=O)CC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[NH+]1CCCCC1	REAL300019924064	1	48	0.0	-43.30	383.22	8.14	-35.16
CC[NH+](CC)CCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019924322	0	51	0.0	-66.36	396.41	6.39	-59.97
CC[NH+](CC)CCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019924322	1	51	0.0	-66.35	396.46	6.40	-59.95
CC[NH+](CC)CCOC1=CC=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019924323	0	54	0.0	-69.17	417.74	8.95	-60.22
CC[NH+](CC)CCOC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019924324	0	51	0.0	-59.18	407.06	6.18	-53.00
CC[NH+](CC)CCOC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019924324	1	51	0.0	-59.21	406.99	6.17	-53.04
O=C(CCCC[NH+]1CCCC1)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019924779	0	45	0.0	-52.43	374.30	7.83	-44.60
O=C(CCCC[NH+]1CCCC1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924779	1	45	0.0	-52.40	374.35	7.84	-44.56
CC[NH+](CC)CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924798	0	38	0.0	-43.03	318.69	5.86	-37.17
C#CC[NH+]1CCC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC1	REAL300019924806	0	41	0.0	-53.04	352.04	7.33	-45.71
CC(C)[N@H+](C)CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924808	0	38	0.0	-41.75	317.44	5.74	-36.01
CC(C)[N@@H+](C)CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924808	1	38	0.0	-43.32	316.43	5.70	-37.62
O=C(CC[NH+]1CCOCC1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924833	1	40	0.0	-49.86	338.30	4.53	-45.33
CC1=[NH+]C=CN1CCCC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924853	1	40	0.0	-47.86	353.99	7.43	-40.43
CC(C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)[NH+]1C(C)CCC1C	REAL300019924856	0	45	0.0	-39.54	352.40	6.88	-32.66
C[NH+](C)CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924883	1	32	0.0	-45.70	283.03	4.53	-41.17
C[NH+](C)CCCCC(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019924894	0	41	0.0	-53.99	348.35	6.66	-47.33
C[NH+](C)CCCCC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924894	1	41	0.0	-53.89	348.39	6.66	-47.23
CCCCCC[N@H+](C)CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924896	0	47	0.0	-45.09	386.75	8.28	-36.81
CCCCCC[N@@H+](C)CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924896	1	47	0.0	-45.12	386.74	8.29	-36.83
CCC[N@H+](C)CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924908	0	38	0.0	-44.21	322.25	5.95	-38.26
CCC[N@@H+](C)CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924908	1	38	0.0	-44.20	322.25	5.95	-38.25
CC(C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)N1CC[NH+](C)CC1	REAL300019924916	1	44	0.0	-53.76	353.77	4.33	-49.43
CC(C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)[NH+]1CCCCCC1	REAL300019924946	0	45	0.0	-41.60	351.82	6.92	-34.68
CC[N@@H+]1CCOC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019924960	1	40	0.0	-38.28	329.74	5.34	-32.94
CC[N@H+]1CCOC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019924960	1	40	0.0	-44.31	338.50	5.52	-38.79
C[N@@H+]1CCCC1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924987	1	36	0.0	-41.77	308.63	5.46	-36.31
C[N@H+]1CCCC1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019924987	1	36	0.0	-44.11	309.42	5.56	-38.55
CC1CCC(C)[NH+]1CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019925007	0	42	0.0	-41.17	338.75	6.40	-34.77
C[NH+]1CCC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC1	REAL300019925023	0	39	0.0	-52.83	327.40	6.18	-46.65
C[NH+]1CCC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)CC1	REAL300019925023	1	39	0.0	-52.81	327.35	6.17	-46.64
CCC(C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)[NH+](CC)CC	REAL300019925028	0	44	0.0	-40.03	344.57	6.65	-33.38
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019925073	1	39	0.0	-44.12	323.84	6.09	-38.03
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019925073	1	39	0.0	-43.56	315.11	5.91	-37.65
CC1CC[NH+](CC(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC1	REAL300019925136	1	42	0.0	-43.43	346.02	7.01	-36.42
O=C(CC[N@H+]1CCC(F)C1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926368	0	39	0.0	-51.29	337.21	6.34	-44.95
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926368	1	39	0.0	-52.43	336.63	6.31	-46.12
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)O1	REAL300019926371	1	39	0.0	-55.86	345.51	6.22	-49.64
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019926372	0	45	0.0	-46.97	362.15	7.30	-39.67
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019926372	1	45	0.0	-42.57	355.89	7.51	-35.06
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C1	REAL300019926372	1	45	0.0	-46.98	362.10	7.30	-39.68
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C1	REAL300019926372	1	45	0.0	-42.58	355.84	7.51	-35.07
CCC[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019926373	0	45	0.0	-49.08	367.02	7.53	-41.55
CCC[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019926373	1	45	0.0	-45.02	359.29	7.71	-37.31
CCC[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C1	REAL300019926373	1	45	0.0	-49.01	366.97	7.53	-41.48
CCC[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C1	REAL300019926373	1	45	0.0	-45.00	359.25	7.70	-37.30
CC(CC[NH+](C)C)C(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926374	0	41	0.0	-53.52	343.25	6.40	-47.12
CC(CC[NH+](C)C)C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926374	1	41	0.0	-53.53	343.29	6.40	-47.13
C[N@H+](CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300019926404	1	43	0.0	-42.71	352.51	3.90	-38.81
C[N@@H+](CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300019926404	1	43	0.0	-42.97	352.29	3.76	-39.21
O=C(C[NH+]1CCC(CO)CC1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926417	1	43	0.0	-45.78	355.42	3.68	-42.10
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926421	0	42	0.0	-41.99	334.53	3.46	-38.53
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926421	1	42	0.0	-48.54	335.13	3.44	-45.10
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926421	1	42	0.0	-42.06	334.58	3.46	-38.60
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926421	1	42	0.0	-48.58	335.19	3.45	-45.13
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926463	0	42	0.0	-40.23	334.77	6.56	-33.67
CC(C)[N@H+]1CCCC1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926463	1	42	0.0	-40.13	334.65	6.54	-33.59
CC(C)(C)[NH2+]CCC(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926470	0	41	0.0	-49.79	343.49	4.80	-44.99
CC(C)(C)[NH2+]CCC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926470	1	41	0.0	-49.79	343.53	4.83	-44.96
C[NH+]1CCC(OCC(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)CC1	REAL300019926478	0	43	0.0	-56.66	361.91	6.49	-50.17
C[NH+]1CCC(OCC(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC1	REAL300019926478	1	43	0.0	-56.87	362.97	6.52	-50.35
C[NH+](C)CC(O)CC(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926499	0	39	0.0	-54.58	335.69	3.44	-51.14
C[NH+](C)CC(O)CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926499	1	39	0.0	-54.54	335.73	3.45	-51.09
CC(C[NH+](C)C)C(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926501	0	38	0.0	-50.27	321.61	5.78	-44.49
CC(C[NH+](C)C)C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926501	1	38	0.0	-50.28	321.66	5.79	-44.49
C[NH+](C)CC=CC(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926503	0	36	0.0	-53.70	320.19	5.77	-47.93
C[NH+](C)CC=CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926503	1	36	0.0	-53.70	320.24	5.77	-47.93
C=CCC(C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019926573	0	39	0.0	-45.06	330.47	6.22	-38.84
C[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019926580	0	39	0.0	-47.02	320.60	6.32	-40.70
C[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019926580	1	39	0.0	-49.47	327.40	6.13	-43.34
C[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C1	REAL300019926580	1	39	0.0	-46.98	320.55	6.31	-40.67
C[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C1	REAL300019926580	1	39	0.0	-49.44	327.36	6.13	-43.31
C[N@H+]1CC=C(CC(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC1	REAL300019926609	0	40	0.0	-53.72	341.14	6.83	-46.89
C[N@@H+]1CC=C(CC(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC1	REAL300019926609	1	40	0.0	-52.54	341.16	6.82	-45.72
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1CC[N@@H+]2CCOCC12	REAL300019926671	0	41	0.0	-51.27	341.56	4.80	-46.47
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1CC[N@H+]2CCOCC12	REAL300019926671	1	41	0.0	-49.57	341.00	4.77	-44.80
C[NH+](C)CCSCC(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926843	0	39	0.0	-55.62	349.88	6.44	-49.18
C[NH+](C)CCSCC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926843	1	39	0.0	-55.65	349.92	6.46	-49.19
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019926844	1	41	0.0	-42.18	336.71	7.18	-35.00
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL300019926844	1	41	0.0	-40.30	340.03	7.64	-32.66
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(Br)=CC=C3C3=NN=N[N-]3)=CN21	REAL300019926857	0	37	0.0	-48.23	334.61	7.80	-40.43
CC[N@@H+]1CCOCC1CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926863	1	43	0.0	-51.78	345.71	4.82	-46.96
CC[N@H+]1CCOCC1CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926863	1	43	0.0	-51.52	345.38	4.84	-46.68
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C1	REAL300019927124	0	39	0.0	-49.77	331.69	6.21	-43.56
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019927124	1	39	0.0	-49.72	331.73	6.21	-43.51
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)CC1	REAL300019927131	0	45	0.0	-52.00	354.53	7.18	-44.82
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC1	REAL300019927131	1	45	0.0	-51.99	354.56	7.17	-44.82
CC[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019927160	0	42	0.0	-49.40	344.02	6.76	-42.64
CC[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019927160	1	42	0.0	-43.85	339.23	7.00	-36.85
CC[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C1	REAL300019927160	1	42	0.0	-49.44	343.98	6.76	-42.68
CC[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C1	REAL300019927160	1	42	0.0	-43.85	339.18	6.99	-36.86
CC1(CN2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=N2)COC1	REAL300019931612	1	43	0.0	-13.15	340.41	1.65	-11.50
N#CC1CC2(C1)CC(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019931613	1	41	0.0	-14.85	326.42	5.44	-9.41
COC1=CC2=C(C=C1C(=O)N1CCN(C3=NNN=N3)CC1)OCO2	REAL300019931614	1	40	0.0	-13.12	324.17	2.34	-10.78
CCC1CC(CC(=O)N2CCN(C3=NNN=N3)CC2)CCO1	REAL300019931615	1	46	0.0	-11.19	345.08	4.53	-6.66
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1N1C=NN=N1	REAL300019931616	1	42	0.0	-19.72	341.22	3.70	-16.02
O=C(C=CC1=CC=C(O)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931617	1	38	0.0	-13.27	312.07	2.72	-10.55
CC(C)(C)C(Br)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931618	1	38	0.0	-9.24	299.95	4.20	-5.04
O=C(CCC1=CC=C(O)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931621	1	40	0.0	-12.28	324.70	3.03	-9.25
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CN(C)C1=NC2=CC=CC=C2C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931628	1	46	0.0	-13.91	361.11	5.95	-7.96
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CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCN(C(=O)C2=CC=CC=C2)CC1	REAL300019931632	1	56	0.0	-14.21	402.31	6.42	-7.79
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COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(OC)=C1C(C)C	REAL300019931634	1	50	0.0	-11.62	378.61	5.00	-6.62
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CC(O)(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019931638	1	43	0.0	-13.41	333.71	4.05	-9.36
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CC(C)(C)OC(=O)NC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL300019931643	1	53	0.0	-17.00	403.07	4.44	-12.56
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CC(C)(C)OC(=O)NCCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931648	1	52	0.0	-16.50	401.75	3.40	-13.10
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COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(OCCC(C)C)=C1	REAL300019931678	1	53	0.0	-13.73	408.78	5.98	-7.75
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CC(C)CC1=CC=C([C@H](C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931695	1	51	0.0	-11.31	387.94	8.17	-3.14
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C(Cl)S1	REAL300019931698	1	32	0.0	-8.04	285.84	3.17	-4.87
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CC(C)CN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C1=CC=CC=C1	REAL300019931702	1	52	0.0	-11.83	407.25	7.20	-4.63
CCCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(OC(C)C)=C1	REAL300019931703	1	53	0.0	-13.89	409.62	6.33	-7.56
CC(=O)NCC1CCN2N=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C1	REAL300019931704	1	50	0.0	-19.02	390.08	2.53	-16.49
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COC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1F	REAL300019931707	1	43	0.0	-11.07	325.02	4.52	-6.55
CCCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(OCCC)=C1	REAL300019931708	1	53	0.0	-13.62	414.21	6.47	-7.15
O=C(C1=CN=C(OCC2=CC=CC=C2)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931709	1	45	0.0	-9.69	370.98	3.70	-5.99
CC1=C(Br)C=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931710	1	39	0.0	-12.79	327.10	6.05	-6.74
CCC1=NN(C)C(CC)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931711	1	48	0.0	-16.17	372.74	5.23	-10.94
CCOC1=C(Cl)C=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931712	1	43	0.0	-14.88	359.96	5.93	-8.95
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC=C1Cl	REAL300019931713	1	46	0.0	-13.66	383.94	7.03	-6.63
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CC1=CN2C=CN=C(C(=O)N3CCN(C4=NNN=N4)CC3)C2=N1	REAL300019931715	1	38	0.0	-19.54	311.41	4.35	-15.19
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C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931719	1	40	0.0	-14.16	331.53	5.84	-8.32
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COC1=CC=CC(C(=O)C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)=C1	REAL300019931721	1	49	0.0	-18.59	393.51	6.58	-12.01
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CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CO1	REAL300019931724	1	50	0.0	-13.49	396.15	2.67	-10.82
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931725	1	54	0.0	-13.05	410.62	5.77	-7.28
O=C(C1=CNN=C1C1=CC2=CC=CC=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019931726	1	43	0.0	-21.08	358.87	4.67	-16.41
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CCC(=O)C1=CC=C(OCCCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931728	1	54	0.0	-16.81	428.05	7.55	-9.26
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CC(OC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1)C1=CC=CC=C1	REAL300019931730	1	50	0.0	-12.02	394.45	7.92	-4.10
CC(=O)NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019931731	1	43	0.0	-14.81	340.67	3.83	-10.98
CC(=O)NC1=CC=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931732	1	43	0.0	-17.21	343.99	3.57	-13.64
CC(C)(C)OC(=O)NCCCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931733	1	55	0.0	-14.77	423.25	4.18	-10.59
CC(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019931734	1	42	0.0	-11.25	340.96	6.37	-4.88
C#CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL300019931735	1	44	0.0	-12.14	320.66	5.46	-6.68
O=C(C1=CC(N2CCNC(=O)C2)=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931736	1	45	0.0	-20.16	347.09	-0.23	-20.39
CC1C(=O)CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019931737	1	47	0.0	-15.24	334.23	5.01	-10.23
CCCN1C(C(=O)N2CCN(C3=NNN=N3)CC2)=CC2=CC=CC=C21	REAL300019931738	1	46	0.0	-10.90	358.21	7.19	-3.71
O=C(CC1CCC2(CC1)OCCO2)N1CCN(C2=NNN=N2)CC1	REAL300019931739	1	48	0.0	-12.85	357.61	4.23	-8.62
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300019931740	1	43	0.0	-11.77	355.46	6.92	-4.85
O=C(C1=CNN=C1C1=CSC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931741	1	37	0.0	-14.62	315.59	3.17	-11.45
COC1C2CC3CC1CC(C(=O)N1CCN(C4=NNN=N4)CC1)(C3)C2	REAL300019931743	1	51	0.0	-10.41	354.35	4.85	-5.56
CN1C=C(C2=NN(C)C=C2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019931744	1	43	0.0	-18.93	355.53	3.22	-15.71
CC1=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C2=CC=CC=C2)O1	REAL300019931745	1	46	0.0	-12.29	371.25	7.39	-4.90
CCCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019931746	1	42	0.0	-9.90	344.85	6.63	-3.27
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300019931747	1	43	0.0	-12.29	362.04	6.98	-5.31
CCCCCC(C)(CC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931748	1	50	0.0	-9.93	356.30	6.01	-3.92
O=C(C1=CN(C2=CC=CC(Cl)=C2)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931749	1	39	0.0	-10.02	338.70	4.86	-5.16
CC1=CC2=C(Br)C=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2O1	REAL300019931751	1	39	0.0	-14.44	338.86	5.86	-8.58
O=C(C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1)C1=CC=CC(O)=C1	REAL300019931752	1	46	0.0	-16.42	374.62	4.41	-12.01
O=C(C1=CNC(=O)C2=CC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019931753	1	39	0.0	-15.22	321.69	3.32	-11.90
COC1=CC=C(SCCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931754	1	47	0.0	-15.76	383.45	6.40	-9.36
CN(CC(=O)N1CCN(C2=NNN=N2)CC1)C1CCS(=O)(=O)C1	REAL300019931755	1	44	0.0	-20.83	346.08	-0.91	-21.74
COC1=CC=CC(CC(O)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931756	1	44	0.0	-14.39	349.32	2.83	-11.56
O=C(CC1=CC(C(F)(F)F)=CC(Cl)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931757	1	38	0.0	-15.66	341.68	4.86	-10.80
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931758	1	47	0.0	-22.23	362.60	4.41	-17.82
CC1C(C(=O)N2CCN(C3=NNN=N3)CC2)CCN1C(=O)OC(C)(C)C	REAL300019931759	1	53	0.0	-14.80	390.12	4.78	-10.02
O=C(CC1=CC=C(Br)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931760	1	36	0.0	-13.78	328.41	6.15	-7.63
NC(=O)C1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931761	1	43	0.0	-18.67	328.85	1.14	-17.53
CCC1=CC=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931762	1	42	0.0	-11.99	327.90	6.19	-5.80
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931763	1	43	0.0	-13.42	350.42	6.51	-6.91
CC1=CC=C(Br)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931765	1	35	0.0	-12.11	307.81	3.39	-8.72
O=C(C1=NOC2=C1CCCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019931766	1	42	0.0	-9.10	318.06	5.07	-4.03
CC(=O)[C@@H]1C[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019931767	1	44	0.0	-12.76	322.53	5.26	-7.50
COC1=CC(C)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931768	1	40	0.0	-13.95	317.92	4.70	-9.25
O=C(C1=CC(Cl)=NC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019931769	1	32	0.0	-9.95	294.68	3.19	-6.76
O=C(C1=NNN=C1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931770	1	39	0.0	-10.36	316.09	3.19	-7.17
CN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N1C=NN=C1	REAL300019931771	1	39	0.0	-17.31	321.70	5.40	-11.91
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=CC=C2F)CC1	REAL300019931772	1	43	0.0	-13.83	340.14	6.76	-7.07
COC1=CC=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1OC	REAL300019931773	1	41	0.0	-13.42	340.47	3.60	-9.82
CC1=CC=CC=C1C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019931774	1	46	0.0	-10.05	338.39	6.56	-3.49
COC1=CC=C(OC)C(C2CC2C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931775	1	48	0.0	-13.89	369.28	4.93	-8.96
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CN=C1Br	REAL300019931776	1	36	0.0	-12.84	312.15	2.12	-10.72
COCCOC1=CC(OC)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931777	1	48	0.0	-16.66	381.84	3.23	-13.43
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(OCC2CC2)=C1	REAL300019931778	1	48	0.0	-14.18	379.73	5.51	-8.67
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(Cl)=C1F	REAL300019931779	1	42	0.0	-8.86	328.37	6.05	-2.81
COCCN1N=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931780	1	40	0.0	-12.32	319.77	1.70	-10.62
O=C(C1=C(C2=CC=CC=C2)SC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931781	1	39	0.0	-13.15	334.88	5.10	-8.05
CC(C)(CC(=O)N1CCN(C2=NNN=N2)CC1)CC1=CC=C(Cl)C=C1	REAL300019931782	1	48	0.0	-12.07	374.77	7.89	-4.18
O=C(C1=CC=C(Cl)C=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019931783	1	36	0.0	-12.50	318.01	5.49	-7.01
COC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019931784	1	39	0.0	-14.31	330.06	4.82	-9.49
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931785	1	51	0.0	-13.02	385.72	3.86	-9.16
COC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC=C1	REAL300019931786	1	44	0.0	-14.56	364.02	4.27	-10.29
CC1=CC2=C(C=C1C)C(C(=O)N1CCN(C3=NNN=N3)CC1)CO2	REAL300019931787	1	44	0.0	-14.87	340.18	5.07	-9.80
O=C(C1=CC=C(OC(F)F)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931788	1	36	0.0	-11.13	301.57	2.62	-8.51
CC1=C(Br)SC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931789	1	33	0.0	-10.28	297.26	4.36	-5.92
O=C(C1=CC(O)=CC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019931791	1	37	0.0	-14.75	312.99	2.17	-12.58
CN1C(C(=O)N2CCN(C3=NNN=N3)CC2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300019931792	1	45	0.0	-17.62	361.49	6.38	-11.24
CC1CN(C2=CC=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)CC(C)O1	REAL300019931793	1	51	0.0	-11.34	388.98	3.42	-7.92
CC1=CC=C(N2C=NN=C2)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931795	1	42	0.0	-18.50	343.67	7.88	-10.62
O=C(CC1=C2CCCCC2=NN1)N1CCN(C2=NNN=N2)CC1	REAL300019931796	1	43	0.0	-16.44	334.91	3.78	-12.66
O=C(C1=CN=C(Cl)C(C2CC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931797	1	39	0.0	-9.81	326.43	4.62	-5.19
CC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N=C1C	REAL300019931798	1	43	0.0	-13.71	340.26	4.04	-9.67
O=C(C1=NN(CC2=CC=CC=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931799	1	43	0.0	-13.17	351.37	6.28	-6.89
COCCN1C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019931800	1	40	0.0	-11.83	325.36	2.36	-9.47
CC(C)(C)OC(=O)NCC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931801	1	53	0.0	-15.35	415.00	4.47	-10.88
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019931802	1	54	0.0	-14.95	414.10	7.00	-7.95
C=CCSC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931803	1	41	0.0	-12.82	340.20	6.41	-6.41
O=C(C(O)C(O)C1=NC2=CC=CC=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019931804	1	44	0.0	-15.40	352.83	-0.42	-15.82
CC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019931805	1	39	0.0	-13.03	331.79	6.26	-6.77
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=C(F)C=C2)CC1	REAL300019931806	1	43	0.0	-13.88	349.30	6.92	-6.96
O=C(CCCC[NH+]1CCOCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931807	1	48	0.0	-67.48	361.85	4.46	-63.02
CS(=O)C1=CC=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931808	1	41	0.0	-18.44	333.77	4.31	-14.13
CSC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019931809	1	39	0.0	-24.56	337.94	6.01	-18.55
CC(=O)CCC1=CC=C(OCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931810	1	48	0.0	-18.97	388.80	7.13	-11.84
COC1=CC=C(OC)C(NC(=O)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931811	1	45	0.0	-11.04	360.30	1.22	-9.82
O=C(C1=CC=C(C(F)(F)F)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931812	1	36	0.0	-12.80	311.39	5.09	-7.71
CC(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019931813	1	44	0.0	-17.20	346.21	6.31	-10.89
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=CC=C2Cl)CC1	REAL300019931814	1	43	0.0	-12.28	342.03	6.56	-5.72
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300019931815	1	47	0.0	-13.44	388.67	6.56	-6.88
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931816	1	51	0.0	-12.92	384.76	3.81	-9.11
O=C(CC1=CC2=NNC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931817	1	39	0.0	-19.15	318.50	3.77	-15.38
CC(O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931818	1	52	0.0	-12.23	396.97	0.05	-12.18
O=C(C1=CSC(C(F)(F)F)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931820	1	32	0.0	-8.95	292.95	2.98	-5.97
CC1=NC(C#N)=C(N2CCC(C(=O)N3CCN(C4=NNN=N4)CC3)CC2)O1	REAL300019931821	1	48	0.0	-17.75	381.92	0.81	-16.94
CN(C)C1=CC=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931822	1	47	0.0	-11.59	366.17	6.28	-5.31
CN1N=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931823	1	35	0.0	-12.52	295.18	3.46	-9.06
COC1=NC(C)=C(Br)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931824	1	39	0.0	-11.59	334.07	2.25	-9.34
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931825	1	49	0.0	-10.29	370.04	2.41	-7.88
COCCOC1=CC=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931826	1	48	0.0	-15.84	386.07	5.05	-10.79
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931827	1	43	0.0	-14.29	353.92	6.33	-7.96
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CN(C)C2=CC=CC=C12	REAL300019931828	1	46	0.0	-11.00	362.12	7.17	-3.83
COC1=CC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019931829	1	40	0.0	-10.21	331.96	4.58	-5.63
CCCCN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)=N1	REAL300019931830	1	45	0.0	-14.46	355.96	4.81	-9.65
CN1N=C2C=CC=CC2=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931831	1	39	0.0	-13.02	320.22	4.10	-8.92
CC1=COC(C2=CC=CC=C2)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931832	1	43	0.0	-12.22	350.17	6.61	-5.61
CCOC1=C2C(CC(=O)N3CCN(C4=NNN=N4)CC3)=CNC2=CC=C1	REAL300019931833	1	47	0.0	-16.19	374.20	5.39	-10.80
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC(CC2CC2)=N1	REAL300019931834	1	42	0.0	-9.55	337.05	2.81	-6.74
CC(C)(C)C1=CN=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019931836	1	47	0.0	-12.20	372.14	3.33	-8.87
O=C(CC1=CC=C(F)C=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019931837	1	36	0.0	-12.54	316.37	5.62	-6.92
O=C(C1=NNC2=C1CCCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019931838	1	43	0.0	-11.10	321.71	3.91	-7.19
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(CC2CC2)=N1	REAL300019931839	1	42	0.0	-10.41	346.18	4.80	-5.61
CC1=C(C)C=C2C(C(=O)N3CCN(C4=NNN=N4)CC3)=COC2=C1	REAL300019931840	1	42	0.0	-14.83	334.39	5.74	-9.09
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NC(C(F)(F)F)=N1	REAL300019931841	1	37	0.0	-8.94	319.22	3.87	-5.07
COCC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931842	1	43	0.0	-13.43	347.36	4.80	-8.63
C=CCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019931843	1	43	0.0	-10.73	340.44	6.64	-4.09
COCCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019931844	1	44	0.0	-14.80	368.86	4.08	-10.72
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931845	1	45	0.0	-14.55	373.91	7.66	-6.89
O=C(C1=CN2C=C(C(F)(F)F)N=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931846	1	39	0.0	-14.62	339.54	5.70	-8.92
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2=CC=CC=C2C)=N1	REAL300019931847	1	45	0.0	-11.00	368.20	6.85	-4.15
COC1=NC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019931848	1	39	0.0	-15.86	322.99	0.27	-15.59
CCCCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019931849	1	46	0.0	-12.46	378.23	6.40	-6.06
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931850	1	45	0.0	-20.23	366.61	3.04	-17.19
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CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019931852	1	43	0.0	-17.65	359.19	0.13	-17.52
CNS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019931853	1	40	0.0	-17.71	340.30	-1.69	-19.40
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C(F)(F)F)O1	REAL300019931854	1	36	0.0	-13.03	309.60	4.09	-8.94
CCSCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019931855	1	39	0.0	-10.14	331.59	4.85	-5.29
CC(C)(C)OC(=O)N1CC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C1	REAL300019931856	1	54	0.0	-15.53	419.08	6.38	-9.15
O=C(C1=CN=C(C(F)(F)F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931857	1	34	0.0	-11.16	297.43	2.33	-8.83
CN(C)C1=NOC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019931858	1	42	0.0	-13.88	341.55	3.72	-10.16
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CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=C(OC)C=C1	REAL300019931860	1	50	0.0	-12.52	390.87	5.54	-6.98
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC=C1C	REAL300019931861	1	49	0.0	-12.10	383.47	7.23	-4.87
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300019931862	1	46	0.0	-11.27	378.67	6.78	-4.49
CC(C)(C)OCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019931863	1	45	0.0	-9.76	355.22	3.90	-5.86
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C[C@H](OCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931865	1	43	0.0	-14.75	342.88	5.93	-8.82
CC(C)(C)OC(=O)N1CCCCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931866	1	56	0.0	-14.58	400.59	7.73	-6.85
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CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(Cl)=N1	REAL300019931869	1	35	0.0	-9.91	301.22	3.32	-6.59
O=C(C1CCCN1C(=O)C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019931870	1	40	0.0	-16.93	328.64	3.03	-13.90
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CN(C(=O)OC(C)(C)C)C1	REAL300019931874	1	53	0.0	-16.99	405.20	4.84	-12.15
CC1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931875	1	56	0.0	-15.74	411.20	6.36	-9.38
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COC1=CC=C(CN2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=N2)C=C1OC	REAL300019931878	1	51	0.0	-16.85	409.68	4.81	-12.04
CC1=CC=C(C2=CNC=C2C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019931879	1	41	0.0	-16.80	342.90	5.52	-11.28
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CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCN(C4=NNN=N4)CC1)(C2)C3	REAL300019931884	1	56	0.0	-9.81	383.78	7.15	-2.66
CC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019931885	1	42	0.0	-10.63	351.24	6.99	-3.64
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COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(OC)=C1Cl	REAL300019931887	1	41	0.0	-15.42	345.49	3.69	-11.73
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931888	1	53	0.0	-19.59	401.96	5.17	-14.42
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CC(C)(C)C1=NN=C2C=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CN21	REAL300019931890	1	47	0.0	-15.80	369.38	6.56	-9.24
CCCCOC1=CC(OC)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931891	1	50	0.0	-13.82	391.21	5.46	-8.36
COC1=CC=C(F)C=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931892	1	40	0.0	-13.54	326.97	4.49	-9.05
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CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931894	1	43	0.0	-11.65	344.12	6.45	-5.20
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CCN1C=C(C2=NN(C)C=C2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019931902	1	46	0.0	-18.79	377.12	4.11	-14.68
O=C(CCC1=CN=CC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019931903	1	44	0.0	-12.80	351.54	6.22	-6.58
COC(=O)CC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931904	1	42	0.0	-15.16	344.05	5.46	-9.70
COC1=CC2=CC=C([C@H](C)C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1	REAL300019931906	1	49	0.0	-15.28	381.87	7.01	-8.27
CC(NC(=O)CC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931907	1	48	0.0	-10.16	362.78	3.04	-7.12
CCOC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019931908	1	47	0.0	-12.74	372.43	6.53	-6.21
CC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC(C)C	REAL300019931909	1	50	0.0	-12.03	390.69	7.17	-4.86
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC=C1OC	REAL300019931911	1	50	0.0	-14.87	398.13	5.80	-9.07
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CC1=NC=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019931913	1	34	0.0	-9.01	295.37	3.50	-5.51
O=C(C1=COC(C2CCCCC2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931914	1	45	0.0	-8.71	349.57	3.89	-4.82
NC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931915	1	37	0.0	-12.39	309.56	2.77	-9.62
O=C(CNC(=O)C1=CC=C(F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019931916	1	40	0.0	-13.65	337.54	2.97	-10.68
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CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931918	1	43	0.0	-16.55	351.27	4.44	-12.11
CCOC1=CN=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019931919	1	38	0.0	-8.94	311.07	0.64	-8.30
N#CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019931920	1	34	0.0	-11.89	303.37	4.82	-7.07
CC1=CN(C2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C(C)=NN2C)N=C1	REAL300019931922	1	46	0.0	-16.36	373.17	5.11	-11.25
O=C(C1=NC=CC(Cl)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019931923	1	32	0.0	-13.34	285.16	3.55	-9.79
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O=C(CNC(=O)C1=CC=C(F)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931926	1	40	0.0	-12.42	339.31	2.96	-9.46
O=C(CNC(=O)C1=CC2=C(CCC2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019931927	1	44	0.0	-12.41	364.62	3.84	-8.57
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019931928	1	40	0.0	-14.78	352.37	3.15	-11.63
O=C(C1=COC(CC2CC2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931929	1	39	0.0	-9.47	318.38	2.93	-6.54
C=CCCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019931930	1	46	0.0	-10.29	361.69	7.35	-2.94
CCOC(=O)C(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931931	1	52	0.0	-13.22	409.89	3.04	-10.18
O=C(C1COCCN1CC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019931932	1	42	0.0	-12.67	326.96	0.84	-11.83
CN1CCC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019931933	1	42	0.0	-10.86	328.62	3.90	-6.96
CCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CN(C)C1=O	REAL300019931934	1	42	0.0	-14.82	332.55	4.21	-10.61
CSCC(C)C(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931935	1	53	0.0	-17.95	406.78	5.60	-12.35
N#CC1=CC=CC(N2C=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019931937	1	41	0.0	-16.60	347.02	6.20	-10.40
CC1=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C(Br)S1	REAL300019931938	1	36	0.0	-10.36	323.85	5.18	-5.18
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931939	1	49	0.0	-11.59	391.20	4.95	-6.64
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=N1	REAL300019931940	1	41	0.0	-11.56	306.12	4.58	-6.98
O=C(CC1CC1(Cl)Cl)N1CCN(C2=NNN=N2)CC1	REAL300019931941	1	33	0.0	-10.22	296.27	4.67	-5.55
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931942	1	43	0.0	-11.70	350.53	6.52	-5.18
O=C(C(F)C1=CC=C(C(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931943	1	39	0.0	-13.16	333.65	6.07	-7.09
O=C(C1=CC2=C(C=N1)CCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019931944	1	42	0.0	-9.92	325.00	5.57	-4.35
CCC(C)(C)C1CCC(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931945	1	57	0.0	-9.99	395.15	7.83	-2.16
COC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2N=C1	REAL300019931946	1	42	0.0	-13.32	340.84	3.78	-9.54
CC(C)(CC(=O)C1=CC=CC=C1)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931947	1	50	0.0	-17.55	377.76	7.51	-10.04
COC1=COC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC1=O	REAL300019931949	1	36	0.0	-18.56	299.25	2.38	-16.18
O=C(C1=CC2=CC=NC=C2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931950	1	37	0.0	-13.78	304.06	2.67	-11.11
CC1=CN2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC2=C1	REAL300019931951	1	40	0.0	-10.96	326.15	6.51	-4.45
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC(C2=CC=CC=C2Cl)=NO1	REAL300019931952	1	44	0.0	-12.74	361.80	5.86	-6.88
O=C(C1=CN=C(C2OCCO2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019931953	1	38	0.0	-13.18	320.95	0.80	-12.38
CC(O)C1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019931954	1	36	0.0	-11.34	305.69	-0.70	-12.04
CCCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=N1	REAL300019931957	1	44	0.0	-9.10	344.18	5.02	-4.08
O=C(C1=CC=CC=C1NC1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019931958	1	51	0.0	-9.47	381.22	6.41	-3.06
O=C(C1=CC2=CC=CC(Br)=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931959	1	39	0.0	-10.68	331.66	6.77	-3.91
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300019931960	1	42	0.0	-11.89	345.81	6.41	-5.48
CC1=CC=C2OC(C(=O)N3CCN(C4=NNN=N4)CC3)CCC2=C1	REAL300019931961	1	44	0.0	-15.79	341.42	6.49	-9.30
O=C(C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1)N1CCN(C2=NNN=N2)CC1	REAL300019931962	1	41	0.0	-12.69	369.33	6.60	-6.09
CCN1N=CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C(C)N=C21	REAL300019931963	1	44	0.0	-13.69	352.89	4.72	-8.97
CC(O)(CCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931964	1	46	0.0	-10.59	355.74	4.02	-6.57
COC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC=C1[N+](=O)[O-]	REAL300019931965	1	39	0.0	-18.32	321.89	5.04	-13.28
COCC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C2=CC=CC=C2)S1	REAL300019931966	1	46	0.0	-13.30	390.82	4.68	-8.62
CCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C2C(=N1)ON=C2C(C)C	REAL300019931967	1	49	0.0	-15.14	386.85	3.79	-11.35
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931968	1	46	0.0	-10.88	357.13	7.60	-3.28
O=C(C1=CC2=C(N=C(N3CCCC3)S2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019931969	1	44	0.0	-10.67	368.82	4.33	-6.34
O=C(C1=CC=C(Cl)C2=NC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019931970	1	38	0.0	-13.25	324.20	5.03	-8.22
COCCOC1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931971	1	43	0.0	-12.73	347.78	1.74	-10.99
O=C(C1=C2NC=CC(=O)N2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931973	1	36	0.0	-22.39	300.32	1.82	-20.57
CCOC(=O)OC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931974	1	43	0.0	-13.93	354.19	5.91	-8.02
COC1=CC=C(C(=O)N2CCCC2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931975	1	51	0.0	-21.52	391.45	4.50	-17.02
O=C(C1=CC=C(OC2=CC=CC=C2)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931976	1	43	0.0	-9.44	352.45	6.01	-3.43
CC1=CC=CC(OC2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931977	1	47	0.0	-15.24	377.91	7.92	-7.32
CN1N=NC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CN=C21	REAL300019931978	1	37	0.0	-22.62	306.43	1.84	-20.78
O=C(C1=CC=CC=C1OC1=CC=NC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931979	1	43	0.0	-16.57	353.92	5.47	-11.10
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CSC(C2=CC=CS2)=N1	REAL300019931980	1	45	0.0	-16.89	372.57	5.99	-10.90
O=C(C1CCN(CC(F)F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019931981	1	44	0.0	-11.55	330.08	2.50	-9.05
O=C(C1C2C3CC4C5CC(C2C35)C41)N1CCN(C2=NNN=N2)CC1	REAL300019931982	1	46	0.0	-10.21	326.88	6.59	-3.62
O=C(C1=CC=NC=C1OC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931983	1	43	0.0	-15.46	351.57	5.74	-9.72
O=C(C1=NC=CC=C1OC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931984	1	43	0.0	-14.77	346.45	6.93	-7.84
CC1=NN(C)C(Br)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931985	1	36	0.0	-11.13	316.80	3.05	-8.08
CC(SC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1)C(N)=O	REAL300019931986	1	44	0.0	-21.55	363.35	2.43	-19.12
O=C(CC1=C(F)C=CC(Br)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019931987	1	36	0.0	-12.19	323.45	5.73	-6.46
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931988	1	44	0.0	-22.29	354.71	5.36	-16.93
CC1=C(F)C=CC(Cl)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931989	1	36	0.0	-9.85	312.39	5.21	-4.64
CC(C)N1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N	REAL300019931990	1	41	0.0	-11.61	324.50	2.30	-9.31
CCOC(CN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N)OCC	REAL300019931991	1	52	0.0	-11.42	405.84	2.34	-9.08
COC1=CC=C2OC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019931992	1	40	0.0	-17.74	325.57	3.82	-13.92
CCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C2C(CC(C)(C)C)=NOC2=N1	REAL300019931993	1	55	0.0	-14.81	408.14	5.11	-9.70
CCCC1=NOC2=NC(CC)=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C12	REAL300019931994	1	49	0.0	-15.10	387.27	4.01	-11.09
CC(C)C(NC(=O)C(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931995	1	51	0.0	-9.75	379.29	3.89	-5.86
CC(C)(COCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931996	1	49	0.0	-10.08	375.57	5.93	-4.15
O=C([C@@H](O)CC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931997	1	40	0.0	-12.09	319.36	3.54	-8.55
CNC1=NC(C)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019931998	1	39	0.0	-9.89	315.57	4.01	-5.88
O=C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019931999	1	43	0.0	-23.88	363.78	2.21	-21.67
O=C(C1=C(C2(O)CCOCC2)OC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932000	1	45	0.0	-11.14	346.04	1.30	-9.84
O=C(N1CCN(C2=NNN=N2)CC1)C1(C(F)F)CCCCC1	REAL300019932001	1	42	0.0	-11.29	307.86	4.61	-6.68
CC(C)C(CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019932003	1	55	0.0	-17.37	408.49	4.16	-13.21
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)CN2N=NN=C2N1C	REAL300019932004	1	41	0.0	-14.44	326.55	4.54	-9.90
O=C(C1=CN=CC(N2C=CN=N2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932005	1	38	0.0	-14.91	314.56	2.14	-12.77
O=C(C1=CN2C=C(Cl)C=C(Cl)C2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932006	1	36	0.0	-10.03	328.62	6.38	-3.65
CC(C)[C@@H](NC(=O)C1=CC=C(Cl)S1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932007	1	46	0.0	-9.82	380.15	4.26	-5.56
CN1C=C(OC2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019932008	1	44	0.0	-17.22	361.63	5.00	-12.22
COC1=CC=CC=C1N1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019932009	1	47	0.0	-15.20	376.18	5.18	-10.02
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932010	1	49	0.0	-11.77	389.55	5.93	-5.84
NC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1Cl	REAL300019932011	1	36	0.0	-14.36	309.61	0.28	-14.08
O=C(CC1=CC=C(Cl)S1)N1CCN(C2=NNN=N2)CC1	REAL300019932012	1	33	0.0	-12.52	299.51	4.79	-7.73
CCC(C)CCC(O)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932013	1	48	0.0	-13.47	363.20	3.93	-9.54
NC1=C(F)C=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932014	1	35	0.0	-8.52	302.37	2.72	-5.80
CCC(O)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(Cl)=C1	REAL300019932015	1	43	0.0	-10.92	334.79	3.87	-7.05
O=C(C1CCCC(F)(F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019932016	1	39	0.0	-10.72	304.61	4.62	-6.10
CCC1=NC2=CC=CC=C2C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019932017	1	47	0.0	-11.69	368.85	6.22	-5.47
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019932018	1	44	0.0	-13.39	362.70	1.92	-11.47
O=C(C1=NN2C=CC(Cl)=CC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932019	1	36	0.0	-11.18	312.42	4.79	-6.39
O=C(C1=CC=C2NC(=O)NC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932021	1	36	0.0	-13.06	297.93	0.94	-12.12
CC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2CC2)=N1	REAL300019932022	1	41	0.0	-10.56	329.68	4.31	-6.25
CC1=CC=C2C(C(=O)N3CCN(C4=NNN=N4)CC3)=CSC2=C1	REAL300019932023	1	39	0.0	-11.63	326.49	6.13	-5.50
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300019932024	1	42	0.0	-11.47	364.72	6.53	-4.94
O=C(CN1CCC2=CC=CC=C2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019932025	1	44	0.0	-19.56	351.41	5.47	-14.09
CC1=C(Cl)C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932026	1	36	0.0	-10.92	300.24	5.07	-5.85
CC1=CC(=O)N(CC(C)(O)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932027	1	46	0.0	-14.90	356.18	2.74	-12.16
CN(C)C1=CC(F)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019932028	1	43	0.0	-12.42	355.43	5.41	-7.01
NC1=NC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019932029	1	36	0.0	-18.72	306.47	2.01	-16.71
O=C(C1=CC=CN1C1=C(Cl)C=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019932030	1	41	0.0	-12.75	362.66	8.21	-4.54
O=C(C1CC[NH+](C2CC2)CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019932031	0	45	0.0	-63.14	337.17	5.79	-57.35
CC(C)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019932032	1	43	0.0	-10.46	337.93	3.31	-7.15
O=C(C1=CC=C(OC(F)(F)Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932033	1	37	0.0	-9.57	323.41	4.34	-5.23
CN1CC(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2C1=O	REAL300019932034	1	44	0.0	-22.95	347.70	4.69	-18.26
O=C(C1=CC2=CC=CC=C2N1CC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019932035	1	43	0.0	-12.39	352.19	6.78	-5.61
O=C(C1=CNC=C1C1=CC=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019932036	1	41	0.0	-18.21	341.79	5.72	-12.49
CCCCCCCCCC(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932037	1	59	0.0	-10.08	439.22	9.56	-0.52
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CNC2=CC=CC=C12	REAL300019932038	1	46	0.0	-14.31	361.66	6.44	-7.87
N#CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019932039	1	34	0.0	-15.38	293.86	4.45	-10.93
O=C(C1=NC2=CC=CN=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019932042	1	34	0.0	-14.63	295.22	1.60	-13.03
NC1=C(Cl)C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019932043	1	35	0.0	-11.22	309.68	3.05	-8.17
O=C(C1=CC=C(NCC2CC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932044	1	44	0.0	-12.18	350.52	4.30	-7.88
CN1C=C2C(=N1)CCCC2C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932045	1	43	0.0	-15.56	333.76	4.23	-11.33
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2CC2)=N1	REAL300019932046	1	39	0.0	-10.71	323.48	4.20	-6.51
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CN=CC(Br)=C2)CC1	REAL300019932047	1	39	0.0	-11.04	332.99	4.68	-6.36
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019932048	1	49	0.0	-9.90	382.11	4.06	-5.84
O=C(CC1CCC(F)(F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019932049	1	39	0.0	-12.57	308.63	4.92	-7.65
O=C(CC1=C(Br)C(=O)NC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932050	1	36	0.0	-22.32	314.18	2.50	-19.82
COC1=CC=CC(C(C)CCCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932051	1	52	0.0	-13.54	400.46	7.08	-6.46
CC1=CC(F)=CC(N2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=N2)=C1	REAL300019932052	1	42	0.0	-9.89	349.51	5.05	-4.84
CC1=NC2=C(CCCC2C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019932053	1	42	0.0	-9.82	330.57	5.31	-4.51
O=C(C1=CC(C2=CC=C(Cl)C=C2)=CN1)N1CCN(C2=NNN=N2)CC1	REAL300019932054	1	41	0.0	-15.01	345.89	6.45	-8.56
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC2=CC(C)=C(C)C=C21	REAL300019932055	1	45	0.0	-9.98	361.40	7.23	-2.75
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=C(Cl)C=CC=C2Cl)CCC1	REAL300019932056	1	43	0.0	-9.98	336.75	7.37	-2.61
CCCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC(C)=C1	REAL300019932057	1	52	0.0	-12.37	409.64	7.75	-4.62
O=C(CC1CC(C2=CC=CC=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019932058	1	46	0.0	-12.24	356.07	7.59	-4.65
O=C(CCCC1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019932059	1	46	0.0	-11.98	347.10	4.44	-7.54
O=C(C1=CC=CC(C2CCC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932060	1	43	0.0	-10.53	333.63	6.63	-3.90
CSC1=C(F)C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932061	1	37	0.0	-15.16	312.68	5.09	-10.07
COC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019932062	1	39	0.0	-16.65	315.31	2.73	-13.92
CN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1CC1=CC=CC=C1	REAL300019932063	1	46	0.0	-12.09	368.07	5.95	-6.14
C[C@H](OC1=CC=C(Br)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932064	1	40	0.0	-14.07	336.09	5.94	-8.13
COC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CN(C)N=C1	REAL300019932065	1	40	0.0	-18.49	322.14	2.56	-15.93
CC1=NOC(C)=C1C(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932066	1	44	0.0	-10.05	327.26	4.09	-5.96
O=C(C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932067	1	40	0.0	-13.52	356.07	8.15	-5.37
CC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C	REAL300019932068	1	41	0.0	-12.92	322.38	5.07	-7.85
COC1=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=CC(OC)=C1O	REAL300019932069	1	45	0.0	-19.24	361.73	2.07	-17.17
O=C(C1=CC=NN1CC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019932070	1	36	0.0	-13.06	298.85	2.93	-10.13
O=C(C1CCC(C(F)(F)F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019932071	1	42	0.0	-11.16	330.38	5.40	-5.76
CC(=O)NC1=CC=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932072	1	43	0.0	-18.21	345.44	4.16	-14.05
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C1CC1	REAL300019932073	1	44	0.0	-11.96	345.42	5.50	-6.46
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OCCO	REAL300019932074	1	45	0.0	-16.51	359.01	1.07	-15.44
O=C(C1=CC=C(F)C2=CC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019932075	1	39	0.0	-11.41	318.63	6.35	-5.06
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=COC=C2)=N1	REAL300019932076	1	40	0.0	-16.90	335.14	3.52	-13.38
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CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932151	1	46	0.0	-16.60	359.23	7.58	-9.02
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CC(C)(C)OC(=O)CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019933965	1	47	0.0	-16.33	375.20	3.96	-12.37
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933966	1	51	0.0	-13.35	394.63	7.48	-5.87
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CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC(F)(F)CC1	REAL300019933970	1	42	0.0	-10.97	307.14	4.51	-6.46
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CC(C)(C)OC(=O)N1CCCC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933980	1	57	0.0	-14.16	431.03	6.61	-7.55
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CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933986	1	50	0.0	-12.24	394.73	4.14	-8.10
CC1(C)[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)[C@H]1C1=CC=CC=C1	REAL300019933987	1	46	0.0	-11.30	356.21	7.30	-4.00
COC1=CC(C)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019933988	1	43	0.0	-11.91	335.74	4.68	-7.23
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC(CNC(=O)OC(C)(C)C)=C1	REAL300019933990	1	53	0.0	-11.20	414.86	3.60	-7.60
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019933991	1	51	0.0	-13.20	404.99	1.56	-11.64
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CCOC(=O)C1(CC(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019933998	1	49	0.0	-18.10	369.09	4.58	-13.52
CCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Br)C=C1	REAL300019934000	1	42	0.0	-11.06	349.75	6.81	-4.25
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CC1=CC(Br)=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934007	1	36	0.0	-14.23	317.31	5.41	-8.82
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CN(C1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1)C1=CC=CC=C1	REAL300019934009	1	44	0.0	-9.71	368.60	7.16	-2.55
COC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1O	REAL300019934010	1	42	0.0	-15.08	341.24	2.70	-12.38
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2CCOC2)=N1	REAL300019934015	1	43	0.0	-11.47	349.12	2.57	-8.90
CN1C=C(CNC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)C=N1	REAL300019934016	1	48	0.0	-15.73	386.08	4.43	-11.30
CN1C=CN=C1CNC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019934017	1	48	0.0	-16.00	383.78	4.99	-11.01
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(C#N)C=C1	REAL300019934023	1	40	0.0	-13.82	325.82	5.77	-8.05
CCOC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCOC1	REAL300019934024	1	44	0.0	-16.30	331.59	2.81	-13.49
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CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC(F)=CC=C2F)=N1	REAL300019934026	1	43	0.0	-18.37	363.07	5.47	-12.90
COC1=CC=CC(C(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934027	1	46	0.0	-9.95	340.69	4.92	-5.03
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934028	1	44	0.0	-11.67	366.63	6.22	-5.45
CC(C)(C)CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019934029	1	48	0.0	-10.59	363.60	7.04	-3.55
CCOC1COCCC1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934030	1	47	0.0	-11.26	355.60	3.35	-7.91
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1(F)F	REAL300019934031	1	47	0.0	-20.99	378.76	3.00	-17.99
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COC(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019934035	1	40	0.0	-12.77	341.99	4.59	-8.18
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CN1C(=O)C[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)[C@H]1C1=CC=CC(F)=C1	REAL300019934037	1	47	0.0	-16.29	372.75	5.66	-10.63
CN1C=C(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)C=N1	REAL300019934038	1	43	0.0	-16.73	345.77	5.27	-11.46
CC1=NN(CC(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)F)=C1	REAL300019934039	1	39	0.0	-16.72	328.27	3.71	-13.01
CC(C)C1=CC=C(OC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=N2)C=C1	REAL300019934040	1	52	0.0	-14.63	412.46	6.22	-8.41
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CCOC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019934043	1	45	0.0	-17.09	348.13	5.32	-11.77
COC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C	REAL300019934044	1	42	0.0	-14.51	337.12	5.19	-9.32
COC1=CN=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019934045	1	36	0.0	-12.60	295.92	2.48	-10.12
CC(C)(C)N1C=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019934046	1	45	0.0	-15.78	340.04	4.70	-11.08
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934047	1	41	0.0	-10.61	341.58	5.49	-5.12
CC1=CSC2=NC(CC(=O)N3CCN(C4=NNN=N4)CC3)=CN12	REAL300019934048	1	39	0.0	-21.29	330.18	5.44	-15.85
O=C(CN1C=NC=C1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934049	1	43	0.0	-18.02	343.93	7.08	-10.94
O=C(C1=CC(Br)=CN2C=CN=C12)N1CCN(C2=NNN=N2)CC1	REAL300019934050	1	36	0.0	-16.34	320.50	5.45	-10.89
CC1=NN(CC(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019934051	1	42	0.0	-11.04	334.31	4.27	-6.77
O=C(C1=CC=CN(C2CC2)C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019934052	1	40	0.0	-24.59	324.46	4.40	-20.19
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CC(C)(C)OC(=O)NC(CO)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934055	1	47	0.0	-13.47	365.62	-1.45	-14.92
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CCOC1CC2(CC2C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019934059	1	44	0.0	-12.33	344.60	4.69	-7.64
NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019934060	1	44	0.0	-20.43	348.31	1.04	-19.39
CCC1=CC2=C(SC=C2CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934061	1	42	0.0	-13.94	363.27	7.10	-6.84
O=C(C1=CC(C(F)(F)F)=NC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934062	1	34	0.0	-9.39	296.74	3.96	-5.43
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CCCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934065	1	39	0.0	-9.60	322.39	5.38	-4.22
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CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934067	1	47	0.0	-22.08	366.72	2.49	-19.59
O=C(C1=NC=C2CCCCN21)N1CCN(C2=NNN=N2)CC1	REAL300019934068	1	40	0.0	-9.99	308.46	4.95	-5.04
CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934069	1	51	0.0	-16.39	407.01	3.57	-12.82
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019934070	1	56	0.0	-12.94	413.54	4.77	-8.17
CCN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2CC2)=N1	REAL300019934071	1	43	0.0	-15.19	343.41	4.83	-10.36
CC1=CC2=C(SC=C2CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934072	1	39	0.0	-14.27	341.74	6.31	-7.96
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019934073	1	50	0.0	-13.00	383.92	3.06	-9.94
C[C@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019934074	1	49	0.0	-18.06	378.14	3.12	-14.94
CC(C)(C)OC(=O)N(CCC(=O)N1CCN(C2=NNN=N2)CC1)CC1CC1	REAL300019934075	1	56	0.0	-12.62	430.61	6.96	-5.66
CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019934076	1	57	0.0	-22.69	425.61	6.17	-16.52
CC(C)(C)OC(=O)NC1=CC(F)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934077	1	50	0.0	-12.89	391.84	4.63	-8.26
O=C([C@@H]1CCCC[C@H]1C1=CC=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934078	1	49	0.0	-11.74	384.50	8.28	-3.46
COC(C(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934081	1	45	0.0	-15.01	349.42	4.50	-10.51
O=C(CCC1=CC=CC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019934082	1	45	0.0	-11.49	356.15	7.99	-3.50
CC(CCC1=CC=C(F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934083	1	45	0.0	-13.79	356.95	7.06	-6.73
CC(C)(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C=C1	REAL300019934084	1	45	0.0	-10.88	344.04	6.69	-4.19
O=C(C1=CC2=C(Cl)N=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019934085	1	35	0.0	-12.41	314.73	4.01	-8.40
COCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019934086	1	40	0.0	-10.90	325.85	3.97	-6.93
CCN1N=CN=C1C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019934087	1	45	0.0	-14.70	355.03	6.48	-8.22
O=C(CN1C=CC(Br)=CC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019934088	1	36	0.0	-21.28	317.79	4.26	-17.02
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O=C(C1=CC2=CC=NC(Cl)=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019934090	1	35	0.0	-10.96	316.13	4.06	-6.90
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934091	1	46	0.0	-21.30	378.91	2.11	-19.19
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O=C(C1=CC=CC2=C(Br)C=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019934093	1	39	0.0	-11.20	331.54	6.82	-4.38
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CCOC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCOCC1	REAL300019934096	1	47	0.0	-14.01	353.96	3.75	-10.26
CCOC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCC1	REAL300019934097	1	46	0.0	-12.19	336.67	5.08	-7.11
CC1(C)CC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2O1	REAL300019934098	1	44	0.0	-14.04	345.28	5.28	-8.76
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COC(=O)C1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019934100	1	41	0.0	-19.09	342.89	3.90	-15.19
CC(=O)NC1=CC=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934101	1	39	0.0	-13.75	320.27	1.37	-12.38
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O=C(C1=CON=C1C1CCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019934103	1	42	0.0	-12.99	330.40	4.85	-8.14
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019934104	1	52	0.0	-61.32	400.43	4.64	-56.68
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019934104	1	52	0.0	-67.59	409.06	4.20	-63.39
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL300019934105	1	49	0.0	-66.29	387.70	1.87	-64.42
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL300019934105	1	49	0.0	-62.77	379.37	2.34	-60.43
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL300019934106	0	56	0.0	-68.02	422.71	4.29	-63.73
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=N1	REAL300019934106	1	56	0.0	-67.97	422.88	4.28	-63.69
CC(C)N1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019934108	1	39	0.0	-11.16	331.90	3.78	-7.38
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934109	1	44	0.0	-10.56	352.81	6.10	-4.46
CC1NC2=CC=NN2C(C)C1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934110	1	51	0.0	-20.69	379.37	4.37	-16.32
CC1(C)[C@@H]2CC[C@@]1(C(=O)N1CCN(C3=NNN=N3)CC1)C(=O)C2	REAL300019934111	1	45	0.0	-11.88	319.78	4.44	-7.44
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(O)=C1	REAL300019934113	1	43	0.0	-11.15	322.22	2.77	-8.38
O=C(N1CCN(C2=NNN=N2)CC1)C1(Cl)CC2CCC1O2	REAL300019934114	1	38	0.0	-10.38	296.49	2.54	-7.84
N#CC1=C2C(C(=O)N3CCN(C4=NNN=N4)CC3)=CNC2=CC=C1	REAL300019934115	1	38	0.0	-23.14	317.51	4.33	-18.81
CC(C)(CC1=CC=C(O)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934117	1	46	0.0	-10.96	345.86	3.27	-7.69
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=C(O)C=C2)CC1	REAL300019934118	1	44	0.0	-15.03	353.92	4.00	-11.03
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2)CC1Br	REAL300019934119	1	40	0.0	-10.42	329.86	6.31	-4.11
CN1C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2N=C1CO	REAL300019934120	1	43	0.0	-21.01	347.93	1.77	-19.24
COC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1O	REAL300019934121	1	41	0.0	-16.96	332.55	2.21	-14.75
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934122	1	48	0.0	-11.29	376.03	4.39	-6.90
CC(C1=CC=CC=C1F)C(O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934123	1	43	0.0	-9.52	334.64	4.33	-5.19
O=C(C1=C(C(F)F)N=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019934124	1	32	0.0	-14.79	283.13	2.05	-12.74
CS(C)(=O)=NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019934125	1	43	0.0	-24.19	348.28	2.40	-21.79
O=C(CC1=CC=C(Br)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019934126	1	36	0.0	-12.17	327.46	6.11	-6.06
O=C(C1=CC2=C(C3CC3)C=CC=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019934127	1	44	0.0	-11.75	347.07	6.55	-5.20
O=C(C1=CN(CC2CC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934128	1	40	0.0	-11.92	322.31	4.18	-7.74
O=C(CC1C(=O)NC2=CC=C(F)C=C21)N1CCN(C2=NNN=N2)CC1	REAL300019934129	1	41	0.0	-17.16	335.34	4.89	-12.27
CCC(O)CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019934131	1	42	0.0	-14.06	340.09	0.04	-14.02
O=C(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CNC2=CC(F)=CC=C12	REAL300019934132	1	39	0.0	-9.73	324.31	4.12	-5.61
N#CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934133	1	40	0.0	-28.73	355.46	2.26	-26.47
O=C(CC1=NC(C2CC2)=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019934134	1	39	0.0	-14.45	327.88	4.25	-10.20
O=C(C1CCCN2N=CN=C12)N1CCN(C2=NNN=N2)CC1	REAL300019934135	1	39	0.0	-12.15	300.24	4.69	-7.46
CCCCCCC(O)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934136	1	51	0.0	-10.38	392.34	4.30	-6.08
O=C(CS(=O)C1=CC=C(Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934137	1	38	0.0	-21.60	339.55	3.71	-17.89
O=C(C1=CC(Br)=CC=C1C1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019934138	1	40	0.0	-9.31	334.87	6.69	-2.62
O=C(C1=CN=C(CC2CC2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019934140	1	39	0.0	-11.09	326.55	4.15	-6.94
O=C(C1=C(Cl)C2=C(F)C=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019934141	1	36	0.0	-14.22	323.85	5.94	-8.28
CSC1=NC=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934142	1	35	0.0	-12.86	297.98	2.33	-10.53
CC1=CC2=C(S1)C(CC(=O)N1CCN(C3=NNN=N3)CC1)=CS2	REAL300019934143	1	39	0.0	-13.61	341.06	6.31	-7.30
CN1N=C2CCSCC2=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934144	1	41	0.0	-11.23	337.41	3.99	-7.24
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCCCO2)N1CCN(C2=NNN=N2)CC1	REAL300019934145	1	44	0.0	-16.04	355.31	5.52	-10.52
CC1=CC=C(NC2CC2)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934146	1	45	0.0	-9.85	353.60	5.41	-4.44
CCCCNC1=NC(CC(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019934147	1	46	0.0	-15.16	377.13	4.50	-10.66
CC1(NC2=NC(CC(=O)N3CCN(C4=NNN=N4)CC3)=CS2)CCCC1	REAL300019934148	1	50	0.0	-15.59	389.32	4.95	-10.64
O=C(CCCC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019934149	1	44	0.0	-21.39	355.42	6.49	-14.90
O=C(C1=CC2=CC(F)=CC=C2NC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019934150	1	39	0.0	-19.39	329.90	3.34	-16.05
O=C(C1=CC=C(CN2CCOCC2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019934151	1	46	0.0	-10.64	358.92	1.73	-8.91
O=C(C1=CN(CC2CNC(=O)O2)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934152	1	41	0.0	-23.04	340.32	-1.10	-24.14
O=C(N1CCN(C2=NNN=N2)CC1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL300019934153	1	43	0.0	-10.67	333.61	6.29	-4.38
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL300019934154	1	49	0.0	-10.03	370.40	6.20	-3.83
CC1=CC=NC(OC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)=C1	REAL300019934155	1	46	0.0	-13.77	373.68	5.02	-8.75
O=C(C1=CSC(C2=NC=CN2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934156	1	36	0.0	-14.68	313.42	2.41	-12.27
CC(SC1=NC(CC(=O)N2CCN(C3=NNN=N3)CC2)=CS1)C(N)=O	REAL300019934157	1	43	0.0	-24.36	370.17	0.45	-23.91
O=C(C1=C(C2CC2)SC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934158	1	36	0.0	-10.51	298.90	4.16	-6.35
CC1=CC(C)=C(CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934159	1	39	0.0	-12.34	322.78	5.55	-6.79
CC(C)(C)OC(=O)CCC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CO1	REAL300019934160	1	55	0.0	-13.22	414.63	5.62	-7.60
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CC(C)(C)OC(=O)N1CCCCC1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936606	1	56	0.0	-11.40	407.32	6.25	-5.15
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O=C(C1=CC=C(CC2=CC=CC=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936619	1	46	0.0	-12.58	369.93	8.48	-4.10
O=C(CC12CC(C1)C(=O)NC2)N1CCN(C2=NNN=N2)CC1	REAL300019936620	1	41	0.0	-18.35	315.32	1.57	-16.78
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936621	1	57	0.0	-12.10	417.58	5.57	-6.53
CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCN(C(=O)OC(C)(C)C)C1	REAL300019936622	1	59	0.0	-19.01	417.17	6.03	-12.98
CC(C)(C)OC(=O)N1CCCC1C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936623	1	57	0.0	-12.51	412.23	6.49	-6.02
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936624	1	54	0.0	-14.53	405.51	2.28	-12.25
O=C(C1=CN=CC(N2C=CN=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019936625	1	38	0.0	-12.14	314.77	4.77	-7.37
CC1(C)CC2=CC=CC(CC(=O)N3CCN(C4=NNN=N4)CC3)=C2O1	REAL300019936626	1	47	0.0	-13.73	369.58	6.29	-7.44
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936627	1	45	0.0	-21.71	371.86	6.14	-15.57
CN1C=NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C1=O	REAL300019936628	1	41	0.0	-16.24	334.51	4.71	-11.53
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936629	1	53	0.0	-16.91	400.08	3.80	-13.11
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936630	1	59	0.0	-18.85	420.56	5.41	-13.44
CC(C)(C)OC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CC=CCC1	REAL300019936631	1	57	0.0	-9.87	419.92	5.26	-4.61
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCSCC1	REAL300019936632	1	54	0.0	-14.29	400.36	5.39	-8.90
CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936633	1	54	0.0	-10.31	409.22	5.75	-4.56
CC(C)(C)OC(=O)NC12CC(C(=O)N3CCN(C4=NNN=N4)CC3)(C1)OC2	REAL300019936634	1	52	0.0	-9.95	398.26	1.63	-8.32
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019936636	1	50	0.0	-14.02	394.62	4.40	-9.62
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936637	1	52	0.0	-15.80	400.11	3.15	-12.65
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCN(C4=NNN=N4)CC3)C2)C1	REAL300019936638	1	57	0.0	-14.50	429.37	6.14	-8.36
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936639	1	46	0.0	-11.92	358.32	1.85	-10.07
O=C(C1=CC(Cl)=C(F)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936640	1	33	0.0	-9.47	304.63	5.03	-4.44
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936641	1	47	0.0	-21.49	375.22	5.18	-16.31
O=C(C1=CN([C@@H]2COC[C@@H]2F)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019936642	1	40	0.0	-12.17	324.61	1.28	-10.89
CC1CCC(OCCCC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936643	1	52	0.0	-13.09	389.96	6.31	-6.78
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019936644	1	47	0.0	-18.47	373.90	5.14	-13.33
O=C(CC1CC2=CC=CC=C2NC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019936645	1	44	0.0	-19.32	345.70	5.36	-13.96
CC1(C)C(=O)NC2CCC(C(=O)N3CCN(C4=NNN=N4)CC3)CC21	REAL300019936646	1	50	0.0	-16.14	369.52	2.68	-13.46
COC1(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=N2)CCOCC1	REAL300019936647	1	50	0.0	-12.92	379.60	2.65	-10.27
CC(C)(C)OC(=O)NCCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019936648	1	52	0.0	-14.72	413.12	3.28	-11.44
O=C(C1=CC=C2SN=CC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936649	1	35	0.0	-12.85	299.66	4.23	-8.62
CN(CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1)C1=CC=CC=C1	REAL300019936650	1	51	0.0	-11.52	395.74	8.23	-3.29
CN1C=NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2C1=O	REAL300019936651	1	41	0.0	-17.15	333.43	4.70	-12.45
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936652	1	41	0.0	-18.17	357.19	4.53	-13.64
COC1=CC([C@@H]2C[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)=C(OC)C=C1C	REAL300019936653	1	51	0.0	-14.85	397.59	5.77	-9.08
O=C(CC1CCCCC1(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936654	1	42	0.0	-8.78	321.96	5.39	-3.39
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019936655	1	53	0.0	-10.60	398.80	4.29	-6.31
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCN(C4=NNN=N4)CC3)[C@@H]2C1	REAL300019936656	1	55	0.0	-18.92	407.34	3.52	-15.40
CN1N=CC=C1C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019936657	1	43	0.0	-14.93	340.87	4.94	-9.99
O=C(N1CCN(C2=NNN=N2)CC1)C12CCC(C1)S(=O)(=O)CC2	REAL300019936658	1	43	0.0	-20.11	319.40	0.97	-19.14
O=C(C1CCCC2=NC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019936659	1	42	0.0	-13.70	323.77	4.68	-9.02
CN1C=C(SCC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019936660	1	37	0.0	-15.48	315.96	3.39	-12.09
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936661	1	53	0.0	-10.84	412.11	3.64	-7.20
O=C(CCC1=C(F)C=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936662	1	39	0.0	-11.59	333.00	6.32	-5.27
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC(Cl)=CC=C21	REAL300019936663	1	40	0.0	-16.95	339.61	6.29	-10.66
O=C(CC1CC2(CCC2)CO1)N1CCN(C2=NNN=N2)CC1	REAL300019936664	1	44	0.0	-13.67	335.77	4.86	-8.81
O=C(C1=CC=C(CCF)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936665	1	39	0.0	-11.88	316.46	5.60	-6.28
O=C(C1CC2=CSC=C2C1)N1CCN(C2=NNN=N2)CC1	REAL300019936666	1	37	0.0	-10.97	303.89	5.00	-5.97
CC1=CN2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC2=N1	REAL300019936667	1	39	0.0	-13.79	320.35	5.34	-8.45
[N-]=[N+]=NC1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936668	1	34	0.0	-9.72	290.49	0.00	-9.72
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936670	1	41	0.0	-14.43	319.39	1.28	-13.15
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936671	1	41	0.0	-10.36	321.73	1.00	-9.36
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936672	1	39	0.0	-9.42	313.36	1.01	-8.41
O=C(C1=CC=C(N2CCNS2(=O)=O)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936673	1	44	0.0	-23.06	359.49	0.12	-22.94
[N-]=[N+]=NCC(F)(F)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936674	1	37	0.0	-11.68	316.31	0.42	-11.26
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936675	1	42	0.0	-15.57	350.64	0.03	-15.54
CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C2C=CNC2=N1	REAL300019936676	1	38	0.0	-13.29	311.27	3.80	-9.49
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936677	1	41	0.0	-11.20	340.09	3.67	-7.53
CC(C)(C)OC(=O)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)OC(C)(C)C1	REAL300019936678	1	57	0.0	-13.49	421.70	5.40	-8.09
CCC1=CC=CC(CC)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936679	1	48	0.0	-10.89	360.69	7.33	-3.56
CC1(C)CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936680	1	48	0.0	-9.53	340.88	5.81	-3.72
O=C(CC1=CC=CC(OCC2CC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936681	1	47	0.0	-13.87	375.32	6.88	-6.99
O=C(C1CC2(CC(OCC3=CC=CC=C3)C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019936682	1	54	0.0	-12.33	422.14	8.15	-4.18
CC(C)[C@H]1CC[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936683	1	48	0.0	-9.78	339.09	5.95	-3.83
CC(C)N1C=C(C2CC2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019936684	1	46	0.0	-15.22	356.42	5.38	-9.84
O=C(C1=CC=C(OCC(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936685	1	40	0.0	-16.85	331.31	4.59	-12.26
CCN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1Br	REAL300019936686	1	36	0.0	-10.32	327.43	4.24	-6.08
NC(=O)C1=CC(F)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936687	1	37	0.0	-16.23	308.83	0.90	-15.33
CN1N=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019936688	1	32	0.0	-10.94	284.37	1.25	-9.69
O=C(C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936689	1	43	0.0	-17.96	372.91	6.82	-11.14
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)N1CCN(C3=NNN=N3)CC1)=CO2	REAL300019936690	1	51	0.0	-17.71	401.17	4.62	-13.09
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)N3CCN(C4=NNN=N4)CC3)C21	REAL300019936691	1	57	0.0	-14.22	426.42	5.41	-8.81
O=C(C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936692	1	41	0.0	-18.49	338.92	6.85	-11.64
O=C(C1CCOC2(CCCCC2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019936693	1	50	0.0	-11.31	358.31	5.26	-6.05
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019936694	1	46	0.0	-11.74	371.51	7.90	-3.84
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC2=CC=CC=C21	REAL300019936695	1	45	0.0	-12.68	349.18	7.58	-5.10
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(F)=C1F	REAL300019936696	1	37	0.0	-11.12	309.14	3.46	-7.66
COC1=CC2=CC=CN=C2C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936697	1	42	0.0	-16.54	339.31	3.91	-12.63
O=C(C1=CC(C(F)(F)F)=NC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936698	1	35	0.0	-9.89	317.54	3.79	-6.10
O=C(CC1CCC(=O)NC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019936699	1	39	0.0	-21.98	308.98	2.01	-19.97
CCN1N=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019936700	1	35	0.0	-10.48	306.18	2.08	-8.40
CC(C)(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=N1	REAL300019936701	1	44	0.0	-14.41	356.88	5.28	-9.13
CN1C(=O)NC2(CCC(C(=O)N3CCN(C4=NNN=N4)CC3)CC2)C1=O	REAL300019936702	1	48	0.0	-16.44	369.13	2.24	-14.20
O=C(C1=CC=CC(C2=NNC=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936703	1	40	0.0	-13.78	326.72	4.08	-9.70
O=C(C1CCC2(CCOCC2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019936706	1	45	0.0	-14.76	336.67	3.39	-11.37
CC1=CC=CC=C1C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019936707	1	42	0.0	-9.00	343.27	6.26	-2.74
CC(F)(F)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019936708	1	38	0.0	-9.66	313.01	4.77	-4.89
O=C(C1=CC=CC2=C1COC2)N1CCN(C2=NNN=N2)CC1	REAL300019936709	1	38	0.0	-12.74	303.82	3.35	-9.39
CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2O)[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936710	1	55	0.0	-19.57	414.62	2.57	-17.00
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1Cl	REAL300019936711	1	39	0.0	-9.86	320.61	5.90	-3.96
O=C(C1=CC=CC(CC2=CC=CC=N2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936712	1	45	0.0	-12.78	364.25	6.68	-6.10
O=C(C1=COC2=C(F)C=C(Cl)C=C12)N1CCN(C2=NNN=N2)CC1	REAL300019936713	1	36	0.0	-13.31	319.23	5.11	-8.20
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCN(C2=NNN=N2)CC1	REAL300019936714	1	45	0.0	-15.77	348.57	-0.10	-15.87
O=C(C1=C(I)C=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019936715	1	30	0.0	-10.50	283.62	4.11	-6.39
CCCN1C=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019936716	1	39	0.0	-12.14	328.02	4.52	-7.62
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(Cl)N=C1C	REAL300019936717	1	38	0.0	-14.39	317.62	3.89	-10.50
COC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(F)(F)F	REAL300019936718	1	42	0.0	-16.69	352.79	5.50	-11.19
COC(=O)C1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936719	1	42	0.0	-14.61	324.76	4.35	-10.26
COC(=O)C1=NNC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019936720	1	42	0.0	-13.83	349.65	3.39	-10.44
CC(C)(C)C1CCNC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=NN21	REAL300019936721	1	51	0.0	-12.63	376.50	4.19	-8.44
CNC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC2=NC=CN=C21	REAL300019936722	1	39	0.0	-13.77	329.00	0.50	-13.27
CC1=NN=C2SC(C(=O)N3CCN(C4=NNN=N4)CC3)=C(N)C2=C1C	REAL300019936723	1	42	0.0	-13.82	339.50	1.87	-11.95
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=C(C)C=C2)=NO1	REAL300019936724	1	45	0.0	-11.92	369.54	6.69	-5.23
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=NC=CC=C2F)CC1	REAL300019936725	1	39	0.0	-12.91	318.22	4.39	-8.52
NC(=O)C1=CC=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936726	1	37	0.0	-17.45	308.46	0.90	-16.55
O=C(C(C1=CC=C(F)C=C1)C1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019936727	1	43	0.0	-11.94	347.10	7.05	-4.89
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936728	1	49	0.0	-11.86	383.79	0.18	-11.68
[N-]=[N+]=NC12CCC(C(=O)N3CCN(C4=NNN=N4)CC3)(CC1)C2	REAL300019936729	1	42	0.0	-11.94	321.91	1.16	-10.78
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936730	1	52	0.0	-13.56	397.43	0.96	-12.60
O=C(C1=NOC(C2=CC=C3OCOC3=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936731	1	42	0.0	-11.46	349.12	4.30	-7.16
O=C(C1=CC(C2CCC2)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019936732	1	39	0.0	-8.26	310.72	4.10	-4.16
CC1=CC(C(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019936733	1	36	0.0	-8.19	312.31	4.78	-3.41
CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936734	1	52	0.0	-18.06	409.07	1.19	-16.87
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936735	1	52	0.0	-17.75	408.66	1.21	-16.54
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019936736	1	35	0.0	-10.93	300.70	-0.25	-11.18
CC1=NN(CC(F)(F)F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936737	1	39	0.0	-12.81	324.46	3.68	-9.13
[N-]=[N+]=NCCCCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936738	1	43	0.0	-11.60	348.37	1.84	-9.76
[N-]=[N+]=NCC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936739	1	38	0.0	-11.57	319.41	1.33	-10.24
[N-]=[N+]=NCCCCCCCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936740	1	52	0.0	-11.99	412.86	4.19	-7.80
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(Cl)N=C1Cl	REAL300019936741	1	35	0.0	-9.38	312.37	3.69	-5.69
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(N=[N+]=[N-])=C1	REAL300019936742	1	38	0.0	-13.16	316.59	2.58	-10.58
CC1=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C(N2C=NN=N2)S1	REAL300019936743	1	41	0.0	-19.12	349.53	4.80	-14.32
CC12CC3(C)CC(F)(C1)CC(C(=O)N1CCN(C4=NNN=N4)CC1)(C2)C3	REAL300019936744	1	53	0.0	-9.56	369.79	6.70	-2.86
CN1C=C(C(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019936745	1	36	0.0	-12.30	303.97	2.82	-9.48
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCNC1=O	REAL300019936746	1	43	0.0	-16.87	310.16	0.95	-15.92
COC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)(F)F)=N1	REAL300019936747	1	38	0.0	-13.16	325.37	-0.26	-13.42
O=C(C1=C([N+](=O)[O-])C=NN1CC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936748	1	38	0.0	-16.81	337.08	3.67	-13.14
O=C(C1=CC=C(CN2CCOCC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936749	1	49	0.0	-11.98	375.98	3.11	-8.87
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019936750	0	54	0.0	-65.75	403.30	8.81	-56.94
CCNC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936752	1	48	0.0	-19.81	363.04	3.02	-16.79
COC1=CC([C@@H](C)CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C	REAL300019936753	1	49	0.0	-11.91	376.65	6.34	-5.57
C#CC1=CC=CC(OCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936754	1	39	0.0	-18.27	328.42	6.18	-12.09
O=C(C=CC1=CC=C2CCOCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936755	1	45	0.0	-13.15	354.77	5.63	-7.52
O=C(C1CCCC2(CCC2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019936756	1	46	0.0	-10.27	336.90	6.13	-4.14
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936757	1	49	0.0	-13.25	378.83	5.95	-7.30
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019936758	1	49	0.0	-12.08	382.48	6.64	-5.44
O=C([C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936759	1	47	0.0	-14.65	380.13	7.60	-7.05
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)N1C=CC(C2CC2)=N1	REAL300019936760	1	46	0.0	-12.65	348.50	5.80	-6.85
O=C(C1CC2CCCCCCC21)N1CCN(C2=NNN=N2)CC1	REAL300019936761	1	49	0.0	-10.07	344.32	6.59	-3.48
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019936762	1	56	0.0	-14.40	405.65	5.24	-9.16
O=C(C1=NN2CC3(CC3)CC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936763	1	41	0.0	-11.78	325.78	4.57	-7.21
COC12CCC(C(=O)N3CCN(C4=NNN=N4)CC3)(CC1)C2	REAL300019936764	1	44	0.0	-12.56	324.22	3.33	-9.23
CC(C)(C)OC(=O)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)OCC1(C)C	REAL300019936765	1	57	0.0	-12.95	417.69	4.97	-7.98
CC(C)(C)OC(=O)C1CC12CCC(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019936766	1	55	0.0	-16.29	412.57	7.81	-8.48
O=C(CCC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Br)S1	REAL300019936767	1	38	0.0	-10.21	346.38	5.52	-4.69
O=C(CC1=CC=C2OC=NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936768	1	38	0.0	-18.01	313.98	1.95	-16.06
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936769	1	39	0.0	-15.54	334.50	4.09	-11.45
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N2C=CC=CC2=N1	REAL300019936770	1	39	0.0	-14.43	320.22	5.11	-9.32
CC(C)CC1=NC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019936771	1	43	0.0	-8.94	339.35	4.85	-4.09
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O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CS2)CCOCC1	REAL300019936773	1	44	0.0	-8.86	336.76	4.04	-4.82
CC1=CC=C(C(C(=O)N2CCN(C3=NNN=N3)CC2)C2CC2)C=C1	REAL300019936774	1	46	0.0	-11.08	362.11	7.66	-3.42
CN1C=C(Br)C(OCC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019936775	1	37	0.0	-17.10	328.61	2.05	-15.05
CC(C)(C)OC(=O)NCCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019936776	1	56	0.0	-17.82	416.11	3.80	-14.02
CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC=CC1	REAL300019936777	1	54	0.0	-12.15	402.18	3.74	-8.41
O=C(C1=NN2C=CC=NC2=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936778	1	35	0.0	-17.83	305.18	3.91	-13.92
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N2C=CC=CC2=N1	REAL300019936779	1	42	0.0	-13.91	341.66	5.87	-8.04
CC1=CC(F)=CC=C1C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936780	1	43	0.0	-9.86	335.88	6.44	-3.42
CC1=CC=C(F)C=C1C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936781	1	43	0.0	-9.35	337.14	6.51	-2.84
CC(C)(C)OC(=O)N1CC2CC(C1)C(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019936782	1	57	0.0	-13.65	391.91	7.39	-6.26
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C12CC2	REAL300019936783	1	54	0.0	-17.82	401.06	5.26	-12.56
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936784	1	53	0.0	-17.39	408.67	3.76	-13.63
CC(C)(C)OC(=O)NC(CC1OCCO1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936785	1	55	0.0	-11.24	414.95	1.53	-9.71
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936786	1	59	0.0	-12.85	437.48	5.92	-6.93
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300019936787	1	42	0.0	-15.15	344.94	6.59	-8.56
COC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CN=C2C=C1	REAL300019936788	1	42	0.0	-14.12	341.28	3.82	-10.30
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936789	1	49	0.0	-14.19	394.64	7.15	-7.04
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936790	1	53	0.0	-13.89	410.88	3.82	-10.07
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCN(C4=NNN=N4)CC3)C[C@H]12	REAL300019936791	1	51	0.0	-14.02	393.56	3.70	-10.32
COC(=O)[C@@H]1C[C@@]1(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL300019936792	1	45	0.0	-14.99	344.65	5.09	-9.90
O=C(C1=C2C=CC=CN2C(Br)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019936793	1	36	0.0	-12.47	314.18	5.96	-6.51
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019936794	1	57	0.0	-18.02	411.96	4.65	-13.37
O=C(C1=NNC=C1C1CCC1)N1CCN(C2=NNN=N2)CC1	REAL300019936795	1	40	0.0	-12.00	311.72	3.74	-8.26
CC1CC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)CC(C)O1	REAL300019936796	1	46	0.0	-10.15	311.41	3.68	-6.47
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300019936797	1	43	0.0	-13.11	355.53	6.85	-6.26
COCCN1C=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019936798	1	43	0.0	-28.14	349.72	3.61	-24.53
O=C(C1=C2NC(=O)CCC2=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936799	1	41	0.0	-17.62	326.59	3.48	-14.14
O=C(C1=NN(CC(F)(F)F)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936800	1	36	0.0	-15.40	324.49	4.27	-11.13
O=C(N1CCN(C2=NNN=N2)CC1)[C@]12COC[C@H]1C2(F)F	REAL300019936802	1	35	0.0	-10.19	288.27	1.95	-8.24
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936803	1	39	0.0	-10.52	317.04	5.83	-4.69
O=C(C1=CC=CN(C2CCC2)C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019936804	1	43	0.0	-23.31	337.71	4.79	-18.52
O=C(C1=NN(CC(F)F)C=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019936805	1	38	0.0	-20.49	327.10	5.17	-15.32
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CC(F)=CC=C1F	REAL300019936806	1	36	0.0	-10.44	306.93	5.28	-5.16
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CC=CC(F)=C1F	REAL300019936807	1	36	0.0	-16.60	306.93	4.85	-11.75
CCC1=CC=CC=C1C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936808	1	42	0.0	-10.15	326.45	6.35	-3.80
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)N1CCN(C2=NNN=N2)CC1	REAL300019936809	1	44	0.0	-21.63	351.80	5.44	-16.19
CN1C2=C(CCCC1=O)OC=C2C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936810	1	44	0.0	-18.19	344.72	3.65	-14.54
CC(C1=CC=C(F)C=C1)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL300019936811	1	50	0.0	-16.16	390.49	6.69	-9.47
O=C(C1=CC2=CC=C(Cl)N=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019936812	1	35	0.0	-11.47	316.44	3.97	-7.50
O=C(CC1=C2NC=CC=C2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936813	1	39	0.0	-25.98	318.66	3.26	-22.72
COC1=C2NC=C(CC(=O)N3CCN(C4=NNN=N4)CC3)C2=CC=C1	REAL300019936814	1	44	0.0	-16.62	353.69	4.40	-12.22
O=C(C1=CC2=C(Cl)C=C(F)C=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019936815	1	37	0.0	-11.18	321.16	5.06	-6.12
COC(=O)C1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019936816	1	45	0.0	-16.93	363.81	6.20	-10.73
O=C(C1=CC2=C(COCC2)N=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936817	1	40	0.0	-14.26	331.31	2.72	-11.54
CC1=C(Br)C(=O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=CN1C	REAL300019936818	1	39	0.0	-29.10	333.21	4.39	-24.71
O=C(C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)N1CCN(C2=NNN=N2)CC1	REAL300019936819	1	43	0.0	-18.60	361.86	6.88	-11.72
CS(C)(=O)=NC1=CC=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936820	1	42	0.0	-24.60	342.74	1.44	-23.16
O=C(C1=CC2=C(Br)C=CC(F)=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019936821	1	37	0.0	-10.50	325.63	5.15	-5.35
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300019936822	1	50	0.0	-11.73	398.78	8.07	-3.66
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=C1CCCC2	REAL300019936823	1	44	0.0	-10.19	340.89	4.93	-5.26
O=C(C1=CC(CC2CCC2)=CN1)N1CCN(C2=NNN=N2)CC1	REAL300019936824	1	44	0.0	-12.73	343.03	5.90	-6.83
COC(=O)C1=CSC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936825	1	39	0.0	-16.37	338.68	4.85	-11.52
COC(=O)C1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019936826	1	42	0.0	-19.80	351.65	5.76	-14.04
CCCCN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019936827	1	41	0.0	-10.91	329.95	3.34	-7.57
C[C@H]1C(=O)N(CC(=O)N2CCN(C3=NNN=N3)CC2)C(=O)[C@H]1C	REAL300019936828	1	42	0.0	-16.80	333.52	3.09	-13.71
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL300019936829	1	50	0.0	-16.37	390.68	6.71	-9.66
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COC(=O)[C@@H]1[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019936831	1	42	0.0	-15.56	328.40	4.59	-10.97
COC(=O)C1=C2CCCCC2=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019936832	1	46	0.0	-10.42	369.90	6.18	-4.24
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CC(C)C[N@H+]1CCCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019936927	1	50	0.0	-61.09	361.26	6.28	-54.81
CCC(=CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936928	1	43	0.0	-11.53	324.26	6.20	-5.33
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CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+](CC)CC1	REAL300019937043	1	52	0.0	-68.31	361.26	4.13	-64.18
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CCN1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+](CC)CC1	REAL300019937044	1	55	0.0	-72.85	383.46	6.69	-66.16
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CCC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[N@@H+](C)C1	REAL300019943763	1	47	0.0	-86.61	347.55	7.57	-79.04
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CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019943770	1	55	0.0	-55.69	404.12	3.37	-52.32
O=C(CCCC1=N[N-]N=N1)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300019943818	0	44	0.0	-64.87	332.79	2.42	-62.45
O=C(CCCC1=N[N-]N=N1)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300019943818	1	44	0.0	-69.35	340.85	2.48	-66.87
O=C(CCCC1=NN=N[N-]1)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300019943818	1	44	0.0	-64.90	332.85	2.43	-62.47
O=C(CCCC1=NN=N[N-]1)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300019943818	1	44	0.0	-69.35	340.91	2.50	-66.85
O=C(NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019943819	0	47	0.0	-68.81	358.86	5.43	-63.38
O=C(NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019943819	1	47	0.0	-68.91	357.61	5.23	-63.68
O=C(NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019943820	0	44	0.0	-57.99	345.19	2.31	-55.68
O=C(NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019943820	1	44	0.0	-59.65	351.51	2.28	-57.37
CC[NH+](CC)CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019943829	0	53	0.0	-72.41	412.99	8.11	-64.30
CC[NH+](CC)CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019943829	1	53	0.0	-72.41	413.05	8.12	-64.29
CC[NH+](CC)CCC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300019943830	0	56	0.0	-77.00	432.75	10.78	-66.22
CC[NH+](CC)CCC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300019943830	1	56	0.0	-78.55	433.17	10.78	-67.77
CC[NH+](CC)CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300019943831	0	53	0.0	-58.32	418.95	7.67	-50.65
CC[NH+](CC)CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300019943831	1	53	0.0	-58.33	419.02	7.68	-50.65
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019943915	0	50	0.0	-67.81	372.91	7.82	-59.99
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019943915	1	50	0.0	-78.89	376.68	8.78	-70.11
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019943915	1	50	0.0	-67.58	372.97	7.84	-59.74
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019943915	1	50	0.0	-78.62	376.78	8.78	-69.84
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019943916	0	47	0.0	-54.61	358.72	4.74	-49.87
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019943916	1	47	0.0	-60.07	362.31	5.64	-54.43
CC(CC1CCCC[N@@H+]1C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019943916	1	47	0.0	-54.63	358.79	4.75	-49.88
CC(CC1CCCC[N@H+]1C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019943916	1	47	0.0	-60.01	362.38	5.64	-54.37
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019943926	0	45	0.0	-76.50	370.28	4.10	-72.40
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019943926	1	45	0.0	-76.49	370.34	4.11	-72.38
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019943927	0	48	0.0	-78.42	394.62	6.97	-71.45
CC1=[NH+]C=CC(N[C@@H]2COCC[C@@H]2NC(=O)CCCC2=NN=N[N-]2)=N1	REAL300019943961	1	47	0.0	-69.21	376.06	2.31	-66.90
CC1=[NH+]C=CC(N[C@@H]2COCC[C@@H]2NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL300019943962	1	50	0.0	-72.79	399.28	5.50	-67.29
CC1=[NH+]C=CC(N[C@@H]2COCC[C@@H]2NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300019943963	1	47	0.0	-56.02	386.69	2.10	-53.92
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C[C@@H]21	REAL300019943986	0	46	0.0	-63.37	346.30	3.76	-59.61
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C[C@@H]21	REAL300019943986	1	46	0.0	-75.20	342.70	4.24	-70.96
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL300019943987	0	43	0.0	-58.68	333.24	1.63	-57.05
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL300019943987	1	43	0.0	-58.40	333.88	1.62	-56.78
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL300019943987	1	43	0.0	-58.69	333.17	1.62	-57.07
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL300019943987	1	43	0.0	-58.45	333.82	1.60	-56.85
C[NH+](C)C(CC(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300019948429	0	50	0.0	-59.27	373.14	4.71	-54.56
C[NH+](C)C(CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300019948429	1	50	0.0	-59.26	373.20	4.71	-54.55
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948440	0	54	0.0	-47.81	375.43	4.98	-42.83
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948440	1	54	0.0	-50.86	373.43	4.54	-46.32
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948440	1	54	0.0	-47.80	375.49	4.98	-42.82
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948440	1	54	0.0	-50.89	373.49	4.54	-46.35
O=C(CCCC[NH+]1CCOCC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948540	1	51	0.0	-61.48	381.37	2.30	-59.18
O=C(CCCC[NH+]1CCOCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948540	1	51	0.0	-61.51	381.43	2.30	-59.21
O=C(C1CC[NH+](C2CC2)CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948777	0	48	0.0	-67.65	352.97	3.77	-63.88
O=C(C1CC[NH+](C2CC2)CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948777	1	48	0.0	-67.68	353.03	3.77	-63.91
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C12CCC[NH+]1CCC2	REAL300019948789	0	45	0.0	-59.26	322.48	2.34	-56.92
O=C(C1CCC[N@@H+]1C1CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948918	0	45	0.0	-52.44	336.11	2.92	-49.52
O=C(C1CCC[N@H+]1C1CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948918	1	45	0.0	-49.61	330.62	2.48	-47.13
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948962	0	54	0.0	-64.05	403.02	5.98	-58.07
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948962	1	54	0.0	-64.09	403.08	5.99	-58.10
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948994	0	51	0.0	-63.39	385.69	5.25	-58.14
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948994	1	51	0.0	-63.40	385.76	5.26	-58.14
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019948996	1	48	0.0	-63.99	343.74	1.86	-62.13
CC(C)[N@H+]1CCOC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019948996	1	48	0.0	-56.81	350.49	2.03	-54.78
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019948996	1	48	0.0	-63.97	343.80	1.87	-62.10
CC(C)[N@H+]1CCOC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019948996	1	48	0.0	-56.77	350.55	2.03	-54.74
CC[NH+](CC)CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019949012	0	53	0.0	-63.34	396.36	5.49	-57.85
CC[NH+](CC)CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019949012	1	53	0.0	-63.31	396.42	5.50	-57.81
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949035	0	47	0.0	-52.94	359.76	4.21	-48.73
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949035	1	47	0.0	-52.91	359.83	4.22	-48.69
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949106	0	54	0.0	-52.05	401.64	5.52	-46.53
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949106	1	54	0.0	-52.02	401.70	5.52	-46.50
CC1=[NH+]C=C2CCC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)CN21	REAL300019949124	1	46	0.0	-52.55	352.35	3.64	-48.91
CC1=[NH+]C=C2CCC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)CN21	REAL300019949124	1	46	0.0	-52.53	352.41	3.65	-48.88
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949131	0	57	0.0	-62.40	427.58	6.98	-55.42
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949131	1	57	0.0	-57.84	417.13	6.49	-51.35
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949131	1	57	0.0	-62.43	427.64	6.99	-55.44
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949131	1	57	0.0	-57.88	417.19	6.50	-51.38
CCN1CCC([NH+]2CCC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)CC2)CC1	REAL300019949135	0	62	0.0	-60.49	438.41	3.86	-56.63
CCN1CCC([NH+]2CCC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)CC2)CC1	REAL300019949135	1	62	0.0	-60.52	438.47	3.86	-56.66
C[NH+](C)CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=N1	REAL300019949177	0	46	0.0	-73.97	357.17	2.39	-71.58
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949189	1	39	0.0	-66.94	317.91	4.01	-62.93
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950724	0	58	0.0	-61.61	430.40	7.04	-54.57
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950724	1	58	0.0	-61.14	429.29	7.22	-53.92
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950724	1	58	0.0	-61.60	430.46	7.05	-54.55
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950724	1	58	0.0	-61.13	429.35	7.23	-53.90
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950745	1	43	0.0	-49.95	336.07	1.60	-48.35
O=C(C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950746	1	51	0.0	-66.16	404.74	6.12	-60.04
O=C(C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950746	1	51	0.0	-55.52	398.60	5.49	-50.03
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019950829	0	48	0.0	-53.70	343.56	0.83	-52.87
C[N@H+]1CCCC(O)(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019950829	1	48	0.0	-53.13	353.30	1.04	-52.09
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019950829	1	48	0.0	-53.71	343.63	0.84	-52.87
C[N@H+]1CCCC(O)(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019950829	1	48	0.0	-53.17	353.36	1.04	-52.13
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019950988	1	55	0.0	-59.17	418.72	2.36	-56.81
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019950988	1	55	0.0	-60.67	428.63	2.05	-58.62
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL300019950989	1	52	0.0	-62.25	399.52	0.08	-62.17
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL300019950989	1	52	0.0	-63.15	398.95	0.19	-62.96
C[NH+](C)CCSC1=NC(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CS1	REAL300019951127	0	50	0.0	-71.10	412.57	3.33	-67.77
C[NH+](C)CCSC1=NC(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CS1	REAL300019951127	1	50	0.0	-71.16	412.63	3.34	-67.82
C[NH+](C)C1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)COC2=CC=CC=C2C1	REAL300019951130	1	52	0.0	-75.32	367.07	2.97	-72.35
C[NH+](C)CCOC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019953541	0	51	0.0	-72.34	391.59	3.97	-68.37
C[NH+](C)CCOC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019953541	1	51	0.0	-72.38	391.65	3.97	-68.41
COC(=O)CC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300019953588	0	53	0.0	-53.63	386.23	4.40	-49.23
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019953736	0	57	0.0	-60.46	422.78	6.65	-53.81
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019953736	1	57	0.0	-60.46	422.84	6.66	-53.80
CC1C[N@H+](CC2=CC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C2)CCO1	REAL300019953737	1	55	0.0	-64.12	415.67	4.06	-60.06
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C2)CCO1	REAL300019953737	1	55	0.0	-66.57	416.67	4.40	-62.17
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019953822	0	50	0.0	-60.95	352.72	3.46	-57.49
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019953822	1	50	0.0	-60.92	352.78	3.47	-57.45
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019953906	0	53	0.0	-54.52	375.76	4.51	-50.01
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019953906	1	53	0.0	-64.94	383.09	4.22	-60.72
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019953906	1	53	0.0	-54.52	375.76	4.51	-50.01
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019953906	1	53	0.0	-64.94	383.09	4.22	-60.72
CC[N@@H+]1CCCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019953907	0	47	0.0	-54.78	344.88	2.85	-51.93
CC[N@H+]1CCCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019953907	1	47	0.0	-57.30	346.25	3.22	-54.08
CC[N@@H+]1CCCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019953907	1	47	0.0	-54.78	344.88	2.85	-51.93
CC[N@H+]1CCCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019953907	1	47	0.0	-57.30	346.25	3.22	-54.08
C[NH+](C)CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019953916	0	41	0.0	-62.11	325.06	6.54	-55.57
C[NH+](C)CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019953916	1	41	0.0	-61.86	325.15	6.54	-55.32
CC1=[NH+]C2=CC(NNC(=O)CCCC3=N[N-]N=N3)=CC=C2N1	REAL300019953924	0	38	0.0	-66.08	321.11	2.91	-63.17
CC1=[NH+]C2=CC(NNC(=O)CCCC3=NN=N[N-]3)=CC=C2N1	REAL300019953924	1	38	0.0	-66.15	321.17	2.92	-63.23
CC1=[NH+]C2=CC(NNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C2N1	REAL300019953925	1	38	0.0	-54.71	331.77	2.69	-52.02
CN(CCCN1CCOCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019953932	0	48	0.0	-63.45	371.81	6.75	-56.70
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019953932	1	48	0.0	-63.45	371.81	6.75	-56.70
CN(CCCN1CCOCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019953933	0	45	0.0	-60.92	357.38	4.53	-56.39
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019953933	1	45	0.0	-60.92	357.38	4.53	-56.39
CN(C)C1=NC=CC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300019953934	0	44	0.0	-67.71	347.53	5.07	-62.64
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300019953934	1	44	0.0	-67.71	347.53	5.07	-62.64
CN(C)C1=NC=CC2=C1CN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)CC2	REAL300019953935	0	47	0.0	-74.70	367.22	7.46	-67.24
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)CC2	REAL300019953935	1	47	0.0	-74.70	367.22	7.46	-67.24
CN(C)C1=NC=CC2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300019953936	0	44	0.0	-52.65	355.00	5.33	-47.32
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300019953936	1	44	0.0	-52.65	355.00	5.33	-47.32
CN(C)C1=NC=CC=C1O[C@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019953946	0	48	0.0	-73.86	384.26	4.35	-69.51
CN(C)C1=[NH+]C=CC=C1O[C@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019953946	1	48	0.0	-73.86	384.26	4.35	-69.51
CN(C)C1=NC=CC=C1O[C@H]1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019953947	0	51	0.0	-74.75	404.57	6.71	-68.04
CN(C)C1=[NH+]C=CC=C1O[C@H]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019953947	1	51	0.0	-74.75	404.57	6.71	-68.04
CN(C)C1=NC=CC=C1O[C@H]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019953948	0	48	0.0	-59.42	391.50	4.60	-54.82
CN(C)C1=[NH+]C=CC=C1O[C@H]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019953948	1	48	0.0	-59.42	391.50	4.60	-54.82
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C3=CN=CC=C32)CC1	REAL300019953982	0	52	0.0	-73.38	405.49	5.57	-67.81
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C3=CN=CC=C32)CC1	REAL300019953982	1	52	0.0	-73.44	405.55	5.59	-67.85
COC(=O)[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1C[N@H+](C)CC2	REAL300019954039	0	48	0.0	-85.68	371.49	5.41	-80.27
COC(=O)[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1C[N@@H+](C)CC2	REAL300019954039	1	48	0.0	-77.80	372.40	5.35	-72.45
COC(=O)[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1C[N@H+](C)CC2	REAL300019954039	1	48	0.0	-85.68	371.49	5.41	-80.27
COC(=O)[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1C[N@@H+](C)CC2	REAL300019954039	1	48	0.0	-77.80	372.40	5.35	-72.45
COC(=O)[C@]12CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C[C@H]1C[N@H+](C)CC2	REAL300019954040	0	51	0.0	-91.55	391.87	7.90	-83.65
COC(=O)[C@]12CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C[C@H]1C[N@@H+](C)CC2	REAL300019954040	1	51	0.0	-78.72	389.59	7.92	-70.80
COC(=O)[C@]12CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C[C@H]1C[N@H+](C)CC2	REAL300019954040	1	51	0.0	-91.55	391.87	7.90	-83.65
COC(=O)[C@]12CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C[C@H]1C[N@@H+](C)CC2	REAL300019954040	1	51	0.0	-78.72	389.59	7.92	-70.80
COC(=O)[C@]12CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]1C[N@H+](C)CC2	REAL300019954041	0	48	0.0	-54.54	378.91	5.61	-48.93
COC(=O)[C@]12CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]1C[N@@H+](C)CC2	REAL300019954041	1	48	0.0	-69.84	377.04	5.42	-64.42
COC(=O)[C@]12CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]1C[N@H+](C)CC2	REAL300019954041	1	48	0.0	-54.54	378.91	5.61	-48.93
COC(=O)[C@]12CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]1C[N@@H+](C)CC2	REAL300019954041	1	48	0.0	-69.84	377.04	5.42	-64.42
CC(C)C(CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019954051	0	49	0.0	-72.54	363.75	6.94	-65.60
CC(C)C(CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[NH+](C)C	REAL300019954051	1	49	0.0	-72.34	363.84	6.94	-65.40
CC(C)C(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+](C)C	REAL300019954052	0	46	0.0	-57.76	347.88	3.66	-54.10
CC(C)C(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+](C)C	REAL300019954052	1	46	0.0	-57.77	347.95	3.68	-54.09
C[NH+](C)C1(C)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019954070	0	44	0.0	-82.85	330.81	6.66	-76.19
C[NH+](C)C1(C)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019954070	1	44	0.0	-84.31	331.54	6.67	-77.64
C[NH+](C)C1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019954071	0	41	0.0	-60.01	317.24	4.34	-55.67
C[NH+](C)C1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019954071	1	41	0.0	-60.03	317.30	4.34	-55.69
C[N@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCOCC1	REAL300019954125	0	48	0.0	-76.73	368.92	5.32	-71.41
C[N@@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCOCC1	REAL300019954125	1	48	0.0	-77.06	369.27	5.29	-71.77
C[N@H+](CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCOCC1	REAL300019954125	1	48	0.0	-76.73	368.92	5.32	-71.41
C[N@@H+](CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCOCC1	REAL300019954125	1	48	0.0	-77.06	369.27	5.29	-71.77
C[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300019954126	0	45	0.0	-61.94	355.11	2.19	-59.75
C[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300019954126	1	45	0.0	-61.95	355.11	2.20	-59.75
C[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300019954126	1	45	0.0	-61.94	355.11	2.19	-59.75
C[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300019954126	1	45	0.0	-61.95	355.11	2.20	-59.75
C=CC[N@@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958776	1	42	0.0	-55.06	326.17	6.40	-48.66
C=CC[N@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958776	1	42	0.0	-56.14	326.96	6.60	-49.54
C=CC[N@@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958776	1	42	0.0	-55.07	326.10	6.39	-48.68
C=CC[N@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958776	1	42	0.0	-56.10	326.89	6.60	-49.50
CCCC1=[NH+]C=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL300019958901	1	45	0.0	-66.13	364.36	5.33	-60.80
CCCC1=[NH+]C=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL300019958901	1	45	0.0	-66.16	364.41	5.34	-60.82
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958902	1	48	0.0	-71.57	388.73	8.24	-63.33
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958903	1	45	0.0	-55.40	375.02	5.14	-50.26
O=C(CCCC1=N[N-]N=N1)N1CC23CCCC2(C1)C[NH+](CC1=CC=CC=C1)C3	REAL300019958929	0	56	0.0	-81.57	421.11	9.16	-72.41
O=C(CCCC1=NN=N[N-]1)N1CC23CCCC2(C1)C[NH+](CC1=CC=CC=C1)C3	REAL300019958929	1	56	0.0	-81.59	421.16	9.17	-72.42
C=CC[N@@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019958961	0	45	0.0	-81.21	337.92	8.22	-72.99
C=CC[N@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019958961	1	45	0.0	-81.05	338.65	8.29	-72.76
C=CC[N@@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958962	1	42	0.0	-55.06	326.17	6.40	-48.66
C=CC[N@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958962	1	42	0.0	-56.14	326.96	6.60	-49.54
C=CC[N@@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958962	1	42	0.0	-55.07	326.10	6.39	-48.68
C=CC[N@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958962	1	42	0.0	-56.10	326.89	6.60	-49.50
C[NH+]1CC23CCCC2(CN(C(=O)CCCC2=N[N-]N=N2)C3)C1	REAL300019959021	0	46	0.0	-80.21	343.13	5.49	-74.72
C[NH+]1CC23CCCC2(CN(C(=O)CCCC2=NN=N[N-]2)C3)C1	REAL300019959021	1	46	0.0	-80.25	343.19	5.51	-74.74
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=CC(NC4=NN=N[N-]4)=C2)C3)C1	REAL300019959022	0	49	0.0	-88.89	361.71	8.02	-80.87
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=CC(NC4=N[N-]N=N4)=C2)C3)C1	REAL300019959022	1	49	0.0	-88.71	361.81	8.03	-80.68
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C4=N[N-]N=N4)C=N2)C3)C1	REAL300019959023	0	46	0.0	-65.22	347.95	5.77	-59.45
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C4=NN=N[N-]4)C=N2)C3)C1	REAL300019959023	1	46	0.0	-65.27	348.02	5.79	-59.48
O=C(CCCC1=N[N-]N=N1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300019959033	0	45	0.0	-68.77	356.32	5.18	-63.59
O=C(CCCC1=NN=N[N-]1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300019959033	1	45	0.0	-68.78	356.38	5.20	-63.58
O=C(NCC(C1=CSC=C1)[NH+]1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019959034	0	48	0.0	-74.31	386.92	9.05	-65.26
O=C(NCC(C1=CSC=C1)[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019959035	0	45	0.0	-54.21	372.40	5.98	-48.23
C[N@@H+]1CCC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2C1	REAL300019959153	0	42	0.0	-76.88	334.61	5.68	-71.20
C[N@H+]1CCC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2C1	REAL300019959153	1	42	0.0	-76.89	334.32	5.69	-71.20
C[N@@H+]1CCC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2C1	REAL300019959153	1	42	0.0	-76.85	334.67	5.70	-71.15
C[N@H+]1CCC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2C1	REAL300019959153	1	42	0.0	-76.81	334.38	5.71	-71.10
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=C2C1	REAL300019959154	0	45	0.0	-83.03	359.40	8.55	-74.48
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=C2C1	REAL300019959154	1	45	0.0	-82.64	359.24	8.62	-74.02
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C=C2C1	REAL300019959154	1	45	0.0	-82.76	359.50	8.55	-74.21
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C=C2C1	REAL300019959154	1	45	0.0	-82.44	359.35	8.63	-73.81
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2C1	REAL300019959155	0	42	0.0	-65.24	344.97	5.49	-59.75
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2C1	REAL300019959155	1	42	0.0	-65.39	345.28	5.48	-59.91
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2C1	REAL300019959155	1	42	0.0	-65.25	344.90	5.49	-59.76
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2C1	REAL300019959155	1	42	0.0	-65.40	345.21	5.46	-59.94
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019967109	0	44	0.0	-65.05	333.55	1.54	-63.51
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019967109	1	44	0.0	-60.89	343.45	1.73	-59.16
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019969680	0	47	0.0	-79.20	380.82	4.75	-74.45
COC(=O)CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+]1CCCCC1	REAL300019969724	1	49	0.0	-68.94	379.09	5.30	-63.64
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969861	0	53	0.0	-72.11	412.87	7.40	-64.71
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)CCO1	REAL300019969862	1	51	0.0	-83.35	398.67	5.11	-78.24
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)CCO1	REAL300019969862	1	51	0.0	-82.91	398.72	5.12	-77.79
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019969931	0	40	0.0	-69.30	322.89	3.19	-66.11
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019969943	0	46	0.0	-58.70	345.39	4.17	-54.53
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019970026	0	49	0.0	-68.94	374.29	5.20	-63.74
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019970026	1	49	0.0	-68.94	374.29	5.20	-63.74
CC[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019970027	0	43	0.0	-62.07	329.07	3.96	-58.11
CC[N@H+]1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019970027	1	43	0.0	-62.07	329.07	3.96	-58.11
O=C(CCCC1=N[N-]N=N1)N1CCC[NH2+]C(C2=CC=CC=C2)C1	REAL300019970057	0	45	0.0	-74.50	347.87	6.33	-68.17
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[NH2+]C(C2=CC=CC=C2)C1	REAL300019970058	0	48	0.0	-76.73	370.40	8.87	-67.86
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[NH2+]C(C2=CC=CC=C2)C1	REAL300019970058	1	48	0.0	-76.73	370.40	8.87	-67.86
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[NH2+]C(C2=CC=CC=C2)C1	REAL300019970059	0	45	0.0	-62.77	346.46	6.57	-56.20
C[NH+](C)CCN1C=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL300019970110	0	47	0.0	-79.33	381.33	6.91	-72.42
C[NH+](C)CCN1C=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL300019970110	1	47	0.0	-79.33	381.33	6.91	-72.42
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)=CC=C21	REAL300019970111	0	50	0.0	-82.19	405.74	9.81	-72.38
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)=CC=C21	REAL300019970111	1	50	0.0	-82.19	405.74	9.81	-72.38
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C21	REAL300019970112	0	47	0.0	-74.24	392.13	6.68	-67.56
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C21	REAL300019970112	1	47	0.0	-74.24	392.13	6.68	-67.56
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300019970116	0	57	0.0	-77.88	444.11	7.46	-70.42
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300019970116	1	57	0.0	-73.51	442.69	7.84	-65.67
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300019970116	1	57	0.0	-77.88	444.17	7.47	-70.41
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300019970116	1	57	0.0	-77.88	444.17	7.47	-70.41
COC1=CC(C)=NC(C)=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970132	1	42	0.0	-65.65	345.14	7.04	-58.61
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970132	1	42	0.0	-65.65	345.14	7.04	-58.61
COC1=CC(C)=NC(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970133	1	39	0.0	-53.03	336.69	2.66	-50.37
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970133	1	39	0.0	-53.03	336.76	2.67	-50.36
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970133	1	39	0.0	-53.03	336.76	2.67	-50.36
C[NH+]1CCC2(CCN(C(=O)CCCC3=N[N-]N=N3)CC2CO)CC1	REAL300019970159	0	52	0.0	-84.13	370.48	2.96	-81.17
C[NH+]1CCC2(CCN(C(=O)CCCC3=NN=N[N-]3)CC2CO)CC1	REAL300019970159	1	52	0.0	-84.13	370.48	2.96	-81.17
C[NH+]1CCC2(CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2CO)CC1	REAL300019970160	0	55	0.0	-85.95	391.29	5.51	-80.44
C[NH+]1CCC2(CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2CO)CC1	REAL300019970160	1	55	0.0	-85.95	391.29	5.51	-80.44
C[NH+]1CCC2(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2CO)CC1	REAL300019970161	0	52	0.0	-68.91	378.40	3.20	-65.71
C[NH+]1CCC2(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2CO)CC1	REAL300019970161	1	52	0.0	-68.91	378.40	3.20	-65.71
CN(C(=O)CCCC1=N[N-]N=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019970179	0	51	0.0	-65.80	383.81	8.65	-57.15
CN(C(=O)CCCC1=NN=N[N-]1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019970179	1	51	0.0	-65.80	383.81	8.65	-57.15
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019970180	0	54	0.0	-79.24	410.22	11.22	-68.02
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019970180	1	54	0.0	-79.24	410.22	11.22	-68.02
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019970181	0	51	0.0	-55.05	391.16	9.04	-46.01
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019970181	1	51	0.0	-55.05	391.16	9.04	-46.01
C[NH+]1CCC(C2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300019970191	0	48	0.0	-77.07	373.75	6.99	-70.08
C[NH+]1CCC(C2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300019970191	1	48	0.0	-77.07	373.75	6.99	-70.08
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)=C2)CC1	REAL300019970192	0	51	0.0	-72.60	398.45	9.93	-62.67
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)=C2)CC1	REAL300019970192	1	51	0.0	-72.60	398.45	9.93	-62.67
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300019970193	0	48	0.0	-62.76	384.00	6.78	-55.98
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300019970193	1	48	0.0	-62.76	384.00	6.78	-55.98
CC(C)(CC[NH+]1CCCC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970194	0	50	0.0	-79.50	374.33	7.52	-71.98
CC(C)(CC[NH+]1CCCC1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970194	1	50	0.0	-79.50	374.33	7.52	-71.98
CC(C)(CC[NH+]1CCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970195	0	47	0.0	-61.57	361.79	4.53	-57.04
CC(C)(CC[NH+]1CCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970195	1	47	0.0	-61.57	361.79	4.53	-57.04
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019970665	0	50	0.0	-74.36	367.41	7.81	-66.55
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019970665	1	50	0.0	-74.34	367.40	7.82	-66.52
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019970665	1	50	0.0	-74.13	367.51	7.84	-66.29
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019970665	1	50	0.0	-74.52	367.88	7.82	-66.70
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019970666	0	47	0.0	-54.39	353.64	4.71	-49.68
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019970666	1	47	0.0	-54.34	353.63	4.71	-49.63
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019970666	1	47	0.0	-54.35	353.71	4.71	-49.64
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019970666	1	47	0.0	-54.37	353.70	4.71	-49.66
O=C(CCCC[NH+]1CCCC1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019971188	0	45	0.0	-64.15	379.34	7.24	-56.91
O=C(CCCC[NH+]1CCCC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971188	1	45	0.0	-64.12	379.41	7.23	-56.89
O=C(CC[N@H+]1CCC(F)C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973080	0	39	0.0	-68.44	342.27	5.73	-62.71
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973080	1	39	0.0	-72.62	342.12	5.67	-66.95
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019973083	1	39	0.0	-76.86	352.32	5.74	-71.12
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019973084	0	45	0.0	-65.28	366.51	6.71	-58.57
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019973084	1	45	0.0	-60.76	366.92	6.72	-54.04
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019973084	1	45	0.0	-65.33	366.44	6.72	-58.61
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019973084	1	45	0.0	-60.78	366.86	6.73	-54.05
CCC[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019973085	0	45	0.0	-57.54	365.34	7.11	-50.43
CCC[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019973085	1	45	0.0	-62.64	371.76	6.95	-55.69
CCC[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019973085	1	45	0.0	-57.55	365.28	7.13	-50.42
CCC[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019973085	1	45	0.0	-62.68	371.70	6.96	-55.72
CC(CC[NH+](C)C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019973086	0	41	0.0	-64.98	347.84	5.80	-59.18
CC(CC[NH+](C)C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973086	1	41	0.0	-64.92	347.90	5.80	-59.12
C[N@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@@H]1CCC[C@H]1O	REAL300019973124	1	43	0.0	-59.67	358.57	3.31	-56.36
C[N@@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[C@@H]1CCC[C@H]1O	REAL300019973124	1	43	0.0	-62.98	358.36	3.17	-59.81
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973139	0	45	0.0	-63.73	371.99	7.09	-56.64
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973139	1	45	0.0	-58.41	371.08	7.06	-51.35
O=C(C[NH+]1CCC(CO)CC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973140	1	43	0.0	-68.33	361.71	3.10	-65.23
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973144	0	42	0.0	-64.86	340.69	2.83	-62.03
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973144	1	42	0.0	-77.20	339.37	2.80	-74.40
C[NH+](C)C1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300019973169	0	42	0.0	-57.63	336.18	6.10	-51.53
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973195	0	42	0.0	-61.51	347.19	6.01	-55.50
CC(C)[N@H+]1CCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973195	1	42	0.0	-61.49	346.94	6.02	-55.47
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019974308	0	57	0.0	-75.90	442.14	4.93	-70.97
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019974308	1	57	0.0	-75.94	442.20	4.94	-71.00
O=C(CCCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300019974402	0	56	0.0	-66.81	418.66	5.84	-60.97
O=C(CCCC1=N[N-]N=N1)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300019974402	1	56	0.0	-68.37	419.93	5.83	-62.54
O=C(CCCC1=NN=N[N-]1)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300019974402	1	56	0.0	-66.83	418.72	5.86	-60.97
O=C(CCCC1=NN=N[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300019974402	1	56	0.0	-68.42	419.98	5.85	-62.57
C[N@@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)CC12CCOCC2	REAL300019974403	0	46	0.0	-65.75	342.82	2.30	-63.45
C[N@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)CC12CCOCC2	REAL300019974403	1	46	0.0	-66.46	342.67	2.32	-64.14
C[N@@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)CC12CCOCC2	REAL300019974403	1	46	0.0	-65.74	342.88	2.31	-63.43
C[N@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)CC12CCOCC2	REAL300019974403	1	46	0.0	-66.49	342.73	2.34	-64.15
C[N@@H+]1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC12CCOCC2	REAL300019974404	0	49	0.0	-69.13	367.08	5.20	-63.93
C[N@H+]1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC12CCOCC2	REAL300019974404	1	49	0.0	-69.62	366.31	5.17	-64.45
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCOCC2	REAL300019974405	0	46	0.0	-56.77	354.90	2.25	-54.52
C[N@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCOCC2	REAL300019974405	1	46	0.0	-57.02	352.99	2.30	-54.72
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCOCC2	REAL300019974405	1	46	0.0	-56.83	354.83	2.25	-54.58
C[N@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCOCC2	REAL300019974405	1	46	0.0	-57.05	352.92	2.30	-54.75
CC(C)[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CO1	REAL300019974463	0	47	0.0	-70.89	362.34	4.41	-66.48
CC(C)[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CO1	REAL300019974463	1	47	0.0	-71.14	361.07	4.55	-66.59
CC(C)[N@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CC1=CC=CO1	REAL300019974464	0	50	0.0	-76.51	383.32	7.00	-69.51
CC(C)[N@@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CC1=CC=CO1	REAL300019974464	1	50	0.0	-76.50	385.65	7.46	-69.04
CC(C)[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CO1	REAL300019974465	0	47	0.0	-59.43	372.95	4.20	-55.23
CC(C)[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CO1	REAL300019974465	1	47	0.0	-59.91	371.68	4.34	-55.57
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O=C(CCCC1=NN=N[N-]1)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300019974541	1	49	0.0	-63.04	357.94	5.06	-57.98
CC1=CC=C(C[NH+]2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019974556	1	48	0.0	-73.47	373.60	7.71	-65.76
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C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019974606	1	48	0.0	-68.57	355.39	4.86	-63.71
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019974607	1	45	0.0	-54.62	342.65	2.19	-52.43
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019974607	1	45	0.0	-54.81	339.67	2.50	-52.31
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O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+](C2CCCC2)C1	REAL300019974685	1	51	0.0	-66.39	373.20	6.21	-60.18
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O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+](C2CCCC2)C1	REAL300019974685	1	51	0.0	-66.40	373.26	6.22	-60.18
O=C(NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019974686	0	54	0.0	-74.94	404.84	9.11	-65.83
O=C(NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019974686	1	54	0.0	-71.45	397.98	9.08	-62.37
O=C(NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019974686	1	54	0.0	-74.61	404.51	9.16	-65.45
O=C(NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019974686	1	54	0.0	-71.26	398.07	9.09	-62.17
O=C(NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019974687	0	51	0.0	-58.83	390.68	6.02	-52.81
O=C(NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019974687	1	51	0.0	-57.82	383.80	5.99	-51.83
O=C(NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019974687	1	51	0.0	-58.78	390.75	6.03	-52.75
O=C(NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019974687	1	51	0.0	-57.79	383.86	6.00	-51.79
C[NH+](C)CCC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCO1	REAL300019974780	0	48	0.0	-73.44	369.90	6.55	-66.89
C[NH+](C)CCC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCO1	REAL300019974780	1	48	0.0	-70.68	370.01	6.64	-64.04
C[NH+](C)CCC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300019974781	0	45	0.0	-55.17	355.57	4.33	-50.84
C[NH+](C)CCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300019974781	1	45	0.0	-59.59	355.67	4.35	-55.24
C[NH+](C)C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019974833	0	44	0.0	-60.98	351.36	5.63	-55.35
C[NH+](C)C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019974833	1	44	0.0	-60.93	351.41	5.65	-55.28
C[NH+](C)C[C@@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300019974834	0	47	0.0	-63.61	374.87	8.50	-55.11
C[NH+](C)C[C@@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300019974834	1	47	0.0	-63.39	374.96	8.53	-54.86
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300019974835	0	44	0.0	-53.51	359.31	5.75	-47.76
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300019974835	1	44	0.0	-53.54	359.37	5.76	-47.78
O=C(NCC[NH+]1CC2CC2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019974913	0	42	0.0	-74.67	337.24	6.56	-68.11
O=C(NCC[NH+]1CC2CC2C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019974913	1	42	0.0	-74.67	337.72	6.56	-68.11
CC1=CC(C)=[NH+]C(NNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019974953	1	37	0.0	-48.23	321.45	3.59	-44.64
C[NH+](C)C1CN(C(=O)CCCC2=N[N-]N=N2)C2(C1)CCOCC2	REAL300019974967	0	49	0.0	-81.44	353.80	5.00	-76.44
C[NH+](C)C1CN(C(=O)CCCC2=NN=N[N-]2)C2(C1)CCOCC2	REAL300019974967	1	49	0.0	-81.48	353.86	5.02	-76.46
C[NH+](C)C1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C2(C1)CCOCC2	REAL300019974968	0	52	0.0	-90.80	373.12	7.52	-83.28
C[NH+](C)C1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C2(C1)CCOCC2	REAL300019974968	1	52	0.0	-90.53	373.20	7.53	-83.00
C[NH+](C)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(C1)CCOCC2	REAL300019974969	0	49	0.0	-62.44	360.92	5.27	-57.17
C[NH+](C)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(C1)CCOCC2	REAL300019974969	1	49	0.0	-62.40	360.99	5.27	-57.13
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(N(C)C)[NH+]=C1	REAL300019974984	1	46	0.0	-62.15	366.22	4.98	-57.17
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300019974986	1	46	0.0	-53.09	376.83	4.76	-48.33
CN(C)C1=CC=C(C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)C=[NH+]1	REAL300019974995	1	49	0.0	-60.28	378.59	5.46	-54.82
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=[NH+]1	REAL300019974997	1	49	0.0	-52.20	389.57	5.27	-46.93
O=C(NCC1CCCC2=[NH+]C=CN21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019975153	1	43	0.0	-69.49	343.19	7.50	-61.99
O=C(NCC1CCCC2=[NH+]C=CN21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019975154	1	40	0.0	-51.13	329.47	4.39	-46.74
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019996861	0	60	0.0	-83.50	438.17	6.06	-77.44
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019996861	1	60	0.0	-83.57	438.23	6.07	-77.50
CC1C[N@H+](CC2=CC=CC(CNC(=O)CCCC3=NN=N[N-]3)=C2)CCO1	REAL300019996874	1	52	0.0	-74.03	404.87	5.57	-68.46
CC1C[N@@H+](CC2=CC=CC(CNC(=O)CCCC3=NN=N[N-]3)=C2)CCO1	REAL300019996874	1	52	0.0	-74.55	411.62	5.61	-68.94
CC1C[N@H+](CC2=CC=CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CCO1	REAL300019996875	1	52	0.0	-61.85	415.47	5.35	-56.50
CC1C[N@@H+](CC2=CC=CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CCO1	REAL300019996875	1	52	0.0	-62.38	422.16	5.38	-57.00
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)CCCC1=N[N-]N=N1	REAL300019996910	0	50	0.0	-70.39	378.85	5.92	-64.47
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)CCCC1=NN=N[N-]1	REAL300019996910	1	50	0.0	-70.41	378.91	5.93	-64.48
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019996911	0	50	0.0	-57.14	389.92	5.85	-51.29
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019996911	1	50	0.0	-57.19	389.85	5.84	-51.35
CC[NH+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019996913	0	44	0.0	-59.27	348.39	4.16	-55.11
CC[NH+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019996913	1	44	0.0	-59.27	348.45	4.17	-55.10
C[NH+]1CCN(CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300019996964	0	50	0.0	-72.53	390.04	4.70	-67.83
C[NH+]1CCN(CC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300019996964	1	50	0.0	-72.57	390.09	4.71	-67.86
C[NH+]1CCN(CC2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300019996965	0	50	0.0	-62.04	400.56	4.48	-57.56
C[NH+]1CCN(CC2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300019996965	1	50	0.0	-62.00	400.63	4.49	-57.51
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2CC[NH+](CC3CC3)CC2)=C1	REAL300019996998	0	54	0.0	-75.87	416.42	6.68	-69.19
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2CC[NH+](CC3CC3)CC2)=C1	REAL300019996998	1	54	0.0	-75.83	416.47	6.69	-69.14
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CCC2=CC=CS2)CC1	REAL300019997023	1	45	0.0	-76.86	365.02	7.00	-69.86
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CCC2=CC=CS2)CC1	REAL300019997023	1	45	0.0	-76.89	365.07	7.01	-69.88
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](CCC2=CC=CS2)CC1	REAL300019997024	1	45	0.0	-61.79	372.59	7.24	-54.55
C[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019997033	0	44	0.0	-73.60	353.78	5.34	-68.26
C[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019997033	1	44	0.0	-73.63	353.83	5.34	-68.29
C[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019997033	1	44	0.0	-73.59	353.84	5.36	-68.23
C[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019997033	1	44	0.0	-73.62	353.89	5.36	-68.26
C[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300019997034	0	44	0.0	-62.59	364.37	5.13	-57.46
C[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300019997034	1	44	0.0	-62.60	364.43	5.14	-57.46
C[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300019997034	1	44	0.0	-62.60	364.44	5.14	-57.46
C[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300019997034	1	44	0.0	-62.58	364.50	5.15	-57.43
CC(C[N@@H+]1CCCC(C)C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997040	0	47	0.0	-56.94	368.97	5.23	-51.71
CC(C[N@H+]1CCCC(C)C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997040	1	47	0.0	-57.07	362.34	5.27	-51.80
CC(C[N@@H+]1CCCC(C)C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997040	1	47	0.0	-56.98	368.90	5.21	-51.77
CC(C[N@H+]1CCCC(C)C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997040	1	47	0.0	-57.10	362.28	5.27	-51.83
CC1CCC[N@@H+](C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019997069	0	50	0.0	-65.18	364.13	5.32	-59.86
CC1CCC[N@H+](C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019997069	1	50	0.0	-65.46	363.78	5.34	-60.12
CC1CCC[N@@H+](C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019997069	1	50	0.0	-65.19	364.19	5.34	-59.85
CC1CCC[N@H+](C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019997069	1	50	0.0	-65.55	363.83	5.36	-60.19
CC1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019997070	0	50	0.0	-52.26	368.05	5.15	-47.11
CC1CCC[N@H+](C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019997070	1	50	0.0	-52.59	374.43	5.15	-47.44
CC1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019997070	1	50	0.0	-52.25	367.99	5.15	-47.10
CC1CCC[N@H+](C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019997070	1	50	0.0	-52.65	374.37	5.15	-47.50
CC[N@H+](C)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019997071	0	47	0.0	-71.98	375.17	6.03	-65.95
CC[N@@H+](C)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019997071	1	47	0.0	-73.02	375.17	6.03	-66.99
CC[N@H+](C)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019997071	1	47	0.0	-72.02	375.23	6.04	-65.98
CC[N@@H+](C)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019997071	1	47	0.0	-73.04	375.23	6.04	-67.00
CC[N@H+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019997072	0	47	0.0	-60.06	385.77	5.82	-54.24
CC[N@@H+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019997072	1	47	0.0	-60.03	385.77	5.84	-54.19
CC[N@H+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019997072	1	47	0.0	-60.02	385.84	5.83	-54.19
CC[N@@H+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019997072	1	47	0.0	-59.98	385.84	5.84	-54.14
CCC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2Cl)CC1	REAL300019997108	0	53	0.0	-75.93	424.44	6.83	-69.10
CCC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2Cl)CC1	REAL300019997108	1	53	0.0	-75.95	424.50	6.85	-69.10
O=C(CCCC1=N[N-]N=N1)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300019997127	1	42	0.0	-74.98	347.52	4.87	-70.11
O=C(CCCC1=N[N-]N=N1)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300019997127	1	42	0.0	-75.01	347.53	4.87	-70.14
O=C(CCCC1=NN=N[N-]1)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300019997127	1	42	0.0	-75.01	347.58	4.89	-70.12
O=C(CCCC1=NN=N[N-]1)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300019997127	1	42	0.0	-75.04	347.58	4.89	-70.15
CC1CC(C)C[NH+](C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019997136	0	53	0.0	-64.68	378.10	5.92	-58.76
CC1CC(C)C[NH+](C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019997136	1	53	0.0	-64.73	378.15	5.94	-58.79
CC1CC(C)C[NH+](C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019997137	0	53	0.0	-52.50	395.63	5.71	-46.79
CC1CC(C)C[NH+](C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019997137	1	53	0.0	-52.51	395.57	5.71	-46.80
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL300019997162	0	48	0.0	-70.37	376.14	6.49	-63.88
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL300019997162	1	48	0.0	-70.44	376.60	6.61	-63.83
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL300019997162	1	48	0.0	-70.40	376.20	6.51	-63.89
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL300019997162	1	48	0.0	-70.48	376.65	6.62	-63.86
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019997163	0	48	0.0	-60.32	387.41	6.42	-53.90
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019997163	1	48	0.0	-60.08	386.44	6.28	-53.80
COCC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019997186	0	45	0.0	-59.28	361.10	2.64	-56.64
COCC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019997186	1	45	0.0	-59.26	361.17	2.65	-56.61
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020005066	0	47	0.0	-57.20	348.67	5.82	-51.38
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020005066	1	47	0.0	-56.90	348.71	5.81	-51.09
CC(C)[N@H+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020005066	1	47	0.0	-57.15	348.73	5.82	-51.33
CC(C)[N@@H+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020005066	1	47	0.0	-56.86	348.78	5.82	-51.04
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CC2CCCCC2)CC1	REAL300020005067	0	51	0.0	-73.65	373.84	7.46	-66.19
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC2CCCCC2)CC1	REAL300020005067	1	51	0.0	-73.67	373.90	7.47	-66.20
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](CC2CCCCC2)CC1	REAL300020005068	0	51	0.0	-58.48	381.58	7.69	-50.79
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](CC2CCCCC2)CC1	REAL300020005068	1	51	0.0	-58.51	381.52	7.70	-50.81
C[NH+](C)CCC(=O)NC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020005091	0	48	0.0	-78.50	387.37	4.34	-74.16
C[NH+](C)CCC(=O)NC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020005091	1	48	0.0	-78.54	387.42	4.36	-74.18
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@@H+]2CCCCC2C1	REAL300020005092	1	42	0.0	-55.08	324.84	5.40	-49.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@H+]2CCCCC2C1	REAL300020005092	1	42	0.0	-55.04	324.73	5.37	-49.67
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@@H+]2CCCCC2C1	REAL300020005092	1	42	0.0	-55.14	324.77	5.39	-49.75
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@H+]2CCCCC2C1	REAL300020005092	1	42	0.0	-55.05	324.66	5.36	-49.69
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300020005095	0	50	0.0	-79.11	394.20	5.65	-73.46
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300020005095	1	50	0.0	-79.11	394.26	5.67	-73.44
O=C(NC1CC[NH+](CCC2=CC=NC=C2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005096	0	50	0.0	-69.88	404.79	5.48	-64.40
O=C(NC1CC[NH+](CCC2=CC=NC=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005096	1	50	0.0	-69.81	404.86	5.48	-64.33
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2CCCCC2)CC1	REAL300020005138	0	54	0.0	-71.31	398.34	6.98	-64.33
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2CCCCC2)CC1	REAL300020005138	1	54	0.0	-71.33	398.40	6.99	-64.34
O=C(NC1CC[NH+](CC2CCCCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005139	0	54	0.0	-62.03	409.06	6.79	-55.24
O=C(NC1CC[NH+](CC2CCCCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005139	1	54	0.0	-61.95	409.13	6.80	-55.15
CCCC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020005167	0	47	0.0	-60.93	371.04	4.97	-55.96
CCCC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020005167	1	47	0.0	-60.92	371.11	4.97	-55.95
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020013489	1	48	0.0	-73.52	368.66	7.80	-65.72
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020013489	1	48	0.0	-73.50	368.67	7.80	-65.70
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020013489	1	48	0.0	-73.51	368.71	7.81	-65.70
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020013489	1	48	0.0	-73.51	368.73	7.82	-65.69
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020013490	1	48	0.0	-60.58	374.44	7.90	-52.68
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020013490	1	48	0.0	-60.70	374.55	7.91	-52.79
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2=CC=CN=C2)CC1	REAL300020013498	0	47	0.0	-74.28	371.70	4.73	-69.55
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2=CC=CN=C2)CC1	REAL300020013498	1	47	0.0	-74.26	371.64	4.71	-69.55
O=C(NC1CC[NH+](CC2=CC=CN=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020013499	1	47	0.0	-68.01	381.98	4.47	-63.54
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C[NH+]2CCCC2)C1	REAL300020013521	0	45	0.0	-63.54	352.71	6.06	-57.48
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C[NH+]2CCCC2)C1	REAL300020013521	1	45	0.0	-63.48	352.78	6.07	-57.41
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300020013525	0	51	0.0	-67.90	379.08	8.24	-59.66
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL300020013525	1	51	0.0	-67.96	379.14	8.26	-59.70
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300020013525	1	51	0.0	-67.92	379.14	8.25	-59.67
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL300020013525	1	51	0.0	-67.97	379.19	8.28	-59.69
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020013526	0	51	0.0	-60.92	390.93	9.60	-51.32
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020013526	1	51	0.0	-58.28	386.34	8.57	-49.71
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020013526	1	51	0.0	-60.98	390.86	9.60	-51.38
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020013526	1	51	0.0	-58.35	386.28	8.56	-49.79
O=C(CCCC1=N[N-]N=N1)N1CCCC([NH+]2CCCC2)CC1	REAL300020013530	0	48	0.0	-66.48	351.01	6.72	-59.76
O=C(CCCC1=NN=N[N-]1)N1CCCC([NH+]2CCCC2)CC1	REAL300020013530	1	48	0.0	-66.48	351.07	6.74	-59.74
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC([NH+]2CCCC2)CC1	REAL300020013531	0	48	0.0	-54.21	355.91	7.40	-46.81
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC([NH+]2CCCC2)CC1	REAL300020013531	1	48	0.0	-54.18	355.99	7.41	-46.77
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](C)CC1	REAL300020013535	0	46	0.0	-57.07	359.20	1.76	-55.31
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C)CC1	REAL300020013535	1	46	0.0	-57.09	359.27	1.76	-55.33
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300020013562	1	51	0.0	-65.96	403.26	7.91	-58.05
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300020013562	1	51	0.0	-69.64	409.20	7.38	-62.26
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2CCOC2)CC1	REAL300020013579	0	49	0.0	-73.66	372.77	3.72	-69.94
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2CCOC2)CC1	REAL300020013579	1	49	0.0	-73.68	372.83	3.73	-69.95
O=C(NC1CC[NH+](CC2CCOC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020013580	0	49	0.0	-65.83	383.19	3.50	-62.33
O=C(NC1CC[NH+](CC2CCOC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020013580	1	49	0.0	-65.82	383.26	3.50	-62.32
C[NH+](C)CCOC1=CC=CC=C1N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020013583	0	57	0.0	-75.83	432.72	6.51	-69.32
C[NH+](C)CCOC1=CC=CC=C1N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020013583	1	57	0.0	-75.84	432.77	6.52	-69.32
C[NH+](C)CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL300020013601	0	45	0.0	-67.78	377.22	5.60	-62.18
C[NH+](C)CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL300020013601	1	45	0.0	-67.76	377.28	5.62	-62.14
C[NH+](C)CCOC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1Cl	REAL300020013602	0	45	0.0	-63.79	387.91	5.38	-58.41
C[NH+](C)CCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1Cl	REAL300020013602	1	45	0.0	-63.68	388.12	5.36	-58.32
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CC2CCOCC2)CC1	REAL300020013627	0	49	0.0	-76.64	364.94	5.03	-71.61
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC2CCOCC2)CC1	REAL300020013627	1	49	0.0	-76.66	365.00	5.04	-71.62
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](CC2CCOCC2)CC1	REAL300020013628	0	49	0.0	-61.52	372.70	5.30	-56.22
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](CC2CCOCC2)CC1	REAL300020013628	1	49	0.0	-61.57	372.64	5.30	-56.27
C[NH+](C)CC1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300020013649	0	56	0.0	-74.86	421.77	6.57	-68.29
C[NH+](C)CC1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300020013649	1	56	0.0	-74.84	421.83	6.59	-68.25
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1OCC[NH+]1CCCC1	REAL300020013650	0	52	0.0	-68.76	406.25	6.80	-61.96
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1OCC[NH+]1CCCC1	REAL300020013650	1	52	0.0	-68.78	406.31	6.82	-61.96
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1OCC[NH+]1CCCC1	REAL300020013651	0	52	0.0	-63.55	415.76	6.88	-56.67
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020013652	0	49	0.0	-68.92	356.64	5.30	-63.62
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](C2CCOCC2)CC1	REAL300020013652	1	49	0.0	-68.90	356.66	5.30	-63.60
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020013652	1	49	0.0	-68.92	356.70	5.31	-63.61
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](C2CCOCC2)CC1	REAL300020013652	1	49	0.0	-68.90	356.72	5.31	-63.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020013653	0	49	0.0	-56.51	362.45	5.78	-50.73
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+](C2CCOCC2)CC1	REAL300020013653	1	49	0.0	-56.47	362.59	5.82	-50.65
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020013653	1	49	0.0	-56.52	362.39	5.78	-50.74
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@H+](C2CCOCC2)CC1	REAL300020013653	1	49	0.0	-56.48	362.52	5.81	-50.67
CC1=CC(NNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NC(C)=[NH+]1	REAL300020013661	1	36	0.0	-52.46	319.20	2.85	-49.61
CCCC[N@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020013667	0	53	0.0	-74.96	392.95	7.79	-67.17
CCCC[N@@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020013667	1	53	0.0	-76.77	392.92	7.77	-69.00
CCCC[N@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020013667	1	53	0.0	-74.99	393.01	7.80	-67.19
CCCC[N@@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020013667	1	53	0.0	-76.80	392.98	7.79	-69.01
CCCC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020013668	0	53	0.0	-61.25	400.40	8.03	-53.22
CCCC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020013668	1	53	0.0	-62.40	401.09	7.95	-54.45
CCCC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020013668	1	53	0.0	-61.24	400.47	8.06	-53.18
CCCC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020013668	1	53	0.0	-62.37	401.16	7.95	-54.42
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1C[N@H+](C)CCN1C	REAL300020013717	0	46	0.0	-58.93	357.36	1.99	-56.94
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1C[N@@H+](C)CCN1C	REAL300020013717	1	46	0.0	-58.93	357.00	1.99	-56.94
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1C[N@H+](C)CCN1C	REAL300020013717	1	46	0.0	-58.93	357.43	2.00	-56.93
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1C[N@@H+](C)CCN1C	REAL300020013717	1	46	0.0	-58.87	357.07	1.99	-56.88
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CCOC2=CC=C(Cl)C=C2)CC1	REAL300020013750	0	52	0.0	-74.91	423.46	6.86	-68.05
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CCOC2=CC=C(Cl)C=C2)CC1	REAL300020013750	1	52	0.0	-74.91	423.52	6.88	-68.03
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)CCCC1=N[N-]N=N1	REAL300020013761	1	52	0.0	-76.44	404.13	5.16	-71.28
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)CCCC1=NN=N[N-]1	REAL300020013761	1	52	0.0	-76.45	404.19	5.18	-71.27
CN(CCCN1CC[NH+](C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300020013820	0	49	0.0	-66.86	374.95	4.07	-62.79
CN(CCCN1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020013821	0	49	0.0	-58.68	382.91	4.49	-54.19
CN(CCCN1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020013821	1	49	0.0	-58.67	382.97	4.51	-54.16
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)CCCC1=N[N-]N=N1	REAL300020013827	0	53	0.0	-75.11	405.71	5.70	-69.41
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)CCCC1=NN=N[N-]1	REAL300020013827	1	53	0.0	-75.09	405.77	5.71	-69.38
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020013828	1	53	0.0	-61.96	417.03	5.56	-56.40
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020013828	1	53	0.0	-62.00	416.96	5.56	-56.44
CC1CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1C	REAL300020013833	0	44	0.0	-61.58	331.18	5.36	-56.22
CC1CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1C	REAL300020013833	1	44	0.0	-60.97	330.83	5.28	-55.69
CC1CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1C	REAL300020013833	1	44	0.0	-61.58	331.25	5.40	-56.18
CC1CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1C	REAL300020013833	1	44	0.0	-60.98	330.90	5.30	-55.68
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+](CC2=CC=CC=C2)C2(CCCCC2)C1	REAL300020013840	0	58	0.0	-70.15	416.82	9.74	-60.41
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+](CC2=CC=CC=C2)C2(CCCCC2)C1	REAL300020013840	1	58	0.0	-71.99	415.08	9.59	-62.40
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+](CC2=CC=CC=C2)C2(CCCCC2)C1	REAL300020013840	1	58	0.0	-70.17	416.88	9.76	-60.41
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+](CC2=CC=CC=C2)C2(CCCCC2)C1	REAL300020013840	1	58	0.0	-72.02	415.13	9.60	-62.42
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CCOC2=CC=C(F)C=C2)CC1	REAL300020013875	0	52	0.0	-75.94	413.14	6.41	-69.53
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CCOC2=CC=C(F)C=C2)CC1	REAL300020013875	1	52	0.0	-75.97	413.20	6.43	-69.54
CC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300020013880	1	52	0.0	-72.42	407.46	6.16	-66.26
CC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300020013880	1	52	0.0	-73.23	405.78	5.73	-67.50
CC1=[NH+]C=CN1CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020013913	1	42	0.0	-55.92	357.89	4.66	-51.26
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300020013937	0	48	0.0	-66.32	349.11	7.18	-59.14
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](C2CCCC2)CC1	REAL300020013937	1	48	0.0	-66.29	349.56	7.19	-59.10
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300020013937	1	48	0.0	-66.33	349.17	7.20	-59.13
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](C2CCCC2)CC1	REAL300020013937	1	48	0.0	-66.34	349.61	7.21	-59.13
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300020013938	0	48	0.0	-54.13	355.96	7.71	-46.42
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+](C2CCCC2)CC1	REAL300020013938	1	48	0.0	-53.97	354.74	7.84	-46.13
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300020013938	1	48	0.0	-54.13	355.90	7.71	-46.42
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@H+](C2CCCC2)CC1	REAL300020013938	1	48	0.0	-53.98	354.67	7.83	-46.15
CN(C)CC[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020013943	0	52	0.0	-73.24	392.79	3.13	-70.11
CN(C)CC[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020013943	1	52	0.0	-73.28	392.85	3.14	-70.14
C[NH+](C)CCN1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020013943	1	52	0.0	-74.06	392.20	3.24	-70.82
C[NH+](C)CCN1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020013943	1	52	0.0	-74.12	392.25	3.25	-70.87
O=C(CCCC1=N[N-]N=N1)N1CCC([NH2+]C2CCS(=O)(=O)C2)CC1	REAL300020013971	0	48	0.0	-98.71	376.15	1.20	-97.51
O=C(CCCC1=NN=N[N-]1)N1CCC([NH2+]C2CCS(=O)(=O)C2)CC1	REAL300020013971	1	48	0.0	-98.78	376.20	1.21	-97.57
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([NH2+]C2CCS(=O)(=O)C2)CC1	REAL300020013972	0	48	0.0	-84.64	384.53	1.49	-83.15
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH2+]C2CCS(=O)(=O)C2)CC1	REAL300020013972	1	48	0.0	-84.60	384.59	1.49	-83.11
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300020013986	1	53	0.0	-68.12	405.65	6.67	-61.45
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300020013986	1	53	0.0	-68.09	405.71	6.68	-61.41
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020013987	1	53	0.0	-61.62	413.40	7.09	-54.53
C[NH+](C)CCN(CC1CCCO1)C(=O)CCCC1=N[N-]N=N1	REAL300020013990	0	48	0.0	-68.88	367.64	5.45	-63.43
C[NH+](C)CCN(CC1CCCO1)C(=O)CCCC1=NN=N[N-]1	REAL300020013990	1	48	0.0	-68.88	367.69	5.47	-63.41
C[NH+](C)CCN(CC1CCCO1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020013991	0	48	0.0	-57.51	368.59	5.60	-51.91
C[NH+](C)CCN(CC1CCCO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020013991	1	48	0.0	-57.48	368.65	5.62	-51.86
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	REAL300020014007	0	58	0.0	-84.14	441.33	5.86	-78.28
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	REAL300020014007	1	58	0.0	-84.16	441.38	5.88	-78.28
O=C(CCCC1=N[N-]N=N1)NC(C[NH+]1CCCCC1)C1=CC=CC=C1	REAL300020014010	0	51	0.0	-71.31	395.90	8.00	-63.31
O=C(CCCC1=NN=N[N-]1)NC(C[NH+]1CCCCC1)C1=CC=CC=C1	REAL300020014010	1	51	0.0	-71.33	395.96	8.01	-63.32
C[NH+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020014011	0	44	0.0	-61.25	340.24	5.78	-55.47
C[NH+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020014011	1	44	0.0	-61.25	340.31	5.78	-55.47
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020014012	0	60	0.0	-83.49	451.06	6.06	-77.43
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020014012	1	60	0.0	-83.47	451.12	6.07	-77.40
CC[NH+](CC)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020014013	0	47	0.0	-57.44	349.78	5.82	-51.62
CC[NH+](CC)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020014013	1	47	0.0	-57.44	349.84	5.82	-51.62
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020014016	0	53	0.0	-80.20	418.08	9.36	-70.84
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020014016	1	53	0.0	-80.24	418.14	9.37	-70.87
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014017	0	53	0.0	-56.85	424.37	10.05	-46.80
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014017	1	53	0.0	-56.80	424.44	10.06	-46.74
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CC2=CC=CC=C2C1	REAL300020014029	0	48	0.0	-69.30	363.79	5.92	-63.38
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CC2=CC=CC=C2C1	REAL300020014029	1	48	0.0	-69.34	363.85	5.94	-63.40
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC2=CC=CC=C2C1	REAL300020014030	0	48	0.0	-59.93	374.11	6.16	-53.77
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2=CC=CC=C2C1	REAL300020014030	1	48	0.0	-59.92	374.18	6.17	-53.75
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C[NH+]1CCOCC1	REAL300020014032	1	45	0.0	-62.12	357.66	2.59	-59.53
CC1C[N@H+](C)CCC1N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014035	0	44	0.0	-62.60	332.18	6.02	-56.58
CC1C[N@@H+](C)CCC1N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014035	1	44	0.0	-63.28	341.31	6.13	-57.15
CC1C[N@H+](C)CCC1N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014035	1	44	0.0	-62.60	332.24	6.02	-56.58
CC1C[N@@H+](C)CCC1N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014035	1	44	0.0	-63.27	341.38	6.15	-57.12
CC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020014041	0	54	0.0	-60.21	379.86	8.70	-51.51
CC1CC(N(C)C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020014041	1	54	0.0	-71.03	400.11	8.51	-62.52
CC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020014041	1	54	0.0	-60.21	379.92	8.72	-51.49
CC1CC(N(C)C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300020014041	1	54	0.0	-71.06	400.17	8.53	-62.53
CC1CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020014042	0	54	0.0	-61.95	407.97	8.91	-53.04
CC1CC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020014042	1	54	0.0	-60.81	414.68	9.22	-51.59
CC1CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020014042	1	54	0.0	-61.95	408.04	8.95	-53.00
CC1CC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020014042	1	54	0.0	-60.79	414.74	9.25	-51.54
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=N[N-]N=N1	REAL300020014167	0	51	0.0	-67.59	393.33	8.42	-59.17
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=N[N-]N=N1	REAL300020014167	1	51	0.0	-67.35	394.39	8.51	-58.84
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=NN=N[N-]1	REAL300020014167	1	51	0.0	-67.60	393.39	8.43	-59.17
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=NN=N[N-]1	REAL300020014167	1	51	0.0	-67.39	394.45	8.53	-58.86
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014168	0	51	0.0	-61.37	401.15	8.82	-52.55
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014168	1	51	0.0	-61.35	402.12	8.88	-52.47
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014168	1	51	0.0	-61.41	401.21	8.82	-52.59
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014168	1	51	0.0	-61.33	402.18	8.90	-52.43
CSC1CN(C(=O)CCCC2=N[N-]N=N2)CC1[NH+]1CCCC1	REAL300020017538	0	46	0.0	-67.76	366.83	6.18	-61.58
CSC1CN(C(=O)CCCC2=NN=N[N-]2)CC1[NH+]1CCCC1	REAL300020017538	1	46	0.0	-67.76	366.89	6.20	-61.56
CSC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1[NH+]1CCCC1	REAL300020017539	0	46	0.0	-50.68	366.61	6.27	-44.41
CSC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1[NH+]1CCCC1	REAL300020017539	1	46	0.0	-53.77	367.13	6.22	-47.55
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL300020017564	0	48	0.0	-71.29	379.80	6.38	-64.91
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL300020017564	1	48	0.0	-72.67	377.11	6.85	-65.82
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL300020017564	1	48	0.0	-71.28	379.86	6.39	-64.89
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL300020017564	1	48	0.0	-72.70	377.16	6.87	-65.83
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017565	0	48	0.0	-61.41	387.57	6.61	-54.80
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017565	1	48	0.0	-61.03	392.21	6.36	-54.67
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017565	1	48	0.0	-61.37	387.50	6.60	-54.77
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017565	1	48	0.0	-61.03	392.14	6.34	-54.69
CCCN(CC[NH+](CC)CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017656	0	49	0.0	-57.06	378.34	7.61	-49.45
CCCN(CC[NH+](CC)CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017656	1	49	0.0	-56.99	378.41	7.61	-49.38
C[NH+](C)CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300020017660	0	47	0.0	-61.24	355.97	4.94	-56.30
C[NH+](C)CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300020017660	1	47	0.0	-61.22	356.04	4.94	-56.28
CN1CC[NH+](CC2(C)CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300020017673	0	56	0.0	-74.61	397.14	5.05	-69.56
CN1CC[NH+](CC2(C)CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300020017673	1	56	0.0	-74.67	397.20	5.07	-69.60
CN1CC[NH+](CC2(C)CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300020017674	0	56	0.0	-58.80	405.09	5.26	-53.54
CN1CC[NH+](CC2(C)CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300020017674	1	56	0.0	-58.76	405.16	5.28	-53.48
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020017688	0	51	0.0	-73.19	382.74	8.34	-64.85
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020017688	1	51	0.0	-71.38	387.29	8.11	-63.27
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020017688	1	51	0.0	-73.20	382.80	8.35	-64.85
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300020017688	1	51	0.0	-71.40	387.34	8.12	-63.28
CCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020017689	1	51	0.0	-57.08	394.52	8.34	-48.74
CCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020017689	1	51	0.0	-59.35	390.08	8.59	-50.76
CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(N2CCCC2)=[NH+]1	REAL300020017735	1	47	0.0	-51.50	375.81	4.99	-46.51
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCC[N@@H+](C2CCC2)C1	REAL300020017763	0	51	0.0	-70.05	383.71	6.42	-63.63
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCC[N@H+](C2CCC2)C1	REAL300020017763	1	51	0.0	-64.35	376.70	6.41	-57.94
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCC[N@@H+](C2CCC2)C1	REAL300020017763	1	51	0.0	-70.09	383.77	6.44	-63.65
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCC[N@H+](C2CCC2)C1	REAL300020017763	1	51	0.0	-64.34	376.76	6.42	-57.92
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC[N@@H+](C2CCC2)C1	REAL300020017764	0	51	0.0	-58.83	389.29	5.94	-52.89
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC[N@H+](C2CCC2)C1	REAL300020017764	1	51	0.0	-58.96	388.67	5.94	-53.02
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC[N@@H+](C2CCC2)C1	REAL300020017764	1	51	0.0	-58.78	389.36	5.94	-52.84
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC[N@H+](C2CCC2)C1	REAL300020017764	1	51	0.0	-58.92	388.74	5.96	-52.96
CC(C)(O)C[N@@H+]1CCC2=C(C=CC=C2NC(=O)CCCC2=N[N-]N=N2)C1	REAL300020017796	0	52	0.0	-78.55	396.28	5.14	-73.41
CC(C)(O)C[N@H+]1CCC2=C(C=CC=C2NC(=O)CCCC2=N[N-]N=N2)C1	REAL300020017796	1	52	0.0	-79.68	390.60	5.10	-74.58
CC(C)(O)C[N@@H+]1CCC2=C(C=CC=C2NC(=O)CCCC2=NN=N[N-]2)C1	REAL300020017796	1	52	0.0	-78.59	396.34	5.15	-73.44
CC(C)(O)C[N@H+]1CCC2=C(C=CC=C2NC(=O)CCCC2=NN=N[N-]2)C1	REAL300020017796	1	52	0.0	-79.73	390.66	5.12	-74.61
CC(C)(O)C[N@@H+]1CCC2=C(C=CC=C2NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017797	0	52	0.0	-63.27	406.93	4.95	-58.32
CC(C)(O)C[N@H+]1CCC2=C(C=CC=C2NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017797	1	52	0.0	-63.80	405.86	4.91	-58.89
C[NH+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020017814	0	41	0.0	-63.25	327.33	4.93	-58.32
C[NH+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017814	1	41	0.0	-63.20	327.40	4.93	-58.27
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300020017821	0	49	0.0	-66.90	388.49	3.44	-63.46
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300020017821	1	49	0.0	-65.72	384.71	4.04	-61.68
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300020017821	1	49	0.0	-66.93	388.55	3.46	-63.47
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300020017821	1	49	0.0	-65.72	384.77	4.05	-61.67
O=C(NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017822	0	49	0.0	-55.63	399.14	3.24	-52.39
O=C(NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017822	1	49	0.0	-50.62	395.35	3.86	-46.76
CC(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCCCC1	REAL300020017833	0	47	0.0	-56.33	360.68	4.55	-51.78
CC(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+]1CCCCC1	REAL300020017833	1	47	0.0	-56.35	360.61	4.53	-51.82
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C[N@H+]1CCCC1CO	REAL300020017845	0	52	0.0	-61.91	404.11	4.21	-57.70
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C[N@@H+]1CCCC1CO	REAL300020017845	1	52	0.0	-61.68	393.64	4.74	-56.94
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C[N@H+]1CCCC1CO	REAL300020017845	1	52	0.0	-61.92	404.16	4.22	-57.70
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C[N@@H+]1CCCC1CO	REAL300020017845	1	52	0.0	-61.69	393.70	4.76	-56.93
O=C(NCC1=CC=CC=C1C[N@H+]1CCCC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017846	0	52	0.0	-50.51	407.79	4.03	-46.48
O=C(NCC1=CC=CC=C1C[N@@H+]1CCCC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017846	1	52	0.0	-46.72	404.41	4.54	-42.18
O=C(CCCC1=N[N-]N=N1)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1	REAL300020017860	0	52	0.0	-67.79	366.99	8.11	-59.68
O=C(CCCC1=N[N-]N=N1)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1	REAL300020017860	1	52	0.0	-67.71	377.76	8.86	-58.85
O=C(CCCC1=NN=N[N-]1)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1	REAL300020017860	1	52	0.0	-67.81	367.05	8.13	-59.68
O=C(CCCC1=NN=N[N-]1)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1	REAL300020017860	1	52	0.0	-67.75	377.82	8.87	-58.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1	REAL300020017861	0	52	0.0	-55.43	374.61	8.86	-46.57
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1	REAL300020017861	1	52	0.0	-57.42	392.75	8.70	-48.72
CC[NH+](CC)CCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020017868	0	56	0.0	-73.68	411.05	8.34	-65.34
CC[NH+](CC)CCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020017868	1	56	0.0	-73.66	411.10	8.35	-65.31
CC[NH+](CC)CCCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020017869	0	56	0.0	-58.87	413.83	8.26	-50.61
CC[NH+](CC)CCCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020017869	1	56	0.0	-58.87	413.89	8.26	-50.61
CC(C)[N@@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)=N2	REAL300020017876	1	44	0.0	-63.15	367.33	5.33	-57.82
CC(C)[N@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)=N2	REAL300020017876	1	44	0.0	-63.10	367.33	5.32	-57.78
CC(C)[N@@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)=N2	REAL300020017876	1	44	0.0	-63.08	367.39	5.34	-57.74
CC(C)[N@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)=N2	REAL300020017876	1	44	0.0	-63.03	367.39	5.32	-57.71
CC[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)CCC(F)(F)F	REAL300020017902	0	43	0.0	-75.61	352.48	4.21	-71.40
CC[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)CCC(F)(F)F	REAL300020017902	1	43	0.0	-75.37	347.97	3.95	-71.42
CC[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CCC(F)(F)F	REAL300020017902	1	43	0.0	-75.63	352.54	4.23	-71.40
CC[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CCC(F)(F)F	REAL300020017902	1	43	0.0	-75.40	348.03	3.96	-71.44
CC[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CCC(F)(F)F	REAL300020017903	0	43	0.0	-65.75	363.07	4.02	-61.73
CC[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CCC(F)(F)F	REAL300020017903	1	43	0.0	-66.13	363.05	4.04	-62.09
CC[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CCC(F)(F)F	REAL300020017903	1	43	0.0	-65.74	363.14	4.02	-61.72
CC[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CCC(F)(F)F	REAL300020017903	1	43	0.0	-66.05	363.12	4.04	-62.01
O=C(CCCC1=N[N-]N=N1)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300020017929	0	49	0.0	-73.69	385.68	6.55	-67.14
O=C(CCCC1=N[N-]N=N1)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300020017929	1	49	0.0	-74.73	385.88	6.59	-68.14
O=C(CCCC1=NN=N[N-]1)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300020017929	1	49	0.0	-73.74	385.74	6.57	-67.17
O=C(CCCC1=NN=N[N-]1)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300020017929	1	49	0.0	-74.76	385.94	6.60	-68.16
O=C(NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017930	1	49	0.0	-60.30	398.43	7.23	-53.07
O=C(NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017930	1	49	0.0	-60.39	398.40	7.26	-53.13
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(N2CC[NH+](C(C)C)CC2)=C1	REAL300020017971	0	56	0.0	-75.25	421.28	6.29	-68.96
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(N2CC[NH+](C(C)C)CC2)=C1	REAL300020017971	1	56	0.0	-75.26	421.33	6.30	-68.96
CC1C[N@H+](CCCNC(=O)CCCC2=N[N-]N=N2)CCCO1	REAL300020017982	0	48	0.0	-73.17	364.90	3.93	-69.24
CC1C[N@@H+](CCCNC(=O)CCCC2=N[N-]N=N2)CCCO1	REAL300020017982	1	48	0.0	-71.64	365.78	3.49	-68.15
CC1C[N@H+](CCCNC(=O)CCCC2=NN=N[N-]2)CCCO1	REAL300020017982	1	48	0.0	-73.17	364.96	3.95	-69.22
CC1C[N@@H+](CCCNC(=O)CCCC2=NN=N[N-]2)CCCO1	REAL300020017982	1	48	0.0	-71.65	365.83	3.51	-68.14
CC1C[N@H+](CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCO1	REAL300020017983	0	48	0.0	-62.04	375.49	3.74	-58.30
CC1C[N@@H+](CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCO1	REAL300020017983	1	48	0.0	-61.42	376.38	3.30	-58.12
CC1C[N@H+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCO1	REAL300020017983	1	48	0.0	-62.01	375.55	3.74	-58.27
CC1C[N@@H+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCO1	REAL300020017983	1	48	0.0	-61.39	376.45	3.30	-58.09
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL300020018005	0	51	0.0	-77.06	397.94	6.88	-70.18
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL300020018005	1	51	0.0	-77.09	398.00	6.89	-70.20
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020018006	0	51	0.0	-55.57	410.27	7.80	-47.77
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020018006	1	51	0.0	-55.55	410.34	7.80	-47.75
C[NH+](C)C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020018013	0	44	0.0	-56.16	329.91	6.13	-50.03
C[NH+](C)C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020018013	1	44	0.0	-56.16	329.98	6.13	-50.03
O=C(CCCC1=N[N-]N=N1)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300020018030	0	52	0.0	-72.21	401.19	5.75	-66.46
O=C(CCCC1=N[N-]N=N1)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300020018030	1	52	0.0	-72.37	401.47	5.67	-66.70
O=C(CCCC1=NN=N[N-]1)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300020018030	1	52	0.0	-72.23	401.25	5.76	-66.47
O=C(CCCC1=NN=N[N-]1)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300020018030	1	52	0.0	-72.39	401.53	5.68	-66.71
O=C(NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020018031	0	52	0.0	-62.68	411.85	5.54	-57.14
O=C(NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020018031	1	52	0.0	-62.63	412.13	5.46	-57.17
O=C(NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020018031	1	52	0.0	-62.67	411.78	5.53	-57.14
O=C(NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020018031	1	52	0.0	-62.72	412.06	5.46	-57.26
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020018063	0	48	0.0	-69.30	356.10	3.52	-65.78
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020018063	1	48	0.0	-71.65	356.11	3.53	-68.12
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020018063	1	48	0.0	-69.29	356.16	3.54	-65.75
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020018063	1	48	0.0	-71.64	356.17	3.54	-68.10
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020018064	1	48	0.0	-58.67	361.64	3.76	-54.91
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020018064	1	48	0.0	-56.93	362.08	3.58	-53.35
O=C(N[C@@H]1COC[C@H]1[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020044822	0	43	0.0	-58.91	346.17	2.09	-56.82
C[NH+](C)CCN1C=NC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL300020044844	0	47	0.0	-79.31	381.27	6.90	-72.41
C[NH+](C)CCN1C=NC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL300020044844	1	47	0.0	-79.33	381.33	6.91	-72.42
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C21	REAL300020044845	0	47	0.0	-74.19	392.20	6.68	-67.51
C[NH+](C)CCN1C=NC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C21	REAL300020044845	1	47	0.0	-74.24	392.13	6.68	-67.56
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020044848	0	57	0.0	-73.54	442.64	7.83	-65.71
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020044848	1	57	0.0	-77.88	444.11	7.46	-70.42
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020044848	1	57	0.0	-73.51	442.69	7.84	-65.67
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020044848	1	57	0.0	-77.88	444.17	7.47	-70.41
CN(C(=O)CCCC1=N[N-]N=N1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300020044863	0	51	0.0	-65.79	383.75	8.64	-57.15
CN(C(=O)CCCC1=NN=N[N-]1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300020044863	1	51	0.0	-65.80	383.81	8.65	-57.15
C[NH+]1CCC(C2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300020044869	0	48	0.0	-77.06	373.69	6.98	-70.08
C[NH+]1CCC(C2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300020044869	1	48	0.0	-77.07	373.75	6.99	-70.08
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300020044870	0	48	0.0	-62.79	384.07	6.79	-56.00
C[NH+]1CCC(C2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300020044870	1	48	0.0	-62.76	384.00	6.78	-55.98
CC(C)(CC[NH+]1CCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020044871	0	47	0.0	-61.56	361.72	4.53	-57.03
CC(C)(CC[NH+]1CCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020044871	1	47	0.0	-61.57	361.79	4.53	-57.04
C[NH+](C)CCN(CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020044928	0	41	0.0	-56.90	332.42	2.23	-54.67
C[NH+](C)CCN(CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020044928	1	41	0.0	-56.89	332.49	2.25	-54.64
CN(C(=O)CCCC1=NN=N[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020045008	0	44	0.0	-74.35	345.97	3.74	-70.61
CN(C(=O)CCCC1=N[N-]N=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020045008	1	44	0.0	-74.32	345.91	3.73	-70.59
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020045009	0	44	0.0	-58.87	352.12	4.09	-54.78
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020045009	1	44	0.0	-58.96	352.05	4.06	-54.90
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020045051	0	47	0.0	-54.39	353.64	4.71	-49.68
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020045051	1	47	0.0	-54.34	353.63	4.71	-49.63
CC(C)(C)[N@@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020045051	1	47	0.0	-54.35	353.71	4.71	-49.64
CC(C)(C)[N@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020045051	1	47	0.0	-54.37	353.70	4.71	-49.66
C[NH+](C)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020045147	0	44	0.0	-60.42	346.83	5.91	-54.51
C[NH+](C)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020045147	1	44	0.0	-60.44	346.89	5.93	-54.51
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020045148	0	44	0.0	-55.31	360.73	6.04	-49.27
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020045148	1	44	0.0	-55.32	360.80	6.05	-49.27
CN(C)C1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=[NH+]1	REAL300020045163	1	43	0.0	-64.17	351.49	4.43	-59.74
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=[NH+]1	REAL300020045164	1	43	0.0	-54.09	360.96	4.23	-49.86
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCCC2	REAL300020045165	0	45	0.0	-54.99	347.66	4.25	-50.74
C[N@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCCC2	REAL300020045165	1	45	0.0	-54.99	347.18	4.20	-50.79
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCCC2	REAL300020045165	1	45	0.0	-55.02	347.59	4.24	-50.78
C[N@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCCC2	REAL300020045165	1	45	0.0	-55.04	347.12	4.20	-50.84
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020051122	0	47	0.0	-81.35	363.09	5.72	-75.63
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020051122	1	47	0.0	-81.36	363.15	5.71	-75.65
CC[NH+]1CCN(C2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)CC1	REAL300020051157	0	53	0.0	-76.45	396.54	4.47	-71.98
CC[NH+]1CCN(C2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)CC1	REAL300020051157	1	53	0.0	-76.42	396.60	4.46	-71.96
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC(N2CC[NH+](C(C)C)CC2)=C1	REAL300020054469	0	54	0.0	-63.30	417.02	2.42	-60.88
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC(N2CC[NH+](C(C)C)CC2)=C1	REAL300020054469	1	54	0.0	-63.26	417.08	2.45	-60.81
CC[NH+](CC)CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020054490	0	45	0.0	-60.35	356.97	2.43	-57.92
CC[NH+](CC)CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020054490	1	45	0.0	-60.35	357.03	2.45	-57.90
C[NH+](C)CCC1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054519	0	42	0.0	-62.20	344.73	2.41	-59.79
C[NH+](C)CCC1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054519	1	42	0.0	-62.17	344.79	2.42	-59.75
CC[NH+]1CCN(C2=CC=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=C2)CC1	REAL300020054535	0	48	0.0	-59.07	378.58	1.27	-57.80
CC[NH+]1CCN(C2=CC=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=C2)CC1	REAL300020054535	1	48	0.0	-59.09	378.64	1.28	-57.81
C[NH+](C)CCCOC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020054559	0	46	0.0	-65.88	379.55	1.83	-64.05
C[NH+](C)CCCOC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020054559	1	46	0.0	-65.90	379.61	1.85	-64.05
C[NH+](C)CC1CCN(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300020054562	0	54	0.0	-64.76	416.98	2.72	-62.04
C[NH+](C)CC1CCN(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300020054562	1	54	0.0	-64.78	417.04	2.73	-62.05
C[NH+](C)CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1Cl	REAL300020054638	1	39	0.0	-60.65	341.28	1.92	-58.73
C[NH+](C)CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1Cl	REAL300020054638	1	39	0.0	-60.67	341.33	1.94	-58.73
C[NH+]1CCC(N2C=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=N2)CC1	REAL300020054643	0	43	0.0	-69.82	351.28	1.30	-68.52
C[NH+]1CCC(N2C=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=N2)CC1	REAL300020054643	1	43	0.0	-69.83	351.22	1.29	-68.54
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)C(=O)NCC2=N[N-]N=N2)CC1	REAL300020054824	0	47	0.0	-68.16	396.31	2.82	-65.34
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)C(=O)NCC2=NN=N[N-]2)CC1	REAL300020054824	1	47	0.0	-68.20	396.37	2.83	-65.37
CC[NH+](CC)CC(=O)NC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054931	0	49	0.0	-58.70	392.25	1.03	-57.67
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1OCC[NH+](C)C	REAL300020054956	0	46	0.0	-61.28	377.03	1.93	-59.35
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1OCC[NH+](C)C	REAL300020054956	1	46	0.0	-61.24	377.09	1.94	-59.30
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1C[NH+](C)C	REAL300020054972	0	42	0.0	-63.10	343.57	2.03	-61.07
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1C[NH+](C)C	REAL300020054972	1	42	0.0	-63.10	343.62	2.06	-61.04
C[NH+](C)CCOC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1F	REAL300020054973	0	43	0.0	-59.42	363.20	1.25	-58.17
C[NH+](C)CCOC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1F	REAL300020054973	1	43	0.0	-59.46	363.25	1.27	-58.19
COC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1OCC[NH+](C)C	REAL300020055057	0	47	0.0	-62.55	386.50	1.06	-61.49
COC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1OCC[NH+](C)C	REAL300020055057	1	47	0.0	-62.59	386.56	1.08	-61.51
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(SCC[NH+]2CCCCC2)C=C1	REAL300020055089	0	50	0.0	-66.29	409.81	4.55	-61.74
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(SCC[NH+]2CCCCC2)C=C1	REAL300020055089	1	50	0.0	-66.26	409.87	4.56	-61.70
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300020055126	0	47	0.0	-65.92	394.32	3.87	-62.05
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300020055126	1	47	0.0	-65.87	394.37	3.89	-61.98
C[N@@H+]1CCOC(C2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)C1	REAL300020064102	1	42	0.0	-69.91	338.34	6.12	-63.79
C[N@H+]1CCOC(C2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)C1	REAL300020064102	1	42	0.0	-70.43	331.08	5.70	-64.73
C[N@@H+]1CCOC(C2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)C1	REAL300020064103	1	42	0.0	-71.38	331.58	5.63	-65.75
C[N@H+]1CCOC(C2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)C1	REAL300020064103	1	42	0.0	-70.77	338.83	6.04	-64.73
C[NH+]1CCN(CC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)CC1	REAL300020064110	0	46	0.0	-65.63	360.82	5.81	-59.82
CN1CC[NH+](CC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)CC1	REAL300020064110	1	46	0.0	-68.96	360.37	5.70	-63.26
O=C(NC1=NN=N[N-]1)C1=C(Br)C2=C(C[NH2+]C2)S1	REAL300020064171	1	24	0.0	-80.60	241.34	2.87	-77.73
C[NH2+]C(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1Cl	REAL300020064172	1	29	0.0	-58.92	267.54	4.87	-54.05
[NH3+][C@@H](CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)NC1=N[N-]N=N1	REAL300020064173	0	43	0.0	-60.84	360.20	5.88	-54.96
[NH3+][C@@H](CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)NC1=NN=N[N-]1	REAL300020064173	1	43	0.0	-60.96	360.11	5.90	-55.06
CCN1C=C(C(=O)NC2=N[N-]N=N2)C(=O)C2=CC(F)=C(N3CC[NH2+]CC3)C=C21	REAL300020064174	0	47	0.0	-99.69	376.73	5.34	-94.35
CCN1C=C(C(=O)NC2=NN=N[N-]2)C(=O)C2=CC(F)=C(N3CC[NH2+]CC3)C=C21	REAL300020064174	1	47	0.0	-99.82	376.63	5.36	-94.46
CN(C(=O)C1=C(Br)C2=C(C[NH2+]C2)S1)C1=NN=N[N-]1	REAL300020064176	1	27	0.0	-82.74	254.00	3.88	-78.86
C[NH2+]C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1Cl	REAL300020064177	1	32	0.0	-60.98	286.96	5.74	-55.24
CN(C(=O)[C@@H]([NH3+])CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020064178	0	46	0.0	-63.43	374.64	7.23	-56.20
CN(C(=O)[C@@H]([NH3+])CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020064178	1	46	0.0	-63.58	374.51	7.26	-56.32
CC1=C(C(=O)N(C)C2=N[N-]N=N2)SC(C2CC[NH2+]CC2)=N1	REAL300020064179	0	38	0.0	-79.15	308.69	4.17	-74.98
CC1=C(C(=O)N(C)C2=NN=N[N-]2)SC(C2CC[NH2+]CC2)=N1	REAL300020064179	1	38	0.0	-79.23	308.55	4.20	-75.03
O=C(OCC1=NN=N[N-]1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020067308	0	42	0.0	-54.45	336.78	8.03	-46.42
O=C(OCC1=NN=N[N-]1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020067308	1	42	0.0	-57.08	335.80	7.69	-49.39
O=C(OCC1=N[N-]N=N1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020067308	1	42	0.0	-54.45	336.72	8.01	-46.44
O=C(OCC1=N[N-]N=N1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020067308	1	42	0.0	-57.08	335.74	7.68	-49.40
CC(C)[NH+]1CCN(C2=CC=C(C(=O)OCC3=N[N-]N=N3)C=C2)CC1	REAL300020068165	0	46	0.0	-65.08	356.56	6.01	-59.07
CC(C)[NH+]1CCN(C2=CC=C(C(=O)OCC3=NN=N[N-]3)C=C2)CC1	REAL300020068165	1	46	0.0	-65.05	356.63	6.03	-59.02