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CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NC2=NN=N[N-]2)=C1	REAL300019634248	1	42	0.0	-53.28	318.26	7.87	-45.41
C[NH+](C)CC1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCCCC1	REAL300019645381	0	48	0.0	-69.09	348.25	6.72	-62.37
C[NH+](C)CC1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCCC1	REAL300019645381	1	48	0.0	-69.14	348.30	6.71	-62.43
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=C2)=N1	REAL300019645386	1	47	0.0	-74.19	397.47	6.83	-67.36
C[N@H+](CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCCC1	REAL300019645390	0	48	0.0	-72.56	365.13	6.89	-65.67
C[N@@H+](CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CCCCC1	REAL300019645390	1	48	0.0	-73.76	364.86	6.90	-66.86
C[N@H+](CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCCC1	REAL300019645390	1	48	0.0	-72.50	365.20	6.89	-65.61
C[N@@H+](CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCCC1	REAL300019645390	1	48	0.0	-73.67	364.93	6.90	-66.77
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647204	0	55	0.0	-78.77	426.48	4.36	-74.41
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647204	1	55	0.0	-78.73	426.55	4.36	-74.37
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC[N@@H+]1C1CCCC1	REAL300019647280	1	43	0.0	-69.32	334.89	6.01	-63.31
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC[N@H+]1C1CCCC1	REAL300019647280	1	43	0.0	-71.00	337.14	6.08	-64.92
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019647344	0	49	0.0	-82.81	382.67	5.69	-77.12
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019647344	1	49	0.0	-73.46	379.46	5.75	-67.71
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019647344	1	49	0.0	-82.84	382.60	5.69	-77.15
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019647344	1	49	0.0	-73.50	379.40	5.76	-67.74
CC(C)[N@@H+]1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(C2=CN(C)N=C2)C1	REAL300019647345	0	55	0.0	-80.63	407.46	6.54	-74.09
CC(C)[N@H+]1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(C2=CN(C)N=C2)C1	REAL300019647345	1	55	0.0	-78.58	410.27	6.51	-72.07
CC(C)[N@@H+]1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(C2=CN(C)N=C2)C1	REAL300019647345	1	55	0.0	-80.65	407.40	6.55	-74.10
CC(C)[N@H+]1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(C2=CN(C)N=C2)C1	REAL300019647345	1	55	0.0	-78.56	410.21	6.52	-72.04
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019647364	0	43	0.0	-77.76	353.61	5.49	-72.27
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647419	1	40	0.0	-64.70	332.20	6.05	-58.65
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1C[NH+](C2CCOC2)C1	REAL300019647421	1	41	0.0	-68.69	332.22	3.50	-65.19
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CCC[NH+](CCC1)C2	REAL300019647425	0	43	0.0	-70.28	324.29	5.49	-64.79
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C12CCC[NH+](CCC1)C2	REAL300019647425	1	43	0.0	-70.30	324.22	5.49	-64.81
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1C[NH+](C2CCOCC2)C1	REAL300019647433	0	44	0.0	-76.96	349.71	4.26	-72.70
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647441	1	45	0.0	-69.18	365.94	7.74	-61.44
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647441	1	45	0.0	-71.31	365.93	7.73	-63.58
COCCOCC[N@H+](C)CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647442	0	49	0.0	-72.19	394.63	3.92	-68.27
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647442	1	49	0.0	-74.25	394.64	3.94	-70.31
COCCOCC[N@H+](C)CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647442	1	49	0.0	-72.14	394.70	3.92	-68.22
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647442	1	49	0.0	-74.28	394.70	3.94	-70.34
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647465	1	40	0.0	-65.85	314.33	1.46	-64.39
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647465	1	40	0.0	-64.07	313.90	1.60	-62.47
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC2CCCC[N@@H+]21	REAL300019647466	0	43	0.0	-68.20	328.32	5.80	-62.40
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC2CCCC[N@H+]21	REAL300019647466	1	43	0.0	-63.22	334.47	6.25	-56.97
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647519	0	55	0.0	-83.57	433.07	9.84	-73.73
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647519	1	55	0.0	-82.67	432.99	9.83	-72.84
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647519	1	55	0.0	-83.58	433.01	9.85	-73.73
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647519	1	55	0.0	-82.74	432.93	9.82	-72.92
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCC2CCC[N@@H+]21	REAL300019647599	0	43	0.0	-60.50	331.05	6.12	-54.38
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCCC2CCC[N@H+]21	REAL300019647599	1	43	0.0	-65.54	322.93	5.85	-59.69
CC1C[N@H+](C)CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019647601	1	40	0.0	-83.81	325.68	4.40	-79.41
CC1C[N@@H+](C)CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019647601	1	40	0.0	-88.72	318.15	3.97	-84.75
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647604	0	42	0.0	-76.17	330.32	5.65	-70.52
C[N@H+]1CCCC1CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647604	1	42	0.0	-70.21	328.12	5.34	-64.87
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647604	1	42	0.0	-76.13	330.38	5.65	-70.48
C[N@H+]1CCCC1CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647604	1	42	0.0	-70.25	328.19	5.33	-64.92
C[N@H+](CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)CC(C)(C)C	REAL300019647623	0	44	0.0	-68.75	334.40	5.69	-63.06
C[N@@H+](CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)CC(C)(C)C	REAL300019647623	1	44	0.0	-63.88	336.54	5.87	-58.01
CC(C)(C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)[NH+]1CCCCC1	REAL300019647704	0	45	0.0	-70.86	336.01	6.19	-64.67
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CCC([NH+]2CCOCC2)CC1	REAL300019647723	0	50	0.0	-69.22	371.78	5.42	-63.80
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647727	0	46	0.0	-68.53	347.51	4.37	-64.16
CN1CC[N@H+](C)CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019647728	0	44	0.0	-63.94	337.27	3.45	-60.49
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019647728	1	44	0.0	-66.23	337.07	3.44	-62.79
CN1CC[N@H+](C)CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019647728	1	44	0.0	-63.95	337.20	3.46	-60.49
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019647728	1	44	0.0	-66.22	337.01	3.45	-62.77
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019663216	0	42	0.0	-76.77	351.05	4.80	-71.97
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019663216	1	42	0.0	-76.77	351.01	4.82	-71.95
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019663235	0	49	0.0	-70.63	386.43	8.65	-61.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019663235	1	49	0.0	-70.65	386.47	8.65	-62.00
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019663342	0	42	0.0	-80.68	351.44	4.82	-75.86
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019663342	1	42	0.0	-80.63	351.39	4.84	-75.79
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663343	0	42	0.0	-62.18	346.16	4.79	-57.39
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663343	1	42	0.0	-62.17	346.13	4.80	-57.37
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@@H+]1C	REAL300019663350	0	42	0.0	-71.59	323.25	4.96	-66.63
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@H+]1C	REAL300019663350	1	42	0.0	-69.26	326.93	5.55	-63.71
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[N@@H+]1C	REAL300019663350	1	42	0.0	-71.55	323.20	4.96	-66.59
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[N@H+]1C	REAL300019663350	1	42	0.0	-69.22	326.88	5.56	-63.66
C[N@@H+]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[C@@H]1C1=CC=CC=C1	REAL300019663413	0	46	0.0	-73.77	346.72	7.04	-66.73
C[N@H+]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[C@@H]1C1=CC=CC=C1	REAL300019663413	1	46	0.0	-75.40	364.59	7.65	-67.75
C[N@@H+]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)[C@@H]1C1=CC=CC=C1	REAL300019663413	1	46	0.0	-73.69	346.73	7.06	-66.63
C[N@H+]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)[C@@H]1C1=CC=CC=C1	REAL300019663413	1	46	0.0	-75.35	364.55	7.65	-67.70
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019663414	0	42	0.0	-70.84	341.45	3.76	-67.08
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019663414	1	42	0.0	-71.03	341.14	3.78	-67.25
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663463	1	42	0.0	-67.46	312.25	4.44	-63.02
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663463	1	42	0.0	-66.51	328.19	5.00	-61.51
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL300019663480	1	43	0.0	-75.42	352.52	4.38	-71.04
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL300019663480	1	43	0.0	-75.29	352.97	4.37	-70.92
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300019663520	0	49	0.0	-71.32	404.24	6.01	-65.31
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300019663520	1	49	0.0	-71.30	404.29	6.02	-65.28
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663561	1	43	0.0	-64.84	352.72	6.51	-58.33
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663570	0	55	0.0	-73.23	426.47	4.37	-68.86
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663570	1	55	0.0	-73.27	426.52	4.37	-68.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@@H+]1C1CCCC1	REAL300019663646	1	43	0.0	-70.43	339.17	6.27	-64.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@H+]1C1CCCC1	REAL300019663646	1	43	0.0	-69.11	331.10	5.73	-63.38
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019663711	0	49	0.0	-79.26	373.24	5.46	-73.80
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019663711	1	49	0.0	-81.16	390.70	6.13	-75.03
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019663711	1	49	0.0	-79.25	373.20	5.45	-73.80
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019663711	1	49	0.0	-80.86	390.99	6.12	-74.74
CC(C)[N@@H+]1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C2=CN(C)N=C2)C1	REAL300019663712	0	55	0.0	-77.96	425.38	7.30	-70.66
CC(C)[N@H+]1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C2=CN(C)N=C2)C1	REAL300019663712	1	55	0.0	-78.60	424.88	7.29	-71.31
CC(C)[N@@H+]1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C2=CN(C)N=C2)C1	REAL300019663712	1	55	0.0	-77.98	425.33	7.31	-70.67
CC(C)[N@H+]1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C2=CN(C)N=C2)C1	REAL300019663712	1	55	0.0	-78.55	424.83	7.30	-71.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019663731	0	43	0.0	-71.83	354.05	5.51	-66.32
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663786	1	40	0.0	-64.88	332.24	6.03	-58.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH+](C2CCOC2)C1	REAL300019663788	1	41	0.0	-77.84	333.13	3.68	-74.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CCC[NH+](CCC1)C2	REAL300019663792	0	43	0.0	-69.81	323.88	5.51	-64.30
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CCC[NH+](CCC1)C2	REAL300019663792	1	43	0.0	-69.82	324.14	5.49	-64.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH+](C2CCOCC2)C1	REAL300019663800	0	44	0.0	-75.63	350.26	4.28	-71.35
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C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663808	1	45	0.0	-74.41	365.89	7.74	-66.67
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663809	0	49	0.0	-72.22	394.85	3.92	-68.30
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663809	1	49	0.0	-73.24	394.89	3.93	-69.31
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663809	1	49	0.0	-72.26	394.90	3.92	-68.34
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663809	1	49	0.0	-73.25	394.94	3.93	-69.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2CCCC[N@@H+]21	REAL300019663833	0	43	0.0	-66.28	327.19	5.81	-60.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2CCCC[N@H+]21	REAL300019663833	1	43	0.0	-66.61	327.21	5.81	-60.80
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663886	0	55	0.0	-77.56	433.11	9.91	-67.65
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663886	1	55	0.0	-78.26	433.34	9.83	-68.43
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663886	1	55	0.0	-77.57	433.06	9.93	-67.64
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663886	1	55	0.0	-78.24	433.30	9.84	-68.40
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2CCC[N@@H+]21	REAL300019663967	0	43	0.0	-62.48	331.03	6.14	-56.34
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2CCC[N@H+]21	REAL300019663967	1	43	0.0	-66.20	322.80	5.85	-60.35
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019663969	1	40	0.0	-82.27	325.01	4.41	-77.86
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019663969	1	40	0.0	-80.92	325.63	4.40	-76.52
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663972	0	42	0.0	-73.50	330.32	5.64	-67.86
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663972	1	42	0.0	-69.08	328.15	5.33	-63.75
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663972	1	42	0.0	-73.47	330.28	5.65	-67.82
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663972	1	42	0.0	-69.05	328.10	5.35	-63.70
C[N@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC(C)(C)C	REAL300019663991	0	44	0.0	-70.48	335.46	5.73	-64.75
C[N@@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC(C)(C)C	REAL300019663991	1	44	0.0	-70.91	336.02	5.88	-65.03
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+]1CCCCC1	REAL300019664085	0	45	0.0	-67.93	335.73	6.20	-61.73
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC([NH+]2CCOCC2)CC1	REAL300019664105	0	50	0.0	-75.66	378.74	5.58	-70.08
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664111	0	46	0.0	-67.91	347.45	4.37	-63.54
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664112	0	44	0.0	-69.05	339.25	3.51	-65.54
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664112	1	44	0.0	-69.33	335.54	2.83	-66.50
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019664112	1	44	0.0	-69.07	339.20	3.51	-65.56
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019664112	1	44	0.0	-69.33	335.49	2.84	-66.49
C[NH+](C)CCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666224	0	39	0.0	-75.27	333.32	5.25	-70.02
C[NH+](C)CCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666224	1	39	0.0	-75.22	333.36	5.25	-69.97
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019666228	1	41	0.0	-67.54	322.03	5.98	-61.56
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019666228	1	41	0.0	-68.60	330.42	5.90	-62.70
NC1=C(Br)C=[NH+]C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666248	1	32	0.0	-72.17	293.82	2.48	-69.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019666249	0	40	0.0	-82.18	326.64	3.00	-79.18
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CN21	REAL300019666256	0	37	0.0	-66.46	318.34	6.58	-59.88
CC[N@@H+]1CCOCC1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666270	1	43	0.0	-71.95	330.12	3.66	-68.29
CC[N@H+]1CCOCC1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666270	1	43	0.0	-74.78	334.58	3.79	-70.99
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019667259	0	48	0.0	-69.88	367.84	7.03	-62.85
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019667259	1	48	0.0	-68.68	367.43	7.02	-61.66
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019667259	1	48	0.0	-69.84	367.80	7.04	-62.80
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019667259	1	48	0.0	-68.74	367.64	7.00	-61.74
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019667260	0	42	0.0	-63.28	322.24	5.79	-57.49
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019667260	1	42	0.0	-63.09	322.67	5.80	-57.29
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019667260	1	42	0.0	-63.16	322.46	5.77	-57.39
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019667260	1	42	0.0	-63.04	322.63	5.81	-57.23
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019670223	0	49	0.0	-65.59	357.02	6.15	-59.44
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019670223	1	49	0.0	-66.44	357.95	6.15	-60.29
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019670223	1	49	0.0	-65.59	356.96	6.13	-59.46
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019670223	1	49	0.0	-66.45	357.89	6.13	-60.32
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019670293	1	56	0.0	-73.24	421.72	5.53	-67.71
C[NH+](C)CC1(C(=O)N2CCCC2C2=N[N-]N=N2)CCCCC1	REAL300019670911	0	48	0.0	-74.65	330.75	5.29	-69.36
C[NH+](C)CC1(C(=O)N2CCCC2C2=NN=N[N-]2)CCCCC1	REAL300019670911	1	48	0.0	-74.68	330.80	5.31	-69.37
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)=N1	REAL300019670916	1	47	0.0	-74.13	381.92	5.50	-68.63
C[N@H+](CCC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCCC1	REAL300019670920	0	48	0.0	-64.82	353.22	6.01	-58.81
C[N@@H+](CCC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCCC1	REAL300019670920	1	48	0.0	-64.85	353.31	6.00	-58.85
C[N@H+](CCC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCCC1	REAL300019670920	1	48	0.0	-64.86	353.27	6.03	-58.83
C[N@@H+](CCC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCCC1	REAL300019670920	1	48	0.0	-64.86	353.37	6.02	-58.84
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672217	0	43	0.0	-72.43	339.20	4.15	-68.28
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672217	1	43	0.0	-72.42	339.26	4.17	-68.25
O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019672261	0	44	0.0	-68.84	337.70	3.37	-65.47
O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019672261	1	44	0.0	-68.85	337.64	3.34	-65.51
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672268	1	45	0.0	-60.63	354.01	6.84	-53.79
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672268	1	45	0.0	-60.52	354.02	6.83	-53.69
COCCOCC[N@H+](C)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672269	0	49	0.0	-65.07	383.00	3.04	-62.03
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672269	1	49	0.0	-67.22	382.99	3.04	-64.18
COCCOCC[N@H+](C)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672269	1	49	0.0	-65.08	383.06	3.06	-62.02
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672269	1	49	0.0	-67.29	383.05	3.07	-64.22
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672461	1	48	0.0	-58.31	365.73	5.34	-52.97
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300019672461	1	48	0.0	-58.05	373.19	5.79	-52.26
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019672463	0	50	0.0	-76.02	362.22	4.36	-71.66
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019672463	1	50	0.0	-76.02	362.27	4.39	-71.63
O=C(NCC1=NN=N[N-]1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300019679216	1	42	0.0	-45.11	330.50	4.83	-40.28
O=C(NCC1=NN=N[N-]1)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300019679216	1	42	0.0	-45.12	330.44	4.83	-40.29
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3=NN=N[N-]3)CC2)=C1	REAL300019679236	0	47	0.0	-57.73	366.02	3.68	-54.05
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3=N[N-]N=N3)CC2)=C1	REAL300019679236	1	47	0.0	-57.69	365.96	3.66	-54.03
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1=NN=N[N-]1	REAL300019679237	0	44	0.0	-57.64	344.62	3.01	-54.63
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1=N[N-]N=N1	REAL300019679237	1	44	0.0	-57.59	344.56	3.00	-54.59
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NCC1=NN=N[N-]1	REAL300019679238	0	43	0.0	-57.37	342.37	2.43	-54.94
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NCC1=N[N-]N=N1	REAL300019679238	1	43	0.0	-57.36	342.31	2.41	-54.95
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC3=N[N-]N=N3)=C2)CC1	REAL300019679239	0	44	0.0	-58.86	348.53	2.57	-56.29
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC3=NN=N[N-]3)=C2)CC1	REAL300019679239	1	44	0.0	-58.89	348.59	2.58	-56.31
O=C(NCC1=NN=N[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300019679251	1	40	0.0	-56.01	325.90	3.70	-52.31
O=C(NCC1=NN=N[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300019679251	1	40	0.0	-56.04	325.95	3.70	-52.34
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300019679262	0	44	0.0	-61.51	348.53	2.58	-58.93
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300019679262	1	44	0.0	-61.50	348.58	2.59	-58.91
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NCC1=N[N-]N=N1	REAL300019679361	0	42	0.0	-59.15	336.90	4.87	-54.28
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CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC2=NN=N[N-]2)CC1	REAL300019679438	1	49	0.0	-62.07	378.58	2.77	-59.30
CC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1C(=O)NCC1=N[N-]N=N1	REAL300019679516	0	49	0.0	-61.71	404.70	1.01	-60.70
CC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1C(=O)NCC1=NN=N[N-]1	REAL300019679516	1	49	0.0	-61.71	404.76	1.03	-60.68
O=C(NCC1=NN=N[N-]1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019679557	0	43	0.0	-50.54	340.08	1.99	-48.55
O=C(NCC1=NN=N[N-]1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019679557	1	43	0.0	-48.93	336.45	1.64	-47.29
O=C(NCC1=N[N-]N=N1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019679557	1	43	0.0	-50.53	340.02	1.98	-48.55
O=C(NCC1=N[N-]N=N1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019679557	1	43	0.0	-48.94	336.39	1.62	-47.32
O=C(NCC1=NN=N[N-]1)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300019679652	1	43	0.0	-45.71	339.92	1.62	-44.09
CC1(C(=O)NCC2=N[N-]N=N2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019679765	0	45	0.0	-51.45	345.50	5.31	-46.14
CC1(C(=O)NCC2=NN=N[N-]2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019679765	1	45	0.0	-51.42	345.56	5.32	-46.10
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CC(C)C1=[NH+]C=CN1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689464	1	43	0.0	-60.59	358.25	6.16	-54.43
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C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689485	1	48	0.0	-69.14	391.74	7.86	-61.28
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689485	1	48	0.0	-69.15	391.74	7.87	-61.28
COCCOCC[N@H+](C)CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689486	0	52	0.0	-67.02	420.68	4.06	-62.96
COCCOCC[N@@H+](C)CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689486	1	52	0.0	-67.68	420.72	4.07	-63.61
COCCOCC[N@H+](C)CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689486	1	52	0.0	-67.01	420.74	4.06	-62.95
COCCOCC[N@@H+](C)CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689486	1	52	0.0	-67.71	420.78	4.06	-63.65
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689506	0	43	0.0	-65.28	340.90	1.51	-63.77
C[N@H+]1CC(O)CC1(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689506	1	43	0.0	-66.78	340.27	1.52	-65.26
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2CCCC[N@@H+]21	REAL300019689507	0	46	0.0	-60.87	353.39	5.91	-54.96
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2CCCC[N@H+]21	REAL300019689507	1	46	0.0	-59.24	360.50	6.37	-52.87
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2CCC[N@@H+]21	REAL300019689644	0	46	0.0	-60.58	348.76	5.98	-54.60
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC2CCC[N@H+]21	REAL300019689644	1	46	0.0	-58.37	357.17	6.25	-52.12
CC1C[N@H+](C)CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019689646	1	43	0.0	-67.37	344.08	4.46	-62.91
CC1C[N@@H+](C)CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019689646	1	43	0.0	-67.38	344.06	4.46	-62.92
C[N@@H+]1CCCC1CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689648	0	45	0.0	-66.28	359.93	5.94	-60.34
C[N@H+]1CCCC1CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689648	1	45	0.0	-64.91	354.50	5.47	-59.44
C[N@@H+]1CCCC1CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689648	1	45	0.0	-66.26	359.99	5.93	-60.33
C[N@H+]1CCCC1CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689648	1	45	0.0	-64.88	354.56	5.46	-59.42
C[N@H+](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CC(C)(C)C	REAL300019689668	0	47	0.0	-64.40	362.23	5.92	-58.48
C[N@@H+](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CC(C)(C)C	REAL300019689668	1	47	0.0	-64.38	362.74	6.00	-58.38
C=C(CC[NH+](C)C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689682	0	42	0.0	-65.52	346.49	5.29	-60.23
C=C(CC[NH+](C)C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689682	1	42	0.0	-65.48	346.56	5.29	-60.19
CC(C)(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+]1CCCCC1	REAL300019689756	0	48	0.0	-60.87	361.96	6.41	-54.46
C[NH+]1CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019689771	0	42	0.0	-67.93	337.13	5.09	-62.84
C[NH+]1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019689771	1	42	0.0	-67.89	337.20	5.09	-62.80
CCOC(=O)C1CCC[N@H+](CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019689777	1	51	0.0	-67.86	403.46	6.38	-61.48
CCOC(=O)C1CCC[N@@H+](CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019689777	1	51	0.0	-67.81	410.91	6.82	-60.99
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC([NH+]2CCOCC2)CC1	REAL300019689779	0	53	0.0	-63.37	397.80	5.54	-57.83
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689785	0	49	0.0	-63.90	373.42	4.52	-59.38
CN1CC[N@H+](C)CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019689786	0	47	0.0	-63.29	364.90	3.61	-59.68
CN1CC[N@@H+](C)CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019689786	1	47	0.0	-64.28	362.73	3.59	-60.69
CN1CC[N@H+](C)CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019689786	1	47	0.0	-63.28	364.84	3.62	-59.66
CN1CC[N@@H+](C)CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019689786	1	47	0.0	-64.37	362.67	3.59	-60.78
C[NH+](C)CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CCCCC1	REAL300019697281	0	49	0.0	-68.78	336.32	4.39	-64.39
C[NH+](C)CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CCCCC1	REAL300019697281	1	49	0.0	-68.76	336.38	4.42	-64.34
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300019697287	1	48	0.0	-71.86	391.96	4.18	-67.68
C[N@H+](CCC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300019697291	0	49	0.0	-70.84	360.19	4.64	-66.20
C[N@@H+](CCC(=O)N1CCOC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300019697291	1	49	0.0	-70.83	360.18	4.62	-66.21
C[N@H+](CCC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300019697291	1	49	0.0	-70.83	360.25	4.67	-66.16
C[N@@H+](CCC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300019697291	1	49	0.0	-70.83	360.23	4.64	-66.19
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019699252	0	50	0.0	-73.11	365.90	3.04	-70.07
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019699252	1	50	0.0	-73.59	365.42	3.06	-70.53
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019699252	1	50	0.0	-73.10	365.84	3.02	-70.08
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019699252	1	50	0.0	-73.60	365.36	3.03	-70.57
CC(C)[N@@H+]1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300019699253	0	56	0.0	-70.00	405.34	4.79	-65.21
CC(C)[N@H+]1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300019699253	1	56	0.0	-58.61	421.64	4.95	-53.66
CC(C)[N@@H+]1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300019699253	1	56	0.0	-69.98	405.28	4.77	-65.21
CC(C)[N@H+]1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300019699253	1	56	0.0	-58.63	421.58	4.94	-53.69
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699269	0	44	0.0	-67.82	349.87	2.91	-64.91
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699269	1	44	0.0	-67.84	349.93	2.93	-64.91
CC(C)C1=[NH+]C=CN1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699324	1	41	0.0	-61.39	327.45	3.70	-57.69
CC(C)C1=[NH+]C=CN1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699324	1	41	0.0	-61.35	327.50	3.73	-57.62
O=C(C1C[NH+](C2CCOC2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699326	1	42	0.0	-71.52	326.15	1.21	-70.31
O=C(N1CCOC(C2=N[N-]N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300019699330	0	44	0.0	-58.36	310.29	2.65	-55.71
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CCC[NH+](CCC1)C2	REAL300019699330	1	44	0.0	-58.31	310.34	2.68	-55.63
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C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699346	1	46	0.0	-69.87	360.99	5.43	-64.44
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COCCOCC[N@@H+](C)CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699347	1	50	0.0	-71.42	389.95	1.66	-69.76
COCCOCC[N@H+](C)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699347	1	50	0.0	-70.20	389.95	1.66	-68.54
COCCOCC[N@@H+](C)CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699347	1	50	0.0	-71.42	390.00	1.69	-69.73
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CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699420	0	59	0.0	-76.22	440.25	7.78	-68.44
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699420	1	59	0.0	-75.79	444.22	7.95	-67.84
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699420	1	59	0.0	-76.25	440.30	7.81	-68.44
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699420	1	59	0.0	-75.77	444.28	7.98	-67.79
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699427	0	56	0.0	-75.31	425.22	7.33	-67.98
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699427	1	56	0.0	-58.78	427.35	7.47	-51.31
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699427	1	56	0.0	-75.31	425.28	7.36	-67.95
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699427	1	56	0.0	-58.85	427.41	7.50	-51.35
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CC(C)(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019699617	0	46	0.0	-42.10	323.87	3.30	-38.80
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699633	1	49	0.0	-67.40	380.18	4.41	-62.99
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699633	1	49	0.0	-67.41	380.15	4.38	-63.03
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699635	0	51	0.0	-75.79	373.14	3.10	-72.69
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699635	1	51	0.0	-75.79	373.20	3.13	-72.66
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699641	0	47	0.0	-68.47	333.88	1.57	-66.90
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699641	1	47	0.0	-68.48	333.93	1.60	-66.88
CN1CC[N@H+](C)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699642	0	45	0.0	-64.26	328.02	0.88	-63.38
CN1CC[N@@H+](C)CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019699642	1	45	0.0	-54.83	331.98	0.89	-53.94
CN1CC[N@H+](C)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699642	1	45	0.0	-64.28	328.08	0.90	-63.38
CN1CC[N@@H+](C)CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019699642	1	45	0.0	-54.87	332.04	0.91	-53.96
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@@H+]1C1CCCC1	REAL300019710213	1	47	0.0	-69.40	369.72	5.82	-63.58
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@H+]1C1CCCC1	REAL300019710213	1	47	0.0	-68.33	362.36	5.31	-63.02
C[NH+](C)CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019710277	0	43	0.0	-69.85	346.56	4.57	-65.28
C[NH+](C)CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019710277	1	43	0.0	-69.87	346.62	4.59	-65.28
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019710278	0	53	0.0	-80.37	413.99	5.22	-75.15
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019710278	1	53	0.0	-79.64	421.58	5.66	-73.98
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019710278	1	53	0.0	-80.34	413.93	5.21	-75.13
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019710278	1	53	0.0	-79.64	421.52	5.65	-73.99
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019710296	0	47	0.0	-71.23	384.05	5.02	-66.21
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019710296	1	47	0.0	-71.18	384.11	5.04	-66.14
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710343	1	44	0.0	-64.30	362.88	5.58	-58.72
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710343	1	44	0.0	-64.29	362.94	5.60	-58.69
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1C[NH+](C2CCOC2)C1	REAL300019710344	1	45	0.0	-77.03	363.99	3.23	-73.80
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CCC[NH+](CCC1)C2	REAL300019710348	0	47	0.0	-69.16	354.46	5.04	-64.12
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CCC[NH+](CCC1)C2	REAL300019710348	1	47	0.0	-69.17	354.52	5.06	-64.11
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710355	1	40	0.0	-65.17	322.85	3.81	-61.36
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710355	1	40	0.0	-67.56	317.26	3.41	-64.15
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710356	1	40	0.0	-68.03	317.09	3.43	-64.60
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710356	1	40	0.0	-65.47	323.50	3.91	-61.56
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CC[NH+](CC1)C2	REAL300019710359	0	41	0.0	-71.58	328.45	3.40	-68.18
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC[NH+](CC1)C2	REAL300019710359	1	41	0.0	-71.59	328.51	3.42	-68.17
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1C[NH+](C2CCOCC2)C1	REAL300019710360	0	48	0.0	-74.25	380.75	3.81	-70.44
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1C[NH+](C2CCOCC2)C1	REAL300019710360	1	48	0.0	-74.22	380.81	3.83	-70.39
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710366	1	49	0.0	-73.22	396.15	7.32	-65.90
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710366	1	49	0.0	-73.70	396.15	7.30	-66.40
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710367	0	53	0.0	-71.53	425.40	3.46	-68.07
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710367	1	53	0.0	-72.70	425.41	3.48	-69.22
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710367	1	53	0.0	-71.55	425.46	3.48	-68.07
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710367	1	53	0.0	-72.66	425.47	3.49	-69.17
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710386	1	44	0.0	-73.20	345.27	0.91	-72.29
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710386	1	44	0.0	-74.71	343.45	1.02	-73.69
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2CCCC[N@@H+]21	REAL300019710387	0	47	0.0	-63.23	365.00	5.83	-57.40
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC2CCCC[N@H+]21	REAL300019710387	1	47	0.0	-65.72	357.98	5.35	-60.37
CC1=C[NH+]=CN1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710432	1	38	0.0	-68.56	325.73	5.18	-63.38
CC1=C[NH+]=CN1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710432	1	38	0.0	-68.56	325.67	5.17	-63.39
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC2CCC[N@@H+]21	REAL300019710509	0	47	0.0	-61.83	361.43	5.70	-56.13
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC2CCC[N@H+]21	REAL300019710509	1	47	0.0	-64.83	353.34	5.41	-59.42
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019710510	1	44	0.0	-79.28	348.60	3.95	-75.33
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019710510	1	44	0.0	-79.88	349.16	3.94	-75.94
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710512	0	46	0.0	-72.26	364.61	5.34	-66.92
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710512	1	46	0.0	-68.32	359.16	4.88	-63.44
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710512	1	46	0.0	-72.26	364.66	5.36	-66.90
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710512	1	46	0.0	-68.30	359.21	4.89	-63.41
C[N@H+](CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)CC(C)(C)C	REAL300019710530	0	48	0.0	-69.42	367.48	5.41	-64.01
C[N@@H+](CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)CC(C)(C)C	REAL300019710530	1	48	0.0	-69.08	366.96	5.40	-63.68
C[N@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)CC(C)(C)C	REAL300019710530	1	48	0.0	-69.40	367.54	5.42	-63.98
C[N@@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)CC(C)(C)C	REAL300019710530	1	48	0.0	-69.10	367.02	5.42	-63.68
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710543	0	43	0.0	-77.14	350.92	4.71	-72.43
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710543	1	43	0.0	-77.17	350.98	4.73	-72.44
CC(C)(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+]1CCCCC1	REAL300019710608	0	49	0.0	-67.33	366.50	5.75	-61.58
C[NH+]1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019710623	0	43	0.0	-73.85	341.58	4.50	-69.35
C[NH+]1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019710623	1	43	0.0	-73.84	341.63	4.51	-69.33
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC([NH+]2CCOCC2)CC1	REAL300019710631	0	54	0.0	-75.33	408.90	5.13	-70.20
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC([NH+]2CCOCC2)CC1	REAL300019710631	1	54	0.0	-75.32	408.96	5.14	-70.18
CC[C@@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL300019710635	0	42	0.0	-65.62	327.66	3.89	-61.73
CC[C@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL300019710637	0	42	0.0	-65.39	327.21	3.90	-61.49
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710641	0	50	0.0	-67.23	377.94	3.91	-63.32
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710641	1	50	0.0	-67.27	377.99	3.92	-63.35
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019710642	0	48	0.0	-67.91	369.74	3.05	-64.86
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019710642	1	48	0.0	-66.25	368.54	2.60	-63.65
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019710642	1	48	0.0	-67.91	369.80	3.06	-64.85
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019710642	1	48	0.0	-66.28	368.60	2.62	-63.66
C[NH+](C)CCSCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712522	0	43	0.0	-74.65	364.12	4.79	-69.86
C[NH+](C)CCSCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712522	1	43	0.0	-74.63	364.18	4.81	-69.82
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019712525	1	45	0.0	-67.32	347.98	5.51	-61.81
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019712525	1	45	0.0	-67.60	360.97	5.45	-62.15
NC1=C(Br)C=[NH+]C=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712546	1	36	0.0	-71.21	324.17	2.03	-69.18
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019712547	0	44	0.0	-81.28	357.14	2.54	-78.74
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019712547	1	44	0.0	-81.32	357.20	2.56	-78.76
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CN21	REAL300019712555	0	41	0.0	-65.41	348.60	6.15	-59.26
CC[N@@H+]1CCOCC1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712571	1	47	0.0	-70.94	360.99	3.18	-67.76
CC[N@H+]1CCOCC1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712571	1	47	0.0	-73.75	365.33	3.30	-70.45
CC[N@@H+]1CCOCC1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712571	1	47	0.0	-70.94	361.04	3.19	-67.75
CC[N@H+]1CCOCC1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712571	1	47	0.0	-73.76	365.39	3.32	-70.44
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713355	0	43	0.0	-69.13	346.78	4.58	-64.55
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713355	1	43	0.0	-69.16	346.84	4.60	-64.56
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019713366	0	49	0.0	-64.04	369.48	5.54	-58.50
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019713366	1	49	0.0	-64.05	369.54	5.55	-58.50
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713442	0	52	0.0	-63.45	389.31	6.73	-56.72
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713442	1	52	0.0	-63.00	392.01	6.75	-56.25
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713442	1	52	0.0	-63.45	389.31	6.73	-56.72
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713442	1	52	0.0	-63.00	392.01	6.75	-56.25
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713443	0	46	0.0	-62.36	353.23	5.35	-57.01
CC[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019713443	1	46	0.0	-62.38	353.21	5.36	-57.02
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713443	1	46	0.0	-62.36	353.23	5.35	-57.01
CC[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019713443	1	46	0.0	-62.38	353.21	5.36	-57.02
CC(C)CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=N[N-]N=N1	REAL300019718235	0	52	0.0	-68.11	395.56	6.48	-61.63
CC(C)CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=NN=N[N-]1	REAL300019718235	1	52	0.0	-68.11	395.62	6.50	-61.61
CC(C)CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019718241	0	51	0.0	-60.66	395.33	6.99	-53.67
CC(C)CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019718241	1	51	0.0	-59.51	396.75	7.08	-52.43
CC(C)CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019718241	1	51	0.0	-60.63	395.27	6.98	-53.65
CC(C)CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019718241	1	51	0.0	-59.47	396.70	7.06	-52.41
CC(C)CC(NC(=O)C1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300019718256	0	50	0.0	-63.71	366.95	5.18	-58.53
CC(C)CC(NC(=O)C1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300019718256	1	50	0.0	-63.71	367.00	5.20	-58.51
CC(C)CC(NC(=O)C1C[NH+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019718327	0	51	0.0	-58.04	383.69	6.00	-52.04
CC(C)CC(NC(=O)C1C[NH+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019718327	1	51	0.0	-58.07	383.63	5.98	-52.09
CC(C)CC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300019718336	0	55	0.0	-63.84	407.10	3.77	-60.07
CC(C)CC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300019718336	1	55	0.0	-63.81	407.16	3.78	-60.03
CC(C)CC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300019718339	0	58	0.0	-60.81	423.43	4.18	-56.63
CC(C)CC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300019718339	1	58	0.0	-60.79	423.49	4.19	-56.60
CC(C)CC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300019718364	0	47	0.0	-71.95	376.06	4.08	-67.87
CC(C)CC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL300019718364	1	47	0.0	-71.92	376.00	4.07	-67.85
CC(C)CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=N[N-]N=N1	REAL300019718381	0	54	0.0	-65.08	411.37	7.96	-57.12
CC(C)CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NN=N[N-]1	REAL300019718381	1	54	0.0	-65.06	411.42	7.98	-57.08
CC(C)CC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019718466	0	47	0.0	-76.35	376.43	4.10	-72.25
CC(C)CC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019718466	1	47	0.0	-76.40	376.37	4.09	-72.31
CC(C)CC(NC(=O)C1=CC=NN1CC[NH+](C)C)C1=NN=N[N-]1	REAL300019718467	0	47	0.0	-52.17	371.05	3.55	-48.62
CC(C)CC(NC(=O)C1=CC=NN1CC[NH+](C)C)C1=N[N-]N=N1	REAL300019718467	1	47	0.0	-52.18	370.99	3.55	-48.63
CC(C)CC(NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=NN=N[N-]1	REAL300019718522	0	47	0.0	-64.69	366.52	3.07	-61.62
CC(C)CC(NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=N[N-]N=N1	REAL300019718522	1	47	0.0	-64.67	366.47	3.06	-61.61
CC(C)CC(NC(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=N[N-]N=N1	REAL300019718603	0	54	0.0	-64.15	429.22	5.29	-58.86
CC(C)CC(NC(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=NN=N[N-]1	REAL300019718603	1	54	0.0	-64.13	429.28	5.30	-58.83
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718637	1	48	0.0	-54.84	377.66	5.79	-49.05
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718637	1	48	0.0	-54.85	377.71	5.80	-49.05
CC(C)CC(NC(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019718642	0	60	0.0	-65.80	451.66	3.66	-62.14
CC(C)CC(NC(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019718642	1	60	0.0	-65.82	451.72	3.67	-62.15
CC(C)CC(NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=N[N-]N=N1	REAL300019718762	0	48	0.0	-65.60	379.34	4.83	-60.77
CC(C)CC(NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=NN=N[N-]1	REAL300019718762	1	48	0.0	-65.60	379.40	4.85	-60.75
CC(C)CC(NC(=O)CN1C=C[NH+]=C1C(C)C)C1=NN=N[N-]1	REAL300019718802	1	45	0.0	-51.34	357.48	5.33	-46.01
CC(C)CC(NC(=O)C1C[NH+](C2CCOC2)C1)C1=NN=N[N-]1	REAL300019718804	1	46	0.0	-56.37	358.19	2.99	-53.38
CC(C)CC(NC(=O)C1C[NH+](C2CCOCC2)C1)C1=NN=N[N-]1	REAL300019718814	0	49	0.0	-62.66	375.46	3.54	-59.12
CC(C)CC(NC(=O)C1C[NH+](C2CCOCC2)C1)C1=N[N-]N=N1	REAL300019718814	1	49	0.0	-62.66	375.40	3.53	-59.13
CC(C)CC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718821	1	50	0.0	-56.91	390.94	7.05	-49.86
CC(C)CC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019718821	1	50	0.0	-56.82	390.94	7.06	-49.76
COCCOCC[N@H+](C)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718822	0	54	0.0	-60.02	419.83	3.20	-56.82
COCCOCC[N@@H+](C)CCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019718822	1	54	0.0	-59.70	419.88	3.19	-56.51
COCCOCC[N@H+](C)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718822	1	54	0.0	-60.03	419.89	3.21	-56.82
COCCOCC[N@@H+](C)CCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019718822	1	54	0.0	-59.75	419.93	3.20	-56.55
CC(C)CC(NC(=O)C1CCC2CCCC[N@@H+]21)C1=NN=N[N-]1	REAL300019718839	0	48	0.0	-51.14	359.63	5.54	-45.60
CC(C)CC(NC(=O)C1CCC2CCCC[N@H+]21)C1=NN=N[N-]1	REAL300019718839	1	48	0.0	-54.50	352.43	5.10	-49.40
CC(C)CC(NC(=O)C1CCCC2CCC[N@@H+]21)C1=NN=N[N-]1	REAL300019718947	0	48	0.0	-48.64	356.36	5.48	-43.16
CC(C)CC(NC(=O)C1CCCC2CCC[N@H+]21)C1=NN=N[N-]1	REAL300019718947	1	48	0.0	-47.36	356.43	5.44	-41.92
CCOC(=O)C1CCC[N@H+](CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL300019719050	1	53	0.0	-54.83	410.04	6.03	-48.80
CCOC(=O)C1CCC[N@@H+](CC(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL300019719050	1	53	0.0	-54.77	410.06	5.99	-48.78
CC(C)CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=N[N-]N=N1	REAL300019719052	0	55	0.0	-69.81	403.43	4.86	-64.95
CC(C)CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NN=N[N-]1	REAL300019719052	1	55	0.0	-69.79	403.48	4.86	-64.93
CC(C)CC(NC(=O)C1CN(C)CC[N@H+](C)C1)C1=NN=N[N-]1	REAL300019719057	0	49	0.0	-55.38	364.01	2.78	-52.60
CC(C)CC(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1=NN=N[N-]1	REAL300019719057	1	49	0.0	-56.33	361.62	2.79	-53.54
CC(C)CC(NC(=O)C1CN(C)CC[N@H+](C)C1)C1=N[N-]N=N1	REAL300019719057	1	49	0.0	-55.38	363.94	2.76	-52.62
CC(C)CC(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1=N[N-]N=N1	REAL300019719057	1	49	0.0	-56.34	361.56	2.77	-53.57
CC1(C(=O)NC2=NN=N[N-]2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019725207	0	42	0.0	-56.34	321.37	7.84	-48.50
CC1(C(=O)NC2=N[N-]N=N2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019725207	1	42	0.0	-56.24	321.46	7.83	-48.41
O=C(NC1=NN=N[N-]1)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019727541	0	47	0.0	-77.71	372.16	7.18	-70.53
O=C(NC1=NN=N[N-]1)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019727541	1	47	0.0	-73.85	373.22	7.38	-66.47
O=C(NC1=N[N-]N=N1)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019727541	1	47	0.0	-77.63	372.25	7.17	-70.46
O=C(NC1=N[N-]N=N1)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019727541	1	47	0.0	-73.77	373.31	7.36	-66.41
CCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019732230	0	51	0.0	-65.45	399.53	7.26	-58.19
CCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019732230	1	51	0.0	-65.71	399.96	7.29	-58.42
CCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019732230	1	51	0.0	-65.50	399.59	7.28	-58.22
CCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019732230	1	51	0.0	-65.75	400.02	7.30	-58.45
CCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019732253	0	51	0.0	-56.82	379.24	5.91	-50.91
CCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019732253	1	51	0.0	-58.47	380.08	5.97	-52.50
CCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019732253	1	51	0.0	-56.79	379.19	5.90	-50.89
CCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019732253	1	51	0.0	-58.48	380.02	5.96	-52.52
CCCC(NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019732323	1	58	0.0	-68.21	440.87	5.11	-63.10
CCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=N[N-]N=N1	REAL300019732950	0	50	0.0	-69.96	360.37	5.28	-64.68
CCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=NN=N[N-]1	REAL300019732950	1	50	0.0	-69.99	360.44	5.29	-64.70
CCCC(NC(=O)C1=CC=CC(CNC2=CC=[NH+]C(C)=N2)=C1)C1=NN=N[N-]1	REAL300019732956	1	49	0.0	-66.87	405.51	5.56	-61.31
CCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300019732960	0	50	0.0	-59.12	372.91	5.62	-53.50
CCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300019732960	1	50	0.0	-59.88	372.91	5.62	-54.26
CCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300019732960	1	50	0.0	-59.12	372.97	5.64	-53.48
CCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300019732960	1	50	0.0	-59.91	372.97	5.64	-54.27
CCCC(NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=N[N-]N=N1	REAL300019734282	0	45	0.0	-64.42	363.36	4.33	-60.09
CCCC(NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=NN=N[N-]1	REAL300019734282	1	45	0.0	-64.44	363.42	4.34	-60.10
CCCC(NC(=O)C1C[NH+](C2CCOCC2)C1)C1=NN=N[N-]1	REAL300019734326	0	46	0.0	-62.35	358.26	3.00	-59.35
CCCC(NC(=O)C1C[NH+](C2CCOCC2)C1)C1=N[N-]N=N1	REAL300019734326	1	46	0.0	-62.36	358.20	2.99	-59.37
CCCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019734333	1	47	0.0	-56.70	373.69	6.49	-50.21
CCCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019734333	1	47	0.0	-56.68	373.68	6.49	-50.19
CCCC(NC(=O)CC[N@H+](C)CCOCCOC)C1=N[N-]N=N1	REAL300019734334	0	51	0.0	-59.60	402.67	2.66	-56.94
CCCC(NC(=O)CC[N@@H+](C)CCOCCOC)C1=N[N-]N=N1	REAL300019734334	1	51	0.0	-59.89	402.63	2.66	-57.23
CCCC(NC(=O)CC[N@H+](C)CCOCCOC)C1=NN=N[N-]1	REAL300019734334	1	51	0.0	-59.58	402.73	2.68	-56.90
CCCC(NC(=O)CC[N@@H+](C)CCOCCOC)C1=NN=N[N-]1	REAL300019734334	1	51	0.0	-59.90	402.68	2.67	-57.23
CCCC(NC(=O)C[N@@H+]1CCCC(C(=O)OCC)C1)C1=NN=N[N-]1	REAL300019734530	1	50	0.0	-54.64	392.86	5.45	-49.19
CCCC(NC(=O)C[N@H+]1CCCC(C(=O)OCC)C1)C1=NN=N[N-]1	REAL300019734530	1	50	0.0	-54.69	392.88	5.45	-49.24
CCCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=N[N-]N=N1	REAL300019734532	0	52	0.0	-69.45	386.23	4.31	-65.14
CCCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NN=N[N-]1	REAL300019734532	1	52	0.0	-69.41	386.27	4.31	-65.10
C[NH+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300019746205	1	45	0.0	-63.49	355.16	6.89	-56.60
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300019746237	0	52	0.0	-76.81	408.35	5.55	-71.26
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300019746237	1	52	0.0	-76.82	408.40	5.58	-71.24
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746281	1	46	0.0	-62.15	356.19	6.40	-55.75
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746281	1	46	0.0	-62.13	356.25	6.42	-55.71
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746290	0	58	0.0	-67.75	429.05	3.95	-63.80
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746290	1	58	0.0	-67.78	429.10	3.97	-63.81
O=C(C1CC[N@@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746363	0	46	0.0	-66.31	341.43	6.02	-60.29
O=C(C1CC[N@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746363	1	46	0.0	-66.46	339.93	5.86	-60.60
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019746426	0	52	0.0	-73.52	373.85	5.23	-68.29
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019746426	1	52	0.0	-72.85	374.52	5.22	-67.63
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019746426	1	52	0.0	-73.48	373.79	5.21	-68.27
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019746426	1	52	0.0	-72.83	374.46	5.20	-67.63
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300019746427	0	58	0.0	-76.14	430.93	7.12	-69.02
CC(C)[N@H+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300019746427	1	58	0.0	-70.00	416.13	6.84	-63.16
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300019746427	1	58	0.0	-76.15	430.87	7.10	-69.05
CC(C)[N@H+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300019746427	1	58	0.0	-69.96	416.07	6.81	-63.15
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746443	0	46	0.0	-67.74	357.94	5.07	-62.67
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746443	1	46	0.0	-67.73	358.00	5.09	-62.64
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746498	1	43	0.0	-60.34	335.98	5.91	-54.43
O=C(C1C[NH+](C2CCOC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746500	1	44	0.0	-74.34	336.61	3.54	-70.80
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300019746504	0	46	0.0	-77.23	317.79	4.81	-72.42
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC[NH+](CCC1)C2	REAL300019746504	1	46	0.0	-77.25	317.84	4.83	-72.42
O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746512	0	47	0.0	-70.52	352.68	4.10	-66.42
O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746512	1	47	0.0	-70.55	352.73	4.13	-66.42
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746520	1	48	0.0	-68.55	369.43	7.60	-60.95
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746520	1	48	0.0	-68.50	369.47	7.61	-60.89
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746521	0	52	0.0	-69.19	398.37	3.81	-65.38
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746521	1	52	0.0	-70.57	398.42	3.81	-66.76
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746521	1	52	0.0	-69.21	398.43	3.83	-65.38
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746521	1	52	0.0	-70.55	398.48	3.84	-66.71
O=C(C1CCC2CCCC[N@@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746542	0	46	0.0	-59.48	334.60	5.93	-53.55
O=C(C1CCC2CCCC[N@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746542	1	46	0.0	-61.20	329.99	5.63	-55.57
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746545	0	57	0.0	-73.78	416.55	7.12	-66.66
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746545	1	57	0.0	-75.11	419.94	6.96	-68.15
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746545	1	57	0.0	-73.80	416.61	7.14	-66.66
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746545	1	57	0.0	-75.12	420.00	6.98	-68.14
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746593	0	61	0.0	-78.59	450.62	10.00	-68.59
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746593	1	61	0.0	-75.78	443.83	9.88	-65.90
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746593	1	61	0.0	-78.61	450.67	10.02	-68.59
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746593	1	61	0.0	-75.74	443.88	9.91	-65.83
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746600	0	58	0.0	-74.78	433.58	9.49	-65.29
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746600	1	58	0.0	-74.50	435.94	9.63	-64.87
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746600	1	58	0.0	-74.79	433.64	9.52	-65.27
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746600	1	58	0.0	-74.53	436.00	9.66	-64.87
O=C(C1CCCC2CCC[N@@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746679	0	46	0.0	-61.82	322.70	5.24	-56.58
O=C(C1CCCC2CCC[N@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746679	1	46	0.0	-63.36	325.80	5.61	-57.75
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019746785	0	48	0.0	-61.00	333.49	5.40	-55.60
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746799	1	51	0.0	-66.11	388.59	6.56	-59.55
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746799	1	51	0.0	-66.13	388.66	6.56	-59.57
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746801	0	53	0.0	-61.84	372.03	5.06	-56.78
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746801	1	53	0.0	-61.81	372.09	5.08	-56.73
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746808	0	49	0.0	-67.71	342.03	3.72	-63.99
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746808	1	49	0.0	-67.70	342.09	3.75	-63.95
CN1CC[N@H+](C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746809	0	47	0.0	-63.85	343.21	3.16	-60.69
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019746809	1	47	0.0	-52.13	340.38	3.05	-49.08
CN1CC[N@H+](C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746809	1	47	0.0	-63.86	343.27	3.19	-60.67
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019746809	1	47	0.0	-52.12	340.44	3.07	-49.05
CCOC(=O)C1CCC[N@H+](CC(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL300019758336	1	50	0.0	-62.38	376.65	5.74	-56.64
CCOC(=O)C1CCC[N@@H+](CC(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL300019758336	1	50	0.0	-62.39	376.65	5.75	-56.64
CC(CN(C)C(=O)C1CCC([NH+]2CCOCC2)CC1)C1=N[N-]N=N1	REAL300019758338	0	52	0.0	-61.59	366.26	4.68	-56.91
CC(CN(C)C(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NN=N[N-]1	REAL300019758338	1	52	0.0	-61.56	366.32	4.70	-56.86
CC(CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1)C1=N[N-]N=N1	REAL300019758344	0	48	0.0	-59.50	335.35	3.48	-56.02
CC(CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300019758344	1	48	0.0	-59.47	335.40	3.50	-55.97
CC(CN(C)C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=N[N-]N=N1	REAL300019760341	0	42	0.0	-80.67	333.15	2.20	-78.47
CC(CN(C)C(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=NN=N[N-]1	REAL300019760341	1	42	0.0	-80.65	333.21	2.22	-78.43
CC(CN(C)C(=O)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019761274	0	61	0.0	-82.59	449.78	4.63	-77.96
CC(CN(C)C(=O)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019761274	1	61	0.0	-82.62	449.84	4.64	-77.98
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL300019761293	0	50	0.0	-64.35	363.70	6.34	-58.01
CC(C)C[N@H+]1CCCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C1	REAL300019761293	1	50	0.0	-56.86	347.95	6.23	-50.63
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL300019761293	1	50	0.0	-64.41	363.76	6.36	-58.05
CC(C)C[N@H+]1CCCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C1	REAL300019761293	1	50	0.0	-56.91	348.00	6.25	-50.66
C[NH+]1CCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764230	0	42	0.0	-60.32	356.37	5.60	-54.72
C[NH+]1CCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764230	1	42	0.0	-60.28	356.31	5.58	-54.70
CC[C@@H](C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[NH+](C)C	REAL300019764236	0	41	0.0	-46.91	342.46	4.94	-41.97
CC[C@H](C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[NH+](C)C	REAL300019764238	0	41	0.0	-51.52	342.32	4.93	-46.59
CN1CC[N@H+](C)CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764241	0	47	0.0	-52.51	383.70	4.10	-48.41
CN1CC[N@@H+](C)CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764241	1	47	0.0	-58.51	380.80	3.52	-54.99
CN1CC[N@H+](C)CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764241	1	47	0.0	-52.56	383.64	4.09	-48.47
CN1CC[N@@H+](C)CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019764241	1	47	0.0	-58.53	380.75	3.50	-55.03
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300019772206	1	44	0.0	-75.57	358.70	2.54	-73.03
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300019772206	1	44	0.0	-72.97	359.10	2.54	-70.43
C[NH+](C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Cl)C=C1	REAL300019772210	1	43	0.0	-68.38	364.28	5.48	-62.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC[N@H+](C1)CCC2	REAL300019772238	0	41	0.0	-74.23	313.70	2.77	-71.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC[N@@H+](C1)CCC2	REAL300019772238	1	41	0.0	-74.56	313.58	2.79	-71.77
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772284	1	44	0.0	-62.87	359.12	4.67	-58.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@@H+]1C1CCCC1	REAL300019772365	1	44	0.0	-69.94	345.60	4.42	-65.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@H+]1C1CCCC1	REAL300019772365	1	44	0.0	-69.93	344.00	4.29	-65.64
C[NH+](C)CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019772431	0	40	0.0	-69.92	322.38	3.19	-66.73
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019772432	0	50	0.0	-79.94	389.09	3.84	-76.10
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019772432	1	50	0.0	-80.46	397.46	4.27	-76.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019772452	0	44	0.0	-68.72	359.98	3.65	-65.07
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772505	1	41	0.0	-64.59	338.81	4.20	-60.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH+](C2CCOC2)C1	REAL300019772506	0	42	0.0	-78.00	339.87	1.83	-76.17
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC[NH+](CCC1)C2	REAL300019772510	0	44	0.0	-69.65	330.31	3.66	-65.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC[NH+](CC1)C2	REAL300019772519	0	38	0.0	-72.24	304.78	1.98	-70.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH+](C2CCOCC2)C1	REAL300019772520	0	45	0.0	-73.56	356.36	2.41	-71.15
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772527	1	46	0.0	-73.41	372.29	5.89	-67.52
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772527	1	46	0.0	-72.34	372.02	5.91	-66.43
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772528	0	50	0.0	-70.30	401.32	2.08	-68.22
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772528	1	50	0.0	-71.18	401.34	2.08	-69.10
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772548	1	41	0.0	-76.45	319.92	-0.35	-76.80
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772548	1	41	0.0	-75.70	319.63	-0.40	-76.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2CCCC[N@@H+]21	REAL300019772549	0	44	0.0	-66.38	333.62	3.96	-62.42
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2CCCC[N@H+]21	REAL300019772549	1	44	0.0	-66.38	333.86	3.95	-62.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2CCC[N@@H+]21	REAL300019772682	0	44	0.0	-64.59	329.78	4.02	-60.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2CCC[N@H+]21	REAL300019772682	1	44	0.0	-65.20	329.17	3.97	-61.23
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772683	1	41	0.0	-78.67	324.52	2.13	-76.54
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019772683	1	41	0.0	-83.48	331.42	2.57	-80.91
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772685	0	43	0.0	-70.91	336.45	3.82	-67.09
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772685	1	43	0.0	-68.94	334.55	3.50	-65.44
C[N@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC(C)(C)C	REAL300019772705	0	45	0.0	-68.37	341.20	3.88	-64.49
C[N@@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC(C)(C)C	REAL300019772705	1	45	0.0	-70.13	342.43	4.02	-66.11
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772719	0	40	0.0	-78.50	326.85	3.33	-75.17
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+]1CCCCC1	REAL300019772792	0	46	0.0	-68.67	342.38	4.35	-64.32
C[NH+]1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019772808	0	40	0.0	-75.20	317.51	3.12	-72.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC([NH+]2CCOCC2)CC1	REAL300019772816	0	51	0.0	-76.52	384.67	3.73	-72.79
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772822	0	47	0.0	-67.73	353.87	2.54	-65.19
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772823	0	45	0.0	-65.51	342.98	1.59	-63.92
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019772823	1	45	0.0	-67.34	341.69	1.01	-66.33
O=C(N1CCSCC1C1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL300019781213	0	41	0.0	-67.26	293.76	3.66	-63.60
O=C(N1CCSCC1C1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL300019781213	1	41	0.0	-68.42	295.37	3.44	-64.98
O=C(N1CCSCC1C1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL300019781213	1	41	0.0	-67.20	293.70	3.66	-63.54
O=C(N1CCSCC1C1=N[N-]N=N1)C12CC[N@@H+](C1)CCC2	REAL300019781213	1	41	0.0	-68.44	295.31	3.45	-64.99
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781250	1	44	0.0	-59.82	349.69	5.88	-53.94
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781250	1	44	0.0	-59.86	349.76	5.87	-53.99
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781255	0	56	0.0	-67.38	418.55	3.57	-63.81
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781255	1	56	0.0	-67.38	418.61	3.58	-63.80
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781379	0	44	0.0	-77.70	348.46	4.37	-73.33
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781379	1	44	0.0	-77.65	348.53	4.36	-73.29
CC(C)C1=[NH+]C=CN1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781416	1	41	0.0	-53.18	329.54	5.35	-47.83
O=C(C1C[NH+](C2CCOC2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781417	1	42	0.0	-66.49	328.05	2.86	-63.63
O=C(C1C[NH+](C2CCOCC2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781428	0	45	0.0	-68.08	346.92	3.55	-64.53
O=C(C1C[NH+](C2CCOCC2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781428	1	45	0.0	-68.10	346.84	3.54	-64.56
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781435	1	46	0.0	-59.48	362.94	7.06	-52.42
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781435	1	46	0.0	-59.91	362.92	7.05	-52.86
COCCOCC[N@H+](C)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781436	0	50	0.0	-64.18	391.59	3.38	-60.80
COCCOCC[N@@H+](C)CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781436	1	50	0.0	-65.77	391.91	3.31	-62.46
COCCOCC[N@H+](C)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781436	1	50	0.0	-64.20	391.66	3.40	-60.80
COCCOCC[N@@H+](C)CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781436	1	50	0.0	-65.81	391.98	3.30	-62.51
O=C(C1CCC2CCCC[N@@H+]21)N1CCSCC1C1=NN=N[N-]1	REAL300019781454	0	44	0.0	-57.94	323.24	5.09	-52.85
O=C(C1CCC2CCCC[N@H+]21)N1CCSCC1C1=NN=N[N-]1	REAL300019781454	1	44	0.0	-55.64	325.59	5.31	-50.33
O=C(C1CCCC2CCC[N@@H+]21)N1CCSCC1C1=NN=N[N-]1	REAL300019781564	0	44	0.0	-52.81	328.08	5.34	-47.47
O=C(C1CCCC2CCC[N@H+]21)N1CCSCC1C1=NN=N[N-]1	REAL300019781564	1	44	0.0	-55.18	313.19	4.84	-50.34
CC1C[N@H+](C)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019781565	1	41	0.0	-82.83	307.74	2.96	-79.87
CC1C[N@@H+](C)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019781565	1	41	0.0	-81.94	307.25	3.18	-78.76
C[N@@H+]1CCCC1CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781567	0	43	0.0	-71.91	331.16	5.17	-66.74
C[N@H+]1CCCC1CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781567	1	43	0.0	-70.29	327.49	5.01	-65.28
C[N@@H+]1CCCC1CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781567	1	43	0.0	-71.97	331.23	5.17	-66.80
C[N@H+]1CCCC1CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781567	1	43	0.0	-70.24	327.56	5.00	-65.24
C[N@H+](CC(=O)N1CCSCC1C1=N[N-]N=N1)CC(C)(C)C	REAL300019781585	0	45	0.0	-57.59	332.18	5.29	-52.30
C[N@@H+](CC(=O)N1CCSCC1C1=N[N-]N=N1)CC(C)(C)C	REAL300019781585	1	45	0.0	-57.40	333.71	5.26	-52.14
C[N@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)CC(C)(C)C	REAL300019781585	1	45	0.0	-57.59	332.23	5.32	-52.27
C[N@@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)CC(C)(C)C	REAL300019781585	1	45	0.0	-57.42	333.77	5.27	-52.15
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781663	1	49	0.0	-64.73	375.97	6.15	-58.58
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781663	1	49	0.0	-57.38	374.58	5.54	-51.84
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019781664	0	51	0.0	-55.54	362.12	4.44	-51.10
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019781664	1	51	0.0	-55.54	362.19	4.42	-51.12
CN1CC[N@H+](C)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781667	0	45	0.0	-59.41	330.90	2.43	-56.98
CN1CC[N@@H+](C)CC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019781667	1	45	0.0	-59.67	332.49	2.55	-57.12
CN1CC[N@H+](C)CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019781667	1	45	0.0	-59.38	330.84	2.43	-56.95
CN1CC[N@@H+](C)CC(C(=O)N2CCSCC2C2=N[N-]N=N2)C1	REAL300019781667	1	45	0.0	-59.62	332.44	2.53	-57.09
C[NH+](C)CCSCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783340	0	40	0.0	-74.51	330.63	4.65	-69.86
C[NH+](C)CCSCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783340	1	40	0.0	-74.54	330.69	4.63	-69.91
O=C(N1CCSCC1C1=NN=N[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019783344	1	42	0.0	-64.50	322.89	5.15	-59.35
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CC1=[NH+]C=C2C=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=CN21	REAL300019783367	0	38	0.0	-65.10	311.16	5.52	-59.58
CC[N@@H+]1CCOCC1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783378	1	44	0.0	-69.68	331.22	3.24	-66.44
CC[N@H+]1CCOCC1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783378	1	44	0.0	-65.48	326.55	3.26	-62.22
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CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019791215	1	53	0.0	-70.50	390.19	2.50	-68.00
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019791215	1	53	0.0	-65.40	382.22	2.09	-63.31
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019791215	1	53	0.0	-70.47	390.13	2.50	-67.97
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791234	0	47	0.0	-60.63	365.80	2.50	-58.13
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791234	1	47	0.0	-60.68	365.86	2.50	-58.18
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791289	1	44	0.0	-55.35	344.15	2.75	-52.60
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791289	1	44	0.0	-55.37	344.21	2.75	-52.62
O=C(C1C[NH+](C2CCOC2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791290	1	45	0.0	-66.43	344.79	0.35	-66.08
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CCC[NH+](CCC1)C2	REAL300019791294	0	47	0.0	-69.12	324.78	1.62	-67.50
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CCC[NH+](CCC1)C2	REAL300019791294	1	47	0.0	-69.11	324.84	1.63	-67.48
O=C(C1C[NH+](C2CCOCC2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791303	0	48	0.0	-66.35	361.62	0.94	-65.41
O=C(C1C[NH+](C2CCOCC2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791303	1	48	0.0	-66.38	361.68	0.94	-65.44
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791311	1	49	0.0	-63.64	377.62	4.45	-59.19
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791311	1	49	0.0	-63.53	377.61	4.45	-59.08
COCCOCC[N@H+](C)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791312	0	53	0.0	-63.50	406.57	0.67	-62.83
COCCOCC[N@@H+](C)CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791312	1	53	0.0	-63.69	406.60	0.68	-63.01
COCCOCC[N@H+](C)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791312	1	53	0.0	-63.54	406.64	0.67	-62.87
COCCOCC[N@@H+](C)CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791312	1	53	0.0	-63.70	406.66	0.69	-63.01
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791335	0	44	0.0	-58.21	318.42	-2.47	-60.68
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791335	1	44	0.0	-56.30	317.03	-2.81	-59.11
O=C(C1CCC2CCCC[N@@H+]21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791336	0	47	0.0	-53.56	342.15	2.73	-50.83
O=C(C1CCC2CCCC[N@H+]21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791336	1	47	0.0	-53.93	338.48	2.48	-51.45
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791392	0	59	0.0	-70.66	441.40	6.33	-64.33
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791392	1	59	0.0	-66.75	443.95	6.49	-60.26
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791392	1	59	0.0	-70.73	441.46	6.34	-64.39
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791392	1	59	0.0	-66.78	444.02	6.49	-60.29
O=C(C1CCCC2CCC[N@@H+]21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791473	0	47	0.0	-56.40	331.61	2.01	-54.39
O=C(C1CCCC2CCC[N@H+]21)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791473	1	47	0.0	-50.52	343.10	2.75	-47.77
CC1C[N@H+](C)CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791475	1	44	0.0	-68.44	326.66	1.00	-67.44
CC1C[N@@H+](C)CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1	REAL300019791475	1	44	0.0	-69.44	325.24	0.57	-68.87
C[N@@H+]1CCCC1CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791477	0	46	0.0	-65.17	345.80	2.55	-62.62
C[N@H+]1CCCC1CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791477	1	46	0.0	-65.03	342.12	2.37	-62.66
C[N@@H+]1CCCC1CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791477	1	46	0.0	-65.20	345.86	2.55	-62.65
C[N@H+]1CCCC1CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791477	1	46	0.0	-65.06	342.18	2.37	-62.69
C[N@H+](CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)CC(C)(C)C	REAL300019791497	0	48	0.0	-59.41	346.24	2.41	-57.00
C[N@@H+](CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)CC(C)(C)C	REAL300019791497	1	48	0.0	-59.44	348.19	2.56	-56.88
C[N@H+](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)CC(C)(C)C	REAL300019791497	1	48	0.0	-59.44	346.31	2.41	-57.03
C[N@@H+](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)CC(C)(C)C	REAL300019791497	1	48	0.0	-59.44	348.25	2.57	-56.87
CC(C)(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)[NH+]1CCCCC1	REAL300019791588	0	49	0.0	-51.36	340.09	2.36	-49.00
CC(C)(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300019791588	1	49	0.0	-51.36	340.15	2.36	-49.00
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791608	1	52	0.0	-61.77	390.66	3.55	-58.22
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791608	1	52	0.0	-61.59	396.77	3.41	-58.18
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791610	0	54	0.0	-62.42	376.10	1.68	-60.74
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791610	1	54	0.0	-62.43	376.16	1.68	-60.75
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791616	0	50	0.0	-56.95	351.45	0.56	-56.39
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791616	1	50	0.0	-56.95	351.51	0.57	-56.38
CN1CC[N@H+](C)CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791617	0	48	0.0	-60.58	349.17	-0.07	-60.65
CN1CC[N@@H+](C)CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019791617	1	48	0.0	-60.35	343.52	-0.68	-61.03
CN1CC[N@H+](C)CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791617	1	48	0.0	-60.62	349.23	-0.06	-60.68
CN1CC[N@@H+](C)CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019791617	1	48	0.0	-60.38	343.58	-0.68	-61.06
CCC(CC)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019799228	0	54	0.0	-59.06	401.57	8.06	-51.00
CCC(CC)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019799228	1	54	0.0	-58.86	400.59	8.08	-50.78
CCC(CC)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019799228	1	54	0.0	-59.09	401.64	8.07	-51.02
CCC(CC)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019799228	1	54	0.0	-58.93	400.66	8.10	-50.83
CCC(CC)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019799251	0	54	0.0	-53.54	381.56	6.74	-46.80
CCC(CC)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019799251	1	54	0.0	-53.15	382.32	6.76	-46.39
CCC(CC)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019799251	1	54	0.0	-53.54	381.49	6.73	-46.81
CCC(CC)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019799251	1	54	0.0	-53.15	382.25	6.74	-46.41
CCC(CC)(NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019799320	1	61	0.0	-62.88	442.90	5.97	-56.91
CCC(CC)(NC(=O)C(C)C[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300019799596	1	48	0.0	-55.03	347.44	3.59	-51.44
CCC(CC)(NC(=O)C[N@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL300019799628	0	45	0.0	-54.96	334.69	5.20	-49.76
CCC(CC)(NC(=O)C[N@@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL300019799628	1	45	0.0	-55.37	335.34	5.11	-50.26
CCC(CC)(NC(=O)C1=C(C)N2C=[NH+]C=C2C=C1)C1=NN=N[N-]1	REAL300019799801	1	42	0.0	-55.10	320.41	6.76	-48.34
CCC(CC)(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=N[N-]N=N1	REAL300019800011	0	53	0.0	-53.05	342.27	6.33	-46.72
CCC(CC)(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=NN=N[N-]1	REAL300019800011	1	53	0.0	-53.14	342.33	6.33	-46.81
CCC(CC)(NC(=O)C1=CC=CC(CNC2=CC=[NH+]C(C)=N2)=C1)C1=NN=N[N-]1	REAL300019800017	1	52	0.0	-58.98	407.08	6.39	-52.59
CCC(CC)(NC(=O)CC[N@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300019800021	0	53	0.0	-54.22	374.48	6.46	-47.76
CCC(CC)(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300019800021	1	53	0.0	-54.22	374.48	6.46	-47.76
CCC(CC)(NC(=O)CC[N@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300019800021	1	53	0.0	-54.24	374.54	6.47	-47.77
CCC(CC)(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300019800021	1	53	0.0	-54.27	374.55	6.47	-47.80
CCC(CC)(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019801230	0	47	0.0	-64.06	360.81	4.38	-59.68
CCC(CC)(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019801230	1	47	0.0	-64.10	360.74	4.37	-59.73
CCC(CC)(NC(=O)C1=CC=NN1CC[NH+](C)C)C1=NN=N[N-]1	REAL300019801231	0	47	0.0	-53.17	355.94	4.26	-48.91
CCC(CC)(NC(=O)C1=CC=NN1CC[NH+](C)C)C1=N[N-]N=N1	REAL300019801231	1	47	0.0	-53.12	355.87	4.24	-48.88
CCC(CC)(NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=NN=N[N-]1	REAL300019801286	0	47	0.0	-54.01	351.66	3.36	-50.65
CCC(CC)(NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=N[N-]N=N1	REAL300019801286	1	47	0.0	-53.98	351.59	3.35	-50.63
CCC(CC)(NC(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=N[N-]N=N1	REAL300019801367	0	54	0.0	-59.63	413.58	5.55	-54.08
CCC(CC)(NC(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=NN=N[N-]1	REAL300019801367	1	54	0.0	-59.66	413.65	5.56	-54.10
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019801401	1	48	0.0	-48.42	362.02	6.06	-42.36
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019801401	1	48	0.0	-48.44	362.08	6.07	-42.37
CCC(CC)(NC(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019801406	0	60	0.0	-49.23	436.04	3.92	-45.31
CCC(CC)(NC(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019801406	1	60	0.0	-49.26	436.11	3.93	-45.33
CCC(CC)(NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=N[N-]N=N1	REAL300019801526	0	48	0.0	-53.03	364.92	5.14	-47.89
CCC(CC)(NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=NN=N[N-]1	REAL300019801526	1	48	0.0	-53.02	364.99	5.15	-47.87
CCC(CC)(NC(=O)CN1C=C[NH+]=C1C(C)C)C1=N[N-]N=N1	REAL300019801566	1	45	0.0	-46.89	341.69	5.59	-41.30
CCC(CC)(NC(=O)CN1C=C[NH+]=C1C(C)C)C1=NN=N[N-]1	REAL300019801566	1	45	0.0	-46.89	341.76	5.60	-41.29
CCC(CC)(NC(=O)C1C[NH+](C2CCOC2)C1)C1=NN=N[N-]1	REAL300019801568	1	46	0.0	-55.41	342.51	3.25	-52.16
CCC(CC)(NC(=O)C1C[NH+](C2CCOCC2)C1)C1=NN=N[N-]1	REAL300019801578	0	49	0.0	-55.46	359.83	3.82	-51.64
CCC(CC)(NC(=O)C1C[NH+](C2CCOCC2)C1)C1=N[N-]N=N1	REAL300019801578	1	49	0.0	-55.46	359.77	3.81	-51.65
CCC(CC)(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019801585	1	50	0.0	-54.54	374.48	7.41	-47.13
CCC(CC)(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019801585	1	50	0.0	-54.96	375.27	7.31	-47.65
CCC(CC)(NC(=O)CC[N@H+](C)CCOCCOC)C1=N[N-]N=N1	REAL300019801586	0	54	0.0	-55.84	404.25	3.48	-52.36
CCC(CC)(NC(=O)CC[N@@H+](C)CCOCCOC)C1=N[N-]N=N1	REAL300019801586	1	54	0.0	-54.91	404.20	3.48	-51.43
CCC(CC)(NC(=O)CC[N@H+](C)CCOCCOC)C1=NN=N[N-]1	REAL300019801586	1	54	0.0	-55.84	404.31	3.50	-52.34
CCC(CC)(NC(=O)CC[N@@H+](C)CCOCCOC)C1=NN=N[N-]1	REAL300019801586	1	54	0.0	-54.93	404.26	3.49	-51.44
CCC(CC)(NC(=O)C1CCC2CCCC[N@@H+]21)C1=NN=N[N-]1	REAL300019801603	0	48	0.0	-45.08	343.50	5.82	-39.26
CCC(CC)(NC(=O)C1CCC2CCCC[N@H+]21)C1=NN=N[N-]1	REAL300019801603	1	48	0.0	-46.16	336.06	5.45	-40.71
CCC(CC)(NC(=O)C1CCCC2CCC[N@@H+]21)C1=NN=N[N-]1	REAL300019801711	0	48	0.0	-44.44	340.71	5.69	-38.75
CCC(CC)(NC(=O)C1CCCC2CCC[N@H+]21)C1=NN=N[N-]1	REAL300019801711	1	48	0.0	-44.36	340.61	5.70	-38.66
CCOC(=O)C1CCC[N@H+](CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL300019801814	1	53	0.0	-53.33	394.45	6.26	-47.07
CCOC(=O)C1CCC[N@@H+](CC(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL300019801814	1	53	0.0	-53.10	388.34	6.40	-46.70
CCC(CC)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=N[N-]N=N1	REAL300019801816	0	55	0.0	-58.85	387.83	5.12	-53.73
CCC(CC)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NN=N[N-]1	REAL300019801816	1	55	0.0	-58.82	387.90	5.14	-53.68
CCC(CC)(NC(=O)C1CN(C)CC[N@H+](C)C1)C1=NN=N[N-]1	REAL300019801821	0	49	0.0	-52.96	348.27	3.06	-49.90
CCC(CC)(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1=NN=N[N-]1	REAL300019801821	1	49	0.0	-56.01	345.13	2.43	-53.58
CCC(CC)(NC(=O)C1CN(C)CC[N@H+](C)C1)C1=N[N-]N=N1	REAL300019801821	1	49	0.0	-52.95	348.20	3.05	-49.90
CCC(CC)(NC(=O)C1CN(C)CC[N@@H+](C)C1)C1=N[N-]N=N1	REAL300019801821	1	49	0.0	-56.01	345.06	2.42	-53.59
CCC(CC)(NC(=O)CCC1=[NH+]C(C)=C(C)N1)C1=NN=N[N-]1	REAL300019803313	1	45	0.0	-48.96	346.37	4.16	-44.80
CCC(CC)(NC(=O)CSCC[NH+](C)C)C1=N[N-]N=N1	REAL300019803508	0	44	0.0	-59.13	342.96	4.78	-54.35
CCC(CC)(NC(=O)CSCC[NH+](C)C)C1=NN=N[N-]1	REAL300019803508	1	44	0.0	-59.11	343.03	4.79	-54.32
CCC(CC)(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=NN=N[N-]1	REAL300019803512	1	46	0.0	-47.01	334.45	5.52	-41.49
CCC(CC)(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=NN=N[N-]1	REAL300019803512	1	46	0.0	-47.14	327.36	4.87	-42.27
CCC(CC)(NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=N[N-]N=N1	REAL300019803531	0	45	0.0	-72.25	335.97	2.55	-69.70
CCC(CC)(NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=NN=N[N-]1	REAL300019803531	1	45	0.0	-72.22	336.04	2.57	-69.65
CCC(CC)(NC(=O)C1=CN2C(=C[NH+]=C2C)C=C1)C1=NN=N[N-]1	REAL300019803536	0	42	0.0	-51.32	327.71	6.15	-45.17
CC[N@@H+]1CCOCC1CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803546	1	48	0.0	-54.50	339.10	3.29	-51.21
CC[N@H+]1CCOCC1CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019803546	1	48	0.0	-55.18	344.29	3.32	-51.86
CCC(CC)(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019804203	0	57	0.0	-58.16	415.79	8.79	-49.37
CCC(CC)(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019804203	1	57	0.0	-58.17	415.85	8.80	-49.37
CCC(CC)(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019804204	1	55	0.0	-63.49	401.64	6.53	-56.96
CCC(CC)(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019804204	1	55	0.0	-63.66	401.61	6.52	-57.14
CCC(CC)(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=N[N-]N=N1	REAL300019804270	0	50	0.0	-52.29	344.39	5.40	-46.89
CCC(CC)(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=NN=N[N-]1	REAL300019804270	1	50	0.0	-52.30	344.45	5.41	-46.89
CCC(CC)(NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL300019804333	0	53	0.0	-52.61	377.31	6.56	-46.05
CCC(CC)(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL300019804333	1	53	0.0	-49.47	366.41	6.61	-42.86
CCC(CC)(NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL300019804333	1	53	0.0	-52.60	377.25	6.55	-46.05
CCC(CC)(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL300019804333	1	53	0.0	-49.42	366.34	6.59	-42.83
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019814203	0	43	0.0	-67.74	360.23	6.19	-61.55
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814257	1	40	0.0	-56.74	341.78	6.20	-50.54
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1C[NH+](C2CCOC2)C1	REAL300019814258	1	41	0.0	-67.35	337.84	3.62	-63.73
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C12CCC[NH+](CCC1)C2	REAL300019814262	0	43	0.0	-63.50	329.09	5.59	-57.91
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C12CCC[NH+](CCC1)C2	REAL300019814262	1	43	0.0	-63.56	329.02	5.60	-57.96
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C12CC[NH+](CC1)C2	REAL300019814271	0	37	0.0	-66.64	303.91	3.96	-62.68
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C12CC[NH+](CC1)C2	REAL300019814271	1	37	0.0	-66.64	303.85	3.97	-62.67
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1C[NH+](C2CCOCC2)C1	REAL300019814272	0	44	0.0	-67.32	354.86	4.37	-62.95
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814279	1	45	0.0	-64.80	371.55	7.85	-56.95
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814279	1	45	0.0	-64.81	371.56	7.87	-56.94
COCCOCC[N@H+](C)CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814280	0	49	0.0	-64.80	399.53	4.03	-60.77
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814280	1	49	0.0	-66.62	400.54	4.05	-62.57
COCCOCC[N@H+](C)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814280	1	49	0.0	-64.80	399.59	4.02	-60.78
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814280	1	49	0.0	-66.58	400.60	4.05	-62.53
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCC2CCCC[N@@H+]21	REAL300019814301	0	43	0.0	-59.53	333.34	5.91	-53.62
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCC2CCCC[N@H+]21	REAL300019814301	1	43	0.0	-56.51	339.14	6.31	-50.20
CC1=C[NH+]=CN1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814347	1	34	0.0	-60.48	301.13	5.72	-54.76
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCC2CCC[N@@H+]21	REAL300019814433	0	43	0.0	-58.88	327.51	5.94	-52.94
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCC2CCC[N@H+]21	REAL300019814433	1	43	0.0	-53.74	337.22	6.26	-47.48
CC1C[N@H+](C)CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814434	1	40	0.0	-78.11	324.02	4.07	-74.04
CC1C[N@@H+](C)CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019814434	1	40	0.0	-76.07	324.55	4.48	-71.59
C[N@@H+]1CCCC1CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814436	0	42	0.0	-66.89	338.91	5.93	-60.96
C[N@H+]1CCCC1CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814436	1	42	0.0	-62.51	332.64	5.43	-57.08
C[N@@H+]1CCCC1CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814436	1	42	0.0	-66.87	338.98	5.92	-60.95
C[N@H+]1CCCC1CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814436	1	42	0.0	-62.54	332.70	5.42	-57.12
C[N@H+](CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)CC(C)(C)C	REAL300019814456	0	44	0.0	-61.80	339.42	5.81	-55.99
C[N@@H+](CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)CC(C)(C)C	REAL300019814456	1	44	0.0	-61.59	342.56	5.99	-55.60
C=C(CC[NH+](C)C)C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814470	0	39	0.0	-73.00	326.32	5.29	-67.71
C=C(CC[NH+](C)C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814470	1	39	0.0	-72.93	326.37	5.29	-67.64
CC(C)(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[NH+]1CCCCC1	REAL300019814544	1	45	0.0	-61.95	341.11	6.40	-55.55
C[NH+]1CCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019814560	0	39	0.0	-69.74	315.92	5.07	-64.67
C[NH+]1CCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019814560	1	39	0.0	-69.79	315.86	5.08	-64.71
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCC([NH+]2CCOCC2)CC1	REAL300019814568	0	50	0.0	-60.54	377.83	5.55	-54.99
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814575	1	46	0.0	-60.92	353.22	4.50	-56.42
CN1CC[N@H+](C)CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019814576	0	44	0.0	-59.24	343.27	3.56	-55.68
CN1CC[N@@H+](C)CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019814576	1	44	0.0	-60.16	342.21	3.53	-56.63
CN1CC[N@H+](C)CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019814576	1	44	0.0	-59.68	344.06	3.57	-56.11
CN1CC[N@@H+](C)CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019814576	1	44	0.0	-60.20	342.16	3.54	-56.66
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)C3=NN=N[N-]3)CC2)=C1	REAL300019825220	0	47	0.0	-68.83	359.50	7.74	-61.09
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)C3=N[N-]N=N3)CC2)=C1	REAL300019825220	1	47	0.0	-68.72	359.64	7.71	-61.01
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019825221	0	44	0.0	-69.00	338.09	7.08	-61.92
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019825221	1	44	0.0	-68.93	338.23	7.06	-61.87
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL300019825222	0	43	0.0	-68.11	335.85	6.50	-61.61
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL300019825222	1	43	0.0	-67.98	335.99	6.47	-61.51
CN(C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1)C1=N[N-]N=N1	REAL300019825223	0	44	0.0	-67.67	340.15	6.26	-61.41
CN(C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1)C1=NN=N[N-]1	REAL300019825223	1	44	0.0	-67.75	340.01	6.24	-61.51
CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=N[N-]N=N1	REAL300019825246	0	44	0.0	-73.07	339.21	6.08	-66.99
CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=NN=N[N-]1	REAL300019825246	1	44	0.0	-73.17	339.08	6.06	-67.11
CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019825345	0	42	0.0	-71.11	328.20	8.89	-62.22
CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019825345	1	42	0.0	-72.03	330.88	8.94	-63.09
CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019825345	1	42	0.0	-71.01	328.33	8.87	-62.14
CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019825345	1	42	0.0	-71.91	331.01	8.91	-63.00
CC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019825500	0	49	0.0	-78.13	399.07	4.70	-73.43
CC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019825500	1	49	0.0	-78.25	398.93	4.72	-73.53
CN(C(=O)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019825541	0	43	0.0	-59.55	323.71	5.67	-53.88
CN(C(=O)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019825541	1	43	0.0	-62.45	328.40	5.95	-56.50
CN(C(=O)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019825541	1	43	0.0	-59.45	323.84	5.65	-53.80
CN(C(=O)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019825541	1	43	0.0	-62.39	328.54	5.91	-56.48
CN(C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C1=NN=N[N-]1	REAL300019825636	1	43	0.0	-54.07	328.65	5.41	-48.66
CN(C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019825749	0	45	0.0	-36.54	326.46	8.57	-27.97
CN(C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019825749	1	45	0.0	-36.47	326.56	8.55	-27.92
CN(C(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019828742	0	50	0.0	-79.53	385.94	8.58	-70.95
CN(C(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019828742	1	50	0.0	-81.84	387.74	8.62	-73.22
CN(C(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019828742	1	50	0.0	-79.41	386.08	8.57	-70.84
CN(C(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019828742	1	50	0.0	-81.71	387.87	8.61	-73.10
C[N@@H+]1CC(O)CC1(C)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019835209	1	43	0.0	-53.70	336.88	1.66	-52.04
C[N@H+]1CC(O)CC1(C)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019835209	1	43	0.0	-53.74	336.92	1.66	-52.08
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CCC2CCCC[N@@H+]21	REAL300019835210	0	46	0.0	-48.35	357.08	6.31	-42.04
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CCC2CCCC[N@H+]21	REAL300019835210	1	46	0.0	-48.39	357.00	6.28	-42.11
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CCCC2CCC[N@@H+]21	REAL300019835347	0	46	0.0	-46.60	353.52	6.19	-40.41
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CCCC2CCC[N@H+]21	REAL300019835347	1	46	0.0	-54.27	345.92	5.94	-48.33
CC1C[N@H+](C)CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)O1	REAL300019835349	1	43	0.0	-48.09	340.64	4.39	-43.70
CC1C[N@@H+](C)CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)O1	REAL300019835349	1	43	0.0	-65.01	341.06	4.53	-60.48
C[N@@H+]1CCCC1CCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019835351	0	45	0.0	-60.63	352.80	5.71	-54.92
C[N@H+]1CCCC1CCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019835351	1	45	0.0	-59.35	351.16	5.39	-53.96
C[N@@H+]1CCCC1CCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019835351	1	45	0.0	-60.64	352.74	5.69	-54.95
C[N@H+]1CCCC1CCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019835351	1	45	0.0	-59.35	351.10	5.38	-53.97
C[N@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)CC(C)(C)C	REAL300019835371	0	47	0.0	-52.61	357.05	5.78	-46.83
C[N@@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)CC(C)(C)C	REAL300019835371	1	47	0.0	-52.22	358.86	5.87	-46.35
C[N@H+](CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1)CC(C)(C)C	REAL300019835371	1	47	0.0	-52.61	356.99	5.77	-46.84
C[N@@H+](CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1)CC(C)(C)C	REAL300019835371	1	47	0.0	-52.19	358.80	5.85	-46.34
C=C(CC[NH+](C)C)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019835385	0	42	0.0	-66.25	343.13	5.24	-61.01
C=C(CC[NH+](C)C)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019835385	1	42	0.0	-66.22	343.07	5.23	-60.99
CC(C)(C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)[NH+]1CCCCC1	REAL300019835459	0	48	0.0	-51.91	358.47	6.35	-45.56
C[NH+]1CCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL300019835474	0	42	0.0	-64.35	333.79	5.03	-59.32
C[NH+]1CCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL300019835474	1	42	0.0	-64.38	333.74	5.01	-59.37
CCOC(=O)C1CCC[N@H+](CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019835480	1	51	0.0	-53.67	407.54	6.77	-46.90
CCOC(=O)C1CCC[N@@H+](CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019835480	1	51	0.0	-55.97	401.40	6.91	-49.06
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CCC([NH+]2CCOCC2)CC1	REAL300019835482	0	53	0.0	-68.74	400.88	5.63	-63.11
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CCC([NH+]2CCOCC2)CC1	REAL300019835482	1	53	0.0	-68.75	400.94	5.64	-63.11
CC(C)(C[NH+]1CCOCC1)C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019835488	0	49	0.0	-57.16	370.04	4.46	-52.70
CC(C)(C[NH+]1CCOCC1)C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019835488	1	49	0.0	-57.06	369.98	4.45	-52.61
CN1CC[N@H+](C)CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019835489	0	47	0.0	-55.21	361.48	3.54	-51.67
CN1CC[N@@H+](C)CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019835489	1	47	0.0	-57.33	358.06	2.95	-54.38
CN1CC[N@H+](C)CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019835489	1	47	0.0	-55.22	361.43	3.52	-51.70
CN1CC[N@@H+](C)CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019835489	1	47	0.0	-57.30	358.01	2.93	-54.37
CC(C)[N@@H+]1CCOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840239	1	43	0.0	-39.48	346.52	5.86	-33.62
CC(C)[N@H+]1CCOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840239	1	43	0.0	-47.74	347.59	5.86	-41.88
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CN2C=[NH+]C=C2C=C1	REAL300019840292	1	34	0.0	-55.72	312.20	7.99	-47.73
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840300	1	34	0.0	-44.98	311.45	6.10	-38.88
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840466	0	45	0.0	-51.41	358.08	7.11	-44.30
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840466	1	45	0.0	-51.41	358.04	7.10	-44.31
C[N@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC1	REAL300019840487	0	39	0.0	-44.28	329.25	6.51	-37.77
C[N@@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC1	REAL300019840487	1	39	0.0	-45.10	329.15	6.49	-38.61
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300019840574	0	42	0.0	-53.26	339.17	6.18	-47.08
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300019840574	1	42	0.0	-53.02	344.29	6.52	-46.50
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300019840574	1	42	0.0	-53.25	339.12	6.19	-47.06
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300019840574	1	42	0.0	-53.01	344.24	6.52	-46.49
C[C@@H]1[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300019840583	0	39	0.0	-48.98	320.64	5.60	-43.38
C[C@@H]1[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300019840583	1	39	0.0	-49.01	325.17	5.77	-43.24
C[C@@H]1[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300019840583	1	39	0.0	-49.05	320.60	5.60	-43.45
C[C@@H]1[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300019840583	1	39	0.0	-49.03	325.13	5.77	-43.26
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840613	1	42	0.0	-44.60	327.56	5.14	-39.46
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840613	1	42	0.0	-42.47	344.98	6.26	-36.21
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL300019840632	0	40	0.0	-54.95	323.65	5.70	-49.25
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL300019840632	1	40	0.0	-53.41	324.05	5.70	-47.71
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL300019840632	1	40	0.0	-54.92	323.60	5.69	-49.23
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C12CC[N@@H+](C1)CCC2	REAL300019840632	1	40	0.0	-53.39	324.01	5.69	-47.70
C[NH+](C)CC1(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840685	0	39	0.0	-49.56	327.50	6.21	-43.35
C[NH+](C)CC1(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840685	1	39	0.0	-49.60	327.54	6.21	-43.39
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840710	1	40	0.0	-43.44	348.79	7.25	-36.19
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1C[NH+](C2CCOC2)C1	REAL300019840711	0	41	0.0	-49.13	349.40	4.86	-44.27
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840715	1	36	0.0	-45.83	307.99	5.49	-40.34
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840715	1	36	0.0	-42.86	302.43	5.06	-37.80
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840716	1	36	0.0	-48.13	302.39	5.03	-43.10
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840716	1	36	0.0	-46.25	308.33	5.57	-40.68
C[C@H](C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019840717	1	35	0.0	-48.13	300.21	4.90	-43.23
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2CCCC[N@@H+]21	REAL300019840724	0	43	0.0	-41.86	350.92	7.46	-34.40
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCC2CCCC[N@H+]21	REAL300019840724	1	43	0.0	-40.69	350.85	7.44	-33.25
CC1=C[NH+]=CN1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840741	1	34	0.0	-48.97	312.79	6.87	-42.10
C[C@@H](C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019840766	1	35	0.0	-44.54	301.04	4.93	-39.61
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2CCC[N@@H+]21	REAL300019840771	0	43	0.0	-43.66	340.40	7.09	-36.57
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCCC2CCC[N@H+]21	REAL300019840771	1	43	0.0	-44.96	338.91	7.04	-37.92
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840773	1	40	0.0	-52.86	334.15	5.54	-47.32
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)O1	REAL300019840773	1	40	0.0	-52.83	334.17	5.54	-47.29
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840775	0	42	0.0	-51.88	349.39	6.98	-44.90
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840775	1	42	0.0	-51.59	344.68	6.54	-45.05
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840775	1	42	0.0	-51.86	349.35	6.98	-44.88
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840775	1	42	0.0	-51.56	344.64	6.54	-45.02
C[N@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019840785	0	44	0.0	-46.69	348.60	6.88	-39.81
C[N@@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019840785	1	44	0.0	-47.02	352.86	7.04	-39.98
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840789	0	39	0.0	-46.45	336.96	6.39	-40.06
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840789	1	39	0.0	-46.47	337.00	6.38	-40.09
C[NH+]1CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019840820	0	39	0.0	-54.85	326.94	6.14	-48.71
C[NH+]1CCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019840820	1	39	0.0	-54.87	326.89	6.13	-48.74
CC[C@@H](C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019840826	0	38	0.0	-47.05	313.40	5.52	-41.53
CC[C@H](C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019840827	0	38	0.0	-46.48	312.44	5.57	-40.91
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840828	0	44	0.0	-49.28	354.65	4.67	-44.61
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019840828	1	44	0.0	-48.46	353.82	4.26	-44.20
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840828	1	44	0.0	-49.27	354.61	4.67	-44.60
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019840828	1	44	0.0	-48.44	353.77	4.26	-44.18
C[N@H+]1CC=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841218	0	40	0.0	-54.75	342.17	6.83	-47.92
C[N@@H+]1CC=C(CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841218	1	40	0.0	-53.82	342.18	6.83	-46.99
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC[N@@H+]2CCOCC12	REAL300019841280	0	41	0.0	-49.67	336.91	4.81	-44.86
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC[N@H+]2CCOCC12	REAL300019841280	1	41	0.0	-49.61	338.35	4.70	-44.91
C[NH+](C)CCSCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841452	0	39	0.0	-56.73	349.90	6.45	-50.28
C[NH+](C)CCSCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841452	1	39	0.0	-56.74	349.95	6.44	-50.30
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019841453	1	41	0.0	-43.81	336.71	7.17	-36.64
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL300019841453	1	41	0.0	-41.77	340.04	7.63	-34.14
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(Br)C=C3C3=NN=N[N-]3)=CN21	REAL300019841466	0	37	0.0	-49.76	334.59	7.79	-41.97
CC[N@@H+]1CCOCC1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841472	1	43	0.0	-51.11	350.81	5.00	-46.11
CC[N@H+]1CCOCC1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841472	1	43	0.0	-53.68	345.39	4.83	-48.85
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841733	0	39	0.0	-54.36	332.52	6.24	-48.12
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841733	1	39	0.0	-54.38	332.57	6.24	-48.14
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019841740	0	45	0.0	-47.16	354.05	7.15	-40.01
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019841740	1	45	0.0	-47.19	354.10	7.17	-40.02
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841769	0	42	0.0	-47.68	338.83	6.97	-40.71
CC[N@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019841769	1	42	0.0	-48.69	338.27	6.96	-41.73
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841769	1	42	0.0	-47.72	338.79	6.97	-40.75
CC[N@H+]1CCCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C1	REAL300019841769	1	42	0.0	-48.63	338.22	6.96	-41.67
C[NH+](C)C1(C)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019841795	0	47	0.0	-75.42	339.19	7.13	-68.29
C[NH+](C)C1(C)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019841795	1	47	0.0	-75.23	339.28	7.15	-68.08
C[NH+](C)C1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019841796	0	44	0.0	-58.30	323.36	4.84	-53.46
C[NH+](C)C1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019841796	1	44	0.0	-58.25	323.42	4.85	-53.40
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847202	0	44	0.0	-75.26	342.16	2.16	-73.10
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847202	1	44	0.0	-75.34	342.21	2.17	-73.17
CC(C)C1=[NH+]C=CN1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847242	1	41	0.0	-53.50	321.09	3.11	-50.39
O=C(C1C[NH+](C2CCOC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847244	1	42	0.0	-66.66	319.43	0.62	-66.04
O=C(C1C[NH+](C2CCOCC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847254	0	45	0.0	-66.74	339.08	1.29	-65.45
O=C(C1C[NH+](C2CCOCC2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847254	1	45	0.0	-66.76	339.01	1.28	-65.48
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847261	1	46	0.0	-58.82	354.48	4.83	-53.99
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847261	1	46	0.0	-58.96	354.50	4.82	-54.14
COCCOCC[N@H+](C)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847262	0	50	0.0	-63.66	383.39	1.06	-62.60
COCCOCC[N@@H+](C)CCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847262	1	50	0.0	-64.99	383.91	1.02	-63.97
COCCOCC[N@H+](C)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847262	1	50	0.0	-63.68	383.46	1.09	-62.59
COCCOCC[N@@H+](C)CCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847262	1	50	0.0	-64.97	383.97	1.03	-63.94
O=C(C1CCC2CCCC[N@@H+]21)N1CCOCC1C1=NN=N[N-]1	REAL300019847279	0	44	0.0	-56.59	314.85	2.86	-53.73
O=C(C1CCC2CCCC[N@H+]21)N1CCOCC1C1=NN=N[N-]1	REAL300019847279	1	44	0.0	-54.56	320.64	3.12	-51.44
O=C(C1CCCC2CCC[N@@H+]21)N1CCOCC1C1=NN=N[N-]1	REAL300019847387	0	44	0.0	-51.87	320.31	3.11	-48.76
O=C(C1CCCC2CCC[N@H+]21)N1CCOCC1C1=NN=N[N-]1	REAL300019847387	1	44	0.0	-55.72	308.27	2.50	-53.22
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847490	1	49	0.0	-64.63	367.57	3.92	-60.71
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847490	1	49	0.0	-56.36	366.17	3.30	-53.06
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019847492	0	51	0.0	-52.61	356.77	2.22	-50.39
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019847492	1	51	0.0	-52.58	356.84	2.25	-50.33
CN1CC[N@H+](C)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847497	0	45	0.0	-58.22	323.11	0.11	-58.11
CN1CC[N@@H+](C)CC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019847497	1	45	0.0	-58.38	320.72	0.46	-57.92
CN1CC[N@H+](C)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847497	1	45	0.0	-58.21	323.03	0.11	-58.10
CN1CC[N@@H+](C)CC(C(=O)N2CCOCC2C2=N[N-]N=N2)C1	REAL300019847497	1	45	0.0	-58.36	320.66	0.45	-57.91
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCOCC1C1=N[N-]N=N1	REAL300019849207	0	41	0.0	-85.57	323.25	-0.20	-85.77
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCOCC1C1=NN=N[N-]1	REAL300019849207	1	41	0.0	-85.59	323.32	-0.17	-85.76
CC1=[NH+]C=C2C=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=CN21	REAL300019849212	0	38	0.0	-65.07	304.50	3.28	-61.79
CC[N@@H+]1CCOCC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849222	1	44	0.0	-68.90	323.51	0.90	-68.00
CC[N@H+]1CCOCC1CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849222	1	44	0.0	-64.03	319.28	0.74	-63.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300019856339	0	53	0.0	-44.15	348.33	6.25	-37.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300019856339	1	53	0.0	-44.16	348.39	6.25	-37.91
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=C2)=N1	REAL300019856345	1	52	0.0	-65.63	409.99	6.95	-58.68
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300019856349	0	53	0.0	-59.07	384.54	7.65	-51.42
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300019856349	1	53	0.0	-59.96	384.54	7.64	-52.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300019856349	1	53	0.0	-59.09	384.60	7.67	-51.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300019856349	1	53	0.0	-59.96	384.60	7.66	-52.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300019858245	0	48	0.0	-53.05	351.36	6.61	-46.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300019858245	1	48	0.0	-50.93	342.47	6.36	-44.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1	REAL300019858310	0	54	0.0	-70.22	399.01	6.22	-64.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300019858310	1	54	0.0	-58.76	393.26	6.24	-52.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1	REAL300019858310	1	54	0.0	-70.19	398.96	6.20	-63.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300019858310	1	54	0.0	-58.76	393.21	6.22	-52.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300019858311	0	60	0.0	-55.42	427.45	7.40	-48.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300019858311	1	60	0.0	-70.52	436.34	7.29	-63.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300019858311	1	60	0.0	-55.41	427.39	7.39	-48.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300019858311	1	60	0.0	-70.56	436.29	7.27	-63.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019858327	0	48	0.0	-67.51	368.98	5.60	-61.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019858327	1	48	0.0	-67.52	369.04	5.61	-61.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=C[NH+]=C1C(C)C	REAL300019858382	1	45	0.0	-48.03	349.38	6.64	-41.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[NH+](C2CCOC2)C1	REAL300019858384	1	46	0.0	-61.11	348.30	4.21	-56.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C12CCC[NH+](CCC1)C2	REAL300019858388	0	48	0.0	-62.66	330.44	5.93	-56.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C12CCC[NH+](CCC1)C2	REAL300019858388	1	48	0.0	-62.67	330.38	5.92	-56.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[NH+](C2CCOCC2)C1	REAL300019858396	0	49	0.0	-56.96	367.99	4.96	-52.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[NH+](C2CCOCC2)C1	REAL300019858396	1	49	0.0	-56.96	367.94	4.95	-52.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300019858404	1	50	0.0	-53.44	383.77	8.36	-45.08
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300019858404	1	50	0.0	-55.55	382.64	8.37	-47.18
COCCOCC[N@H+](C)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858405	0	54	0.0	-59.76	411.25	4.57	-55.19
COCCOCC[N@@H+](C)CCC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858405	1	54	0.0	-59.51	414.39	4.69	-54.82
COCCOCC[N@H+](C)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858405	1	54	0.0	-59.75	411.30	4.59	-55.16
COCCOCC[N@@H+](C)CCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858405	1	54	0.0	-59.49	414.44	4.70	-54.79
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300019858427	0	48	0.0	-50.60	350.01	6.80	-43.80
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O=C(C1C[NH+](C2CCOCC2)C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875613	0	50	0.0	-59.49	371.55	4.89	-54.60
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875621	1	51	0.0	-60.07	388.34	8.37	-51.70
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875621	1	51	0.0	-68.85	388.34	8.35	-60.50
COCCOCC[N@H+](C)CCC(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019875622	0	55	0.0	-59.51	417.28	4.56	-54.95
COCCOCC[N@@H+](C)CCC(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019875622	1	55	0.0	-59.95	417.34	4.59	-55.36
COCCOCC[N@H+](C)CCC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875622	1	55	0.0	-59.50	417.34	4.58	-54.92
COCCOCC[N@@H+](C)CCC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875622	1	55	0.0	-59.97	417.40	4.60	-55.37
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875645	1	46	0.0	-53.97	326.95	0.92	-53.05
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875645	1	46	0.0	-54.49	327.72	1.09	-53.40
O=C(C1CCC2CCCC[N@@H+]21)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875646	0	49	0.0	-51.48	348.88	6.40	-45.08
O=C(C1CCC2CCCC[N@H+]21)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875646	1	49	0.0	-51.07	348.75	6.40	-44.67
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019875702	0	61	0.0	-62.81	449.86	10.16	-52.65
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019875702	1	61	0.0	-73.73	454.01	10.36	-63.37
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875702	1	61	0.0	-62.81	449.92	10.17	-52.64
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875702	1	61	0.0	-73.73	454.07	10.37	-63.36
O=C(C1CCCC2CCC[N@@H+]21)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875784	0	49	0.0	-52.20	339.90	6.36	-45.84
O=C(C1CCCC2CCC[N@H+]21)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875784	1	49	0.0	-51.97	342.81	6.11	-45.86
CC1C[N@H+](C)CC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)O1	REAL300019875786	1	46	0.0	-75.95	337.51	4.93	-71.02
CC1C[N@@H+](C)CC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)O1	REAL300019875786	1	46	0.0	-63.22	343.22	4.89	-58.33
C[N@@H+]1CCCC1CCC(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019875789	0	48	0.0	-59.12	356.50	6.46	-52.66
C[N@H+]1CCCC1CCC(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019875789	1	48	0.0	-58.25	352.90	6.29	-51.96
C[N@@H+]1CCCC1CCC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875789	1	48	0.0	-59.11	356.56	6.47	-52.64
C[N@H+]1CCCC1CCC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875789	1	48	0.0	-58.26	352.96	6.31	-51.95
C[N@H+](CC(=O)N1CCC(CC2=NN=N[N-]2)CC1)CC(C)(C)C	REAL300019875809	0	50	0.0	-65.13	357.04	6.31	-58.82
C[N@@H+](CC(=O)N1CCC(CC2=NN=N[N-]2)CC1)CC(C)(C)C	REAL300019875809	1	50	0.0	-55.29	358.99	6.47	-48.82
CC(C)(C(=O)N1CCC(CC2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300019875902	0	51	0.0	-60.78	352.05	6.47	-54.31
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019875922	1	54	0.0	-57.93	401.36	7.47	-50.46
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019875922	1	54	0.0	-58.49	407.46	7.31	-51.18
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875924	0	56	0.0	-62.47	401.04	6.11	-56.36
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019875930	0	52	0.0	-58.34	360.95	4.51	-53.83
CN1CC[N@H+](C)CC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300019875931	0	50	0.0	-63.74	359.28	3.80	-59.94
CN1CC[N@@H+](C)CC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300019875931	1	50	0.0	-63.92	359.13	3.82	-60.10
CN1CC[N@H+](C)CC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019875931	1	50	0.0	-63.70	359.34	3.82	-59.88
CN1CC[N@@H+](C)CC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019875931	1	50	0.0	-63.91	359.19	3.84	-60.07
C[NH+](C)CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCCC1	REAL300019884278	0	54	0.0	-72.09	364.30	7.31	-64.78
C[NH+](C)CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCCC1	REAL300019884278	1	54	0.0	-72.12	364.37	7.33	-64.79
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=C2)=N1	REAL300019884285	1	53	0.0	-74.53	420.53	7.11	-67.42
C[N@H+](CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCCCC1	REAL300019884289	0	54	0.0	-66.67	387.56	7.55	-59.12
C[N@@H+](CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1CCCCC1	REAL300019884289	1	54	0.0	-67.11	387.55	7.55	-59.56
C[N@H+](CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCCCC1	REAL300019884289	1	54	0.0	-66.65	387.62	7.56	-59.09
C[N@@H+](CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCCCC1	REAL300019884289	1	54	0.0	-67.13	387.61	7.56	-59.57
O=C(C1CC[N@@H+]1C1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886259	0	49	0.0	-64.20	360.89	6.79	-57.41
O=C(C1CC[N@H+]1C1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886259	1	49	0.0	-62.85	359.01	6.69	-56.16
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019886327	0	55	0.0	-77.98	415.66	6.69	-71.29
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019886327	1	55	0.0	-73.93	400.88	6.38	-67.55
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019886327	1	55	0.0	-77.93	415.59	6.67	-71.26
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019886327	1	55	0.0	-73.94	400.81	6.37	-67.57
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886346	0	49	0.0	-73.47	377.34	5.83	-67.64
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886346	1	49	0.0	-73.44	377.40	5.84	-67.60
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886401	1	46	0.0	-60.13	355.38	6.65	-53.48
O=C(C1C[NH+](C2CCOC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886402	1	47	0.0	-66.77	353.58	4.11	-62.66
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300019886406	0	49	0.0	-76.29	336.72	5.55	-70.74
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CCC[NH+](CCC1)C2	REAL300019886406	1	49	0.0	-76.29	336.78	5.56	-70.73
O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886415	0	50	0.0	-70.72	372.19	4.89	-65.83
O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886415	1	50	0.0	-70.73	372.24	4.91	-65.82
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886423	1	51	0.0	-66.79	388.31	8.34	-58.45
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886423	1	51	0.0	-66.89	388.32	8.34	-58.55
COCCOCC[N@H+](C)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886424	0	55	0.0	-66.94	417.35	4.56	-62.38
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886424	1	55	0.0	-67.13	417.39	4.57	-62.56
COCCOCC[N@H+](C)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886424	1	55	0.0	-66.92	417.41	4.58	-62.34
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886424	1	55	0.0	-67.16	417.45	4.59	-62.57
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886447	0	46	0.0	-62.77	330.21	1.31	-61.46
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886447	1	46	0.0	-60.55	331.62	1.41	-59.14
O=C(C1CCC2CCCC[N@@H+]21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886448	0	49	0.0	-58.03	356.17	6.71	-51.32
O=C(C1CCC2CCCC[N@H+]21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886448	1	49	0.0	-57.92	348.80	6.40	-51.52
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886504	0	61	0.0	-70.76	449.95	10.16	-60.60
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886504	1	61	0.0	-69.36	455.08	10.41	-58.95
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886504	1	61	0.0	-70.77	450.01	10.18	-60.59
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886504	1	61	0.0	-69.39	455.14	10.43	-58.96
O=C(C1CCCC2CCC[N@@H+]21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886586	0	49	0.0	-59.63	342.77	6.06	-53.57
O=C(C1CCCC2CCC[N@H+]21)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886586	1	49	0.0	-57.92	342.37	5.93	-51.99
CC1C[N@H+](C)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886588	1	46	0.0	-78.06	336.02	4.46	-73.60
CC1C[N@@H+](C)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019886588	1	46	0.0	-70.50	336.37	4.71	-65.79
C[N@@H+]1CCCC1CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886591	0	48	0.0	-67.15	356.50	6.43	-60.72
C[N@H+]1CCCC1CCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886591	1	48	0.0	-65.32	351.06	5.94	-59.38
C[N@@H+]1CCCC1CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886591	1	48	0.0	-67.15	356.56	6.44	-60.71
C[N@H+]1CCCC1CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886591	1	48	0.0	-65.36	351.12	5.96	-59.40
C[N@H+](CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)CC(C)(C)C	REAL300019886611	0	50	0.0	-63.14	356.98	6.29	-56.85
C[N@@H+](CC(=O)N1CCCC(CC2=N[N-]N=N2)C1)CC(C)(C)C	REAL300019886611	1	50	0.0	-62.63	358.93	6.45	-56.18
C[N@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)CC(C)(C)C	REAL300019886611	1	50	0.0	-63.14	357.04	6.31	-56.83
C[N@@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)CC(C)(C)C	REAL300019886611	1	50	0.0	-62.67	358.99	6.47	-56.20
CC(C)(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)[NH+]1CCCCC1	REAL300019886704	0	51	0.0	-57.63	352.31	6.14	-51.49
CC(C)(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019886704	1	51	0.0	-57.66	352.37	6.14	-51.52
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886724	1	54	0.0	-64.81	407.48	7.29	-57.52
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886724	1	54	0.0	-64.88	407.50	7.29	-57.59
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886726	0	56	0.0	-67.37	400.33	6.06	-61.31
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886726	1	56	0.0	-67.45	400.39	6.07	-61.38
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886732	0	52	0.0	-65.64	360.88	4.47	-61.17
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886732	1	52	0.0	-65.59	360.95	4.49	-61.10
CN1CC[N@H+](C)CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886733	0	50	0.0	-57.57	361.55	3.90	-53.67
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019886733	1	50	0.0	-58.69	359.22	3.80	-54.89
CN1CC[N@H+](C)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886733	1	50	0.0	-57.62	361.61	3.91	-53.71
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019886733	1	50	0.0	-58.73	359.29	3.82	-54.91
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL300019896207	0	40	0.0	-54.98	319.09	5.59	-49.39
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL300019896207	1	40	0.0	-53.49	319.48	5.60	-47.89
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL300019896207	1	40	0.0	-54.96	319.04	5.59	-49.37
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C12CC[N@@H+](C1)CCC2	REAL300019896207	1	40	0.0	-53.48	319.44	5.58	-47.90
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896240	1	43	0.0	-46.52	363.42	7.59	-38.93
C[NH+](C)CC1(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019896337	0	39	0.0	-49.67	322.94	6.11	-43.56
C[NH+](C)CC1(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019896337	1	39	0.0	-49.68	322.97	6.11	-43.57
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019896355	0	43	0.0	-51.84	364.95	6.58	-45.26
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896390	1	40	0.0	-43.56	344.22	7.15	-36.41
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C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896400	1	36	0.0	-45.86	303.42	5.39	-40.47
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896400	1	36	0.0	-42.90	297.87	4.95	-37.95
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896401	1	36	0.0	-48.23	297.83	4.93	-43.30
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C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896410	1	45	0.0	-50.58	377.60	8.85	-41.73
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896410	1	45	0.0	-51.67	376.59	8.83	-42.84
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896411	0	49	0.0	-52.05	405.59	4.98	-47.07
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896411	1	49	0.0	-53.67	405.60	5.00	-48.67
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896411	1	49	0.0	-52.09	405.63	4.99	-47.10
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896411	1	49	0.0	-53.69	405.65	5.01	-48.68
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC2CCCC[N@@H+]21	REAL300019896427	0	43	0.0	-41.87	346.35	7.35	-34.52
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CC1=C[NH+]=CN1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896467	1	34	0.0	-49.01	308.23	6.76	-42.25
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCC2CCC[N@@H+]21	REAL300019896529	0	43	0.0	-43.71	335.84	6.98	-36.73
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCC2CCC[N@H+]21	REAL300019896529	1	43	0.0	-44.98	334.35	6.94	-38.04
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019896530	1	40	0.0	-52.94	329.59	5.43	-47.51
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019896530	1	40	0.0	-52.90	329.61	5.43	-47.47
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896532	0	42	0.0	-51.92	344.83	6.88	-45.04
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896532	1	42	0.0	-51.70	340.12	6.43	-45.27
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896532	1	42	0.0	-51.88	344.79	6.88	-45.00
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896532	1	42	0.0	-51.68	340.07	6.43	-45.25
C[N@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019896549	0	44	0.0	-46.65	344.04	6.77	-39.88
C[N@@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019896549	1	44	0.0	-47.04	348.29	6.93	-40.11
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896559	0	39	0.0	-46.44	332.39	6.27	-40.17
C=C(CC[NH+](C)C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896559	1	39	0.0	-46.49	332.44	6.28	-40.21
C[NH+]1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019896625	0	39	0.0	-54.93	322.36	6.03	-48.90
C[NH+]1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019896625	1	39	0.0	-54.83	322.33	6.03	-48.80
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC([NH+]2CCOCC2)CC1	REAL300019896633	0	50	0.0	-56.24	390.00	6.68	-49.56
CC[C@@H](C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019896636	0	38	0.0	-47.13	308.84	5.42	-41.71
CC[C@H](C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019896638	0	38	0.0	-46.56	307.88	5.46	-41.10
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019896642	0	44	0.0	-49.32	350.09	4.57	-44.75
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019896642	1	44	0.0	-48.54	349.25	4.16	-44.38
CN1CC[N@H+](C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019896642	1	44	0.0	-49.36	350.05	4.57	-44.79
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019896642	1	44	0.0	-48.51	349.21	4.15	-44.36
C[NH+](C)CC1(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CCCCC1	REAL300019903519	0	48	0.0	-72.59	332.36	5.30	-67.29
C[NH+](C)CC1(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CCCCC1	REAL300019903519	1	48	0.0	-72.60	332.41	5.31	-67.29
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C2)=N1	REAL300019903524	1	47	0.0	-74.07	381.94	5.51	-68.56
C[N@H+](CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCCCC1	REAL300019903528	0	48	0.0	-65.52	353.24	6.01	-59.51
C[N@@H+](CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1)C1CCCCC1	REAL300019903528	1	48	0.0	-64.76	353.25	6.01	-58.75
C[N@H+](CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCCCC1	REAL300019903528	1	48	0.0	-65.55	353.30	6.03	-59.52
C[N@@H+](CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1)C1CCCCC1	REAL300019903528	1	48	0.0	-64.79	353.30	6.03	-58.76
C[NH+](C)CCC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019904254	0	45	0.0	-85.23	351.54	6.29	-78.94
C[NH+](C)CCC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019904254	1	45	0.0	-85.22	351.59	6.32	-78.90
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904285	1	42	0.0	-73.24	336.45	4.81	-68.43
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C1N2	REAL300019904329	1	47	0.0	-63.98	357.29	5.31	-58.67
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=CC=C1N2	REAL300019904329	1	47	0.0	-65.32	358.41	5.36	-59.96
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904375	0	47	0.0	-78.69	351.73	5.79	-72.90
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904375	1	47	0.0	-78.74	351.78	5.81	-72.93
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904380	0	46	0.0	-65.65	354.92	6.70	-58.95
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904380	1	46	0.0	-64.92	358.03	6.79	-58.13
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904380	1	46	0.0	-65.63	354.87	6.68	-58.95
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904380	1	46	0.0	-64.90	357.98	6.76	-58.14
O=C(C1C[NH+](C2CCCCC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904455	0	46	0.0	-64.33	346.40	5.75	-58.58
O=C(C1C[NH+](C2CCCCC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904455	1	46	0.0	-64.35	346.35	5.72	-58.63
CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904462	0	50	0.0	-68.01	366.22	3.35	-64.66
CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904462	1	50	0.0	-68.00	366.28	3.37	-64.63
CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019904465	0	53	0.0	-69.83	387.70	4.15	-65.68
CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019904465	1	53	0.0	-69.87	387.76	4.18	-65.69
C[NH+](C)CCN1C=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019904487	0	42	0.0	-76.98	333.78	3.52	-73.46
C[NH+](C)CCN1C=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019904487	1	42	0.0	-76.99	333.72	3.50	-73.49
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904498	0	49	0.0	-73.39	370.67	7.31	-66.08
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904498	1	49	0.0	-73.39	370.72	7.33	-66.06
C[NH+](C)CCN1C=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019904573	0	42	0.0	-85.64	336.59	4.14	-81.50
C[NH+](C)CCN1C=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019904573	1	42	0.0	-85.66	336.54	4.12	-81.54
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904574	0	42	0.0	-58.14	329.23	3.59	-54.55
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904574	1	42	0.0	-58.12	329.17	3.57	-54.55
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904623	0	42	0.0	-63.07	326.12	2.75	-60.32
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904623	1	42	0.0	-63.07	326.07	2.72	-60.35
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C=C21	REAL300019904691	0	49	0.0	-55.06	382.05	4.14	-50.92
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C21	REAL300019904691	1	49	0.0	-55.07	382.11	4.14	-50.93
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904722	1	43	0.0	-59.71	340.76	5.62	-54.09
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904722	1	43	0.0	-59.73	340.82	5.65	-54.08
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904726	0	55	0.0	-63.83	410.54	3.11	-60.72
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904726	1	55	0.0	-63.86	410.60	3.13	-60.73
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904825	0	43	0.0	-40.87	331.45	3.65	-37.22
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904825	1	43	0.0	-40.85	331.51	3.65	-37.20
O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904869	0	44	0.0	-65.39	338.05	3.40	-61.99
O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904869	1	44	0.0	-65.37	337.99	3.37	-62.00
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904876	1	45	0.0	-60.56	354.00	6.83	-53.73
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904876	1	45	0.0	-60.69	354.00	6.84	-53.85
COCCOCC[N@H+](C)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904877	0	49	0.0	-65.10	383.06	3.02	-62.08
COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904877	1	49	0.0	-64.99	382.99	3.04	-61.95
COCCOCC[N@H+](C)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904877	1	49	0.0	-65.13	383.11	3.04	-62.09
COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904877	1	49	0.0	-64.99	383.04	3.06	-61.93
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019905069	1	48	0.0	-61.74	367.09	5.93	-55.81
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019905069	1	48	0.0	-58.05	365.68	5.33	-52.72
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905071	0	50	0.0	-52.95	355.68	4.21	-48.74
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905071	1	50	0.0	-52.99	355.74	4.22	-48.77
C[NH+](C)C1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019906382	0	59	0.0	-65.28	432.51	5.56	-59.72
C[NH+](C)C1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019906382	1	59	0.0	-65.35	432.57	5.58	-59.77
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906605	0	40	0.0	-81.18	321.99	1.78	-79.40
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906605	1	40	0.0	-81.23	322.05	1.79	-79.44
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)CCO1	REAL300019907202	1	50	0.0	-80.64	383.89	5.72	-74.92
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C=C2)CCO1	REAL300019907202	1	50	0.0	-82.31	376.51	5.65	-76.66
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019907304	0	59	0.0	-80.56	443.06	4.28	-76.28
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019907304	1	59	0.0	-80.57	443.11	4.30	-76.27
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019907319	0	48	0.0	-54.12	345.53	5.99	-48.13
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019907319	1	48	0.0	-53.05	346.60	6.20	-46.85
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019907319	1	48	0.0	-54.06	345.48	5.97	-48.09
CC(C)C[N@H+]1CCCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C1	REAL300019907319	1	48	0.0	-53.12	346.54	6.19	-46.93
CC(C)(C(=O)N1CCC(CC2=N[N-]N=N2)C1)[NH+]1CCCCC1	REAL300019914282	0	48	0.0	-54.08	337.24	6.09	-47.99
CC(C)(C(=O)N1CCC(CC2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019914282	1	48	0.0	-54.13	337.30	6.11	-48.02
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019914296	1	51	0.0	-60.39	388.53	6.26	-54.13
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019914296	1	51	0.0	-60.47	396.00	6.70	-53.77
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914298	0	53	0.0	-66.83	389.39	5.46	-61.37
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914298	1	53	0.0	-66.89	389.45	5.46	-61.43
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914305	0	49	0.0	-60.26	346.82	3.85	-56.41
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914305	1	49	0.0	-60.27	346.87	3.87	-56.40
CN1CC[N@H+](C)CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019914306	0	47	0.0	-59.71	349.68	3.24	-56.47
CN1CC[N@@H+](C)CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019914306	1	47	0.0	-60.58	347.31	3.15	-57.43
CN1CC[N@H+](C)CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019914306	1	47	0.0	-59.70	349.73	3.26	-56.44
CN1CC[N@@H+](C)CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019914306	1	47	0.0	-60.62	347.36	3.16	-57.46
O=C(N1CCC(CC2=NN=N[N-]2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019916422	0	44	0.0	-54.24	331.15	5.71	-48.53
O=C(N1CCC(CC2=NN=N[N-]2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019916422	1	44	0.0	-54.35	324.29	6.39	-47.96
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916442	0	43	0.0	-75.52	345.36	2.69	-72.83
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916442	1	43	0.0	-75.50	345.42	2.71	-72.79
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=CN21	REAL300019916450	0	40	0.0	-65.45	333.41	6.45	-59.00
CC[N@@H+]1CCOCC1CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916464	0	46	0.0	-62.39	341.37	3.65	-58.74
CC[N@H+]1CCOCC1CC(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916464	1	46	0.0	-61.95	341.24	3.59	-58.36
CC[N@@H+]1CCOCC1CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916464	1	46	0.0	-62.37	341.43	3.66	-58.71
CC[N@H+]1CCOCC1CC(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916464	1	46	0.0	-61.93	341.30	3.61	-58.32
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019917261	0	55	0.0	-63.68	417.34	9.27	-54.41
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019917261	1	55	0.0	-63.76	417.40	9.29	-54.47
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=C2)CCO1	REAL300019917262	1	53	0.0	-84.86	403.68	6.45	-78.41
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=C2)CCO1	REAL300019917262	1	53	0.0	-84.43	403.72	6.48	-77.95
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(CC3=N[N-]N=N3)C2)CC1	REAL300019917349	0	48	0.0	-56.22	346.79	5.97	-50.25
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(CC3=NN=N[N-]3)C2)CC1	REAL300019917349	1	48	0.0	-56.26	346.84	5.99	-50.27
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019917436	0	51	0.0	-56.63	365.21	6.90	-49.73
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C1	REAL300019917436	1	51	0.0	-60.01	378.57	6.85	-53.16
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019917436	1	51	0.0	-56.63	365.21	6.90	-49.73
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C1	REAL300019917436	1	51	0.0	-60.01	378.57	6.85	-53.16
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL300019921250	0	47	0.0	-54.18	382.52	8.30	-45.88
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC[NH+](C2CCSC2)CC1	REAL300019921250	1	47	0.0	-54.27	382.47	8.29	-45.98
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019921256	0	46	0.0	-51.07	382.15	8.82	-42.25
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019921256	1	46	0.0	-51.13	382.24	8.89	-42.24
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019921256	1	46	0.0	-51.12	382.11	8.82	-42.30
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019921256	1	46	0.0	-51.14	382.20	8.89	-42.25
CC(C)[NH+]1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921268	0	45	0.0	-49.29	357.12	7.26	-42.03
CC(C)[NH+]1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921268	1	45	0.0	-49.33	357.08	7.25	-42.08
C[N@H+](CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC1	REAL300019921309	1	39	0.0	-41.97	324.56	6.41	-35.56
C[N@@H+](CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC1	REAL300019921309	1	39	0.0	-42.84	324.69	6.42	-36.42
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1C[NH+](C2CCCCC2)C1	REAL300019921352	0	46	0.0	-47.73	370.83	7.75	-39.98
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1C[NH+](C2CCCCC2)C1	REAL300019921352	1	46	0.0	-46.38	369.78	7.71	-38.67
CC(C)[NH+]1CCN(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921357	0	50	0.0	-51.99	388.65	5.20	-46.79
CC(C)[NH+]1CCN(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921357	1	50	0.0	-52.00	388.70	5.21	-46.79
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921359	0	53	0.0	-51.66	415.28	6.40	-45.26
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921359	1	53	0.0	-51.65	415.31	6.40	-45.25
C[NH+](C)CCN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019921383	0	42	0.0	-63.31	362.79	5.92	-57.39
C[NH+](C)CCN1C=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019921383	1	42	0.0	-63.28	362.75	5.91	-57.37
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019921404	0	49	0.0	-58.24	398.15	9.76	-48.48
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019921404	1	49	0.0	-58.55	397.16	9.73	-48.82
C[NH+](C)CCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N1	REAL300019921485	0	42	0.0	-61.91	362.14	5.89	-56.02
C[NH+](C)CCN1C=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N1	REAL300019921485	1	42	0.0	-61.95	362.10	5.89	-56.06
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921486	0	42	0.0	-51.31	357.29	5.88	-45.43
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921486	1	42	0.0	-51.32	357.22	5.87	-45.45
CC[C@@H]1[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300019921492	0	42	0.0	-49.64	334.16	6.08	-43.56
CC[C@@H]1[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300019921492	1	42	0.0	-51.23	339.74	6.42	-44.81
CC[C@@H]1[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300019921492	1	42	0.0	-49.59	334.11	6.08	-43.51
CC[C@@H]1[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300019921492	1	42	0.0	-51.15	339.70	6.42	-44.73
C[C@@H]1[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300019921502	0	39	0.0	-48.58	314.39	5.43	-43.15
C[C@@H]1[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300019921502	1	39	0.0	-47.24	321.02	5.67	-41.57
C[C@@H]1[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300019921502	1	39	0.0	-48.57	314.35	5.43	-43.14
C[C@@H]1[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300019921502	1	39	0.0	-47.22	320.97	5.67	-41.55
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019921550	0	42	0.0	-54.04	357.42	5.12	-48.92
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019921550	1	42	0.0	-54.05	357.38	5.11	-48.94
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921583	1	42	0.0	-42.59	323.02	5.04	-37.55
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921583	1	42	0.0	-42.97	339.40	6.14	-36.83
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NN1	REAL300019921597	1	43	0.0	-61.90	364.24	5.48	-56.42
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=NN1	REAL300019921597	1	43	0.0	-60.82	358.49	4.93	-55.89
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL300019921618	0	40	0.0	-47.88	319.38	5.63	-42.25
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL300019921618	1	40	0.0	-51.78	319.53	5.62	-46.16
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL300019921618	1	40	0.0	-47.86	319.34	5.63	-42.23
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C12CC[N@@H+](C1)CCC2	REAL300019921618	1	40	0.0	-51.75	319.50	5.61	-46.14
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921651	1	43	0.0	-44.04	364.41	7.64	-36.40
C[NH+](C)CC1(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019921748	0	39	0.0	-42.10	324.51	6.08	-36.02
C[NH+](C)CC1(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019921748	1	39	0.0	-42.05	324.46	6.08	-35.97
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019921766	0	43	0.0	-51.07	364.94	6.59	-44.48
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921801	1	40	0.0	-41.60	344.22	7.16	-34.44
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1C[NH+](C2CCOC2)C1	REAL300019921802	1	41	0.0	-48.64	343.75	4.73	-43.91
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921811	1	36	0.0	-41.94	304.08	5.36	-36.58
C[N@H+]1CCC[C@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921811	1	36	0.0	-41.03	297.93	4.94	-36.09
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921812	1	36	0.0	-45.16	297.88	4.94	-40.22
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921812	1	36	0.0	-42.75	304.14	5.44	-37.31
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C12CC[NH+](CC1)C2	REAL300019921814	0	37	0.0	-50.65	309.99	4.95	-45.70
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C12CC[NH+](CC1)C2	REAL300019921814	1	37	0.0	-50.71	309.95	4.93	-45.78
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1C[NH+](C2CCOCC2)C1	REAL300019921815	0	44	0.0	-49.99	361.36	5.40	-44.59
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921821	1	45	0.0	-48.25	377.59	8.87	-39.38
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921821	1	45	0.0	-48.02	377.59	8.87	-39.15
COCCOCC[N@H+](C)CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921822	0	49	0.0	-49.81	406.56	5.01	-44.80
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921822	1	49	0.0	-50.57	405.59	5.02	-45.55
COCCOCC[N@H+](C)CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921822	1	49	0.0	-49.85	406.61	5.01	-44.84
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921822	1	49	0.0	-50.63	405.63	5.02	-45.61
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2CCCC[N@@H+]21	REAL300019921838	0	43	0.0	-38.43	341.50	6.94	-31.49
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC2CCCC[N@H+]21	REAL300019921838	1	43	0.0	-39.65	345.00	7.28	-32.37
CC1=C[NH+]=CN1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921878	1	34	0.0	-46.95	308.22	6.77	-40.18
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCC2CCC[N@@H+]21	REAL300019921940	0	43	0.0	-42.11	334.31	6.95	-35.16
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCCC2CCC[N@H+]21	REAL300019921940	1	43	0.0	-39.32	342.29	7.23	-32.09
CC1C[N@H+](C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019921941	1	40	0.0	-51.64	329.99	5.50	-46.14
CC1C[N@@H+](C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019921941	1	40	0.0	-51.66	329.60	5.44	-46.22
C[N@@H+]1CCCC1CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921943	0	42	0.0	-50.35	344.83	6.89	-43.46
C[N@H+]1CCCC1CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921943	1	42	0.0	-50.12	340.08	6.42	-43.70
C[N@@H+]1CCCC1CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921943	1	42	0.0	-50.36	344.78	6.89	-43.47
C[N@H+]1CCCC1CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921943	1	42	0.0	-50.15	340.03	6.42	-43.73
C[N@H+](CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019921960	0	44	0.0	-44.39	343.98	6.77	-37.62
C[N@@H+](CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019921960	1	44	0.0	-44.58	348.29	6.94	-37.64
C=C(CC[NH+](C)C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921970	0	39	0.0	-45.79	332.39	6.28	-39.51
C=C(CC[NH+](C)C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921970	1	39	0.0	-45.73	332.43	6.29	-39.44
C[NH+]1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019922036	0	39	0.0	-52.89	322.83	6.07	-46.82
C[NH+]1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019922036	1	39	0.0	-52.93	322.79	6.07	-46.86
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CCC([NH+]2CCOCC2)CC1	REAL300019922044	0	50	0.0	-55.13	390.00	6.67	-48.46
CC[C@@H](C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019922047	0	38	0.0	-44.66	305.64	5.51	-39.15
CC[C@H](C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019922049	0	38	0.0	-44.11	307.87	5.47	-38.64
CN1CC[N@H+](C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019922053	0	44	0.0	-47.50	350.09	4.58	-42.92
CN1CC[N@@H+](C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019922053	1	44	0.0	-46.68	349.24	4.17	-42.51
CN1CC[N@H+](C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019922053	1	44	0.0	-47.47	350.04	4.58	-42.89
CN1CC[N@@H+](C)CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019922053	1	44	0.0	-46.71	349.19	4.16	-42.55
C[NH+](C)CCSCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923559	0	39	0.0	-55.77	345.32	6.36	-49.41
C[NH+](C)CCSCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923559	1	39	0.0	-55.73	345.36	6.35	-49.38
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019923562	1	41	0.0	-42.29	332.17	7.07	-35.22
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL300019923562	1	41	0.0	-40.42	335.47	7.54	-32.88
NC1=C(Br)C=[NH+]C=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923581	1	32	0.0	-39.97	304.31	3.56	-36.41
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019923582	0	40	0.0	-71.29	337.20	4.09	-67.20
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)=CN21	REAL300019923589	0	37	0.0	-48.28	330.05	7.69	-40.59
CC[N@@H+]1CCOCC1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923600	1	43	0.0	-51.87	341.15	4.71	-47.16
CC[N@H+]1CCOCC1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923600	1	43	0.0	-51.63	340.81	4.73	-46.90
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019924233	0	39	0.0	-52.57	328.10	6.15	-46.42
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019924233	1	39	0.0	-52.59	328.15	6.16	-46.43
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019924244	0	45	0.0	-52.10	350.52	7.09	-45.01
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019924244	1	45	0.0	-52.05	350.55	7.08	-44.97
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019924305	0	48	0.0	-46.38	369.67	8.28	-38.10
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019924305	1	48	0.0	-43.96	370.91	8.29	-35.67
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019924305	1	48	0.0	-46.32	369.61	8.28	-38.04
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019924305	1	48	0.0	-44.00	370.87	8.29	-35.71
CC[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019924306	0	42	0.0	-49.55	339.46	6.66	-42.89
CC[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019924306	1	42	0.0	-44.00	334.67	6.90	-37.10
CC[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019924306	1	42	0.0	-49.55	339.42	6.66	-42.89
CC[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019924306	1	42	0.0	-43.98	334.62	6.89	-37.09
C[NH+]1CCC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC1	REAL300019926211	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	REAL300019926211	1	39	0.0	-52.81	327.35	6.17	-46.64
CC[C@@H](C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019926217	0	38	0.0	-44.48	310.20	5.62	-38.86
CC[C@H](C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019926218	0	38	0.0	-43.99	312.44	5.58	-38.41
CN1CC[N@H+](C)CC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019926219	0	44	0.0	-47.38	354.65	4.68	-42.70
CN1CC[N@@H+](C)CC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019926219	1	44	0.0	-46.58	353.80	4.27	-42.31
CN1CC[N@H+](C)CC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C1	REAL300019926219	1	44	0.0	-47.38	354.61	4.68	-42.70
CN1CC[N@@H+](C)CC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C1	REAL300019926219	1	44	0.0	-46.55	353.77	4.27	-42.28
O=C(C1=CC(Cl)=NC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931202	1	35	0.0	-10.62	319.33	3.73	-6.89
CC(CCC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019931203	1	45	0.0	-12.74	349.46	7.02	-5.72
O=C(C1=CC=C(CCC(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931204	1	42	0.0	-12.52	349.50	6.62	-5.90
CC(C)(C)OC(=O)N(CC(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL300019931205	1	50	0.0	-15.20	384.70	5.40	-9.80
CCC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(OC)C=C1	REAL300019931206	1	49	0.0	-11.76	376.31	6.25	-5.51
O=C(C1=CC=CC2=C1OC(=O)N2)N1CCN(C2=NNN=N2)CC1	REAL300019931207	1	36	0.0	-23.35	300.27	1.58	-21.77
CC(C)(C)C1CCC(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931208	1	54	0.0	-10.02	380.92	7.34	-2.68
CC1=CC=C(F)C(OCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931209	1	40	0.0	-18.94	328.84	5.74	-13.20
CC1=CC(OCC(=O)N2CCN(C3=NNN=N3)CC2)=CC(C)=C1Cl	REAL300019931210	1	43	0.0	-15.14	355.33	6.66	-8.48
O=C(COC1=CC=C2CCCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931211	1	47	0.0	-15.32	363.93	7.49	-7.83
O=C(CCCOC1=CC=C2CCCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931212	1	53	0.0	-15.11	406.38	7.96	-7.15
CN(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019931213	1	41	0.0	-14.59	326.55	4.54	-10.05
CCOC(=O)NCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931214	1	43	0.0	-14.91	347.27	1.54	-13.37
CC1(C)CCCCC1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931215	1	48	0.0	-10.15	338.85	5.96	-4.19
O=C(CC1CSCCS1)N1CCN(C2=NNN=N2)CC1	REAL300019931216	1	38	0.0	-12.96	314.69	4.94	-8.02
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019931217	1	44	0.0	-14.62	357.27	0.17	-14.45
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)[NH+]1CCSCC1	REAL300019931218	1	42	0.0	-59.00	320.74	4.72	-54.28
NC(=O)C1=CN=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019931219	1	36	0.0	-15.56	311.92	0.23	-15.33
O=C(C1=C2CCCCN2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931220	1	40	0.0	-11.92	311.96	3.42	-8.50
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC=C(C)C=C21	REAL300019931221	1	43	0.0	-10.56	346.02	5.34	-5.22
O=C(CC1=CNC2=CC(Br)=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019931223	1	40	0.0	-15.26	345.47	5.74	-9.52
O=C(CC1=CSC2=CC=C(Cl)C=C12)N1CCN(C2=NNN=N2)CC1	REAL300019931224	1	39	0.0	-13.22	345.39	6.93	-6.29
CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931225	1	56	0.0	-13.92	400.08	5.08	-8.84
CC(C)(C)OC(=O)N1CCCC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931226	1	56	0.0	-12.30	393.40	5.14	-7.16
O=C(N1CCN(C2=NNN=N2)CC1)C1(SC2=CC=CC=C2)CC1	REAL300019931227	1	41	0.0	-10.43	336.80	6.57	-3.86
CC(C(=O)N1CCN(C2=NNN=N2)CC1)S(=O)(=O)C1CCOCC1	REAL300019931228	1	46	0.0	-26.77	358.94	1.00	-25.77
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1CCC(C)C	REAL300019931229	1	48	0.0	-11.30	371.12	5.22	-6.08
O=C(C1=CC(F)=C(F)C=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019931230	1	33	0.0	-9.42	299.32	4.73	-4.69
O=C(CCC1=CC=C(F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019931231	1	39	0.0	-12.02	325.50	5.96	-6.06
CC(C)C1=CC=CC=C1OCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931232	1	49	0.0	-11.48	380.77	6.73	-4.75
CN1N=C2CCCCC2=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931233	1	43	0.0	-11.30	336.71	4.29	-7.01
O=C(C1=CSC(C2=CC=NC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931234	1	38	0.0	-11.08	326.96	3.90	-7.18
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931235	1	58	0.0	-15.58	414.75	3.69	-11.89
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931236	1	45	0.0	-15.99	370.61	4.30	-11.69
CCCC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CCO1	REAL300019931237	1	46	0.0	-12.05	347.74	4.46	-7.59
O=C(CCCC1=CSC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931238	1	39	0.0	-12.91	325.17	5.59	-7.32
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019931239	1	48	0.0	-15.73	380.03	2.99	-12.74
CC(C)(C)OC(=O)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931240	1	47	0.0	-21.75	365.75	3.59	-18.16
O=C(C1=CC=CC=C1N1C=CN=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931241	1	39	0.0	-22.40	316.74	4.02	-18.38
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC1CCCC1	REAL300019931242	1	51	0.0	-11.92	392.01	6.17	-5.75
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019931243	1	42	0.0	-15.54	361.75	5.87	-9.67
O=C(C1=NC2=NNN=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931245	1	34	0.0	-10.86	282.19	1.42	-9.44
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019931246	1	39	0.0	-21.05	351.10	6.61	-14.44
O=C(CC1=CC=C2CC(=O)NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931247	1	41	0.0	-16.35	334.21	3.49	-12.86
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(NC(=O)OC(C)(C)C)=N1	REAL300019931248	1	49	0.0	-15.34	395.11	3.53	-11.81
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931249	1	42	0.0	-10.77	344.96	5.86	-4.91
O=C(C1CCN2C(=CN=C2C2=CC=CC=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019931250	1	50	0.0	-16.17	386.39	7.62	-8.55
CCCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC=C1	REAL300019931251	1	49	0.0	-12.30	382.59	7.02	-5.28
O=C(C1=CN=C(OCC2CC2)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931252	1	43	0.0	-9.95	363.64	3.82	-6.13
O=C(C1=CSC(CC2=CC=CC(F)=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931253	1	42	0.0	-13.28	361.73	6.44	-6.84
CC1=CC=C(C(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931254	1	39	0.0	-8.76	320.95	5.69	-3.07
CN1N=NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CN=C21	REAL300019931255	1	37	0.0	-12.19	306.87	1.70	-10.49
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=CC(C#N)=C1	REAL300019931256	1	44	0.0	-16.18	365.43	6.62	-9.56
CO[C@@H](C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019931257	1	40	0.0	-14.04	318.58	4.83	-9.21
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1C	REAL300019931258	1	39	0.0	-12.00	319.18	5.67	-6.33
O=C(C1=CC2=NSN=C2C([N+](=O)[O-])=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931259	1	36	0.0	-16.46	319.53	3.14	-13.32
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019931260	1	43	0.0	-11.09	353.08	6.82	-4.27
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931261	1	45	0.0	-12.25	378.33	7.36	-4.89
O=C(C1=CC2=NNN=C2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931262	1	34	0.0	-13.82	282.90	0.60	-13.22
O=C(CN1C=NC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019931263	1	39	0.0	-20.65	320.00	6.08	-14.57
CCC1=NC2=CC=CC=C2N1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931264	1	45	0.0	-20.30	361.69	6.46	-13.84
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CC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019931330	1	38	0.0	-14.57	314.30	4.50	-10.07
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CC(CC(=O)N1CCN(C2=NNN=N2)CC1)CC1=CC=C(Cl)C=C1	REAL300019931336	1	45	0.0	-13.12	364.62	7.59	-5.53
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CC(O)C(NC(=O)C1CC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931340	1	44	0.0	-10.21	339.46	-0.14	-10.35
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CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)O2)=C1	REAL300019931344	1	49	0.0	-9.57	388.67	8.08	-1.49
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1N=NN=C1C(C)(C)C	REAL300019931348	1	46	0.0	-23.03	352.37	3.14	-19.89
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CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931350	1	49	0.0	-21.85	396.91	3.14	-18.71
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=C(F)C=C1	REAL300019931351	1	43	0.0	-11.36	350.97	6.27	-5.09
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CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=CC(Cl)=C1	REAL300019931353	1	43	0.0	-12.25	361.33	6.75	-5.50
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CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931356	1	50	0.0	-12.87	397.95	8.04	-4.83
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CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931360	1	53	0.0	-16.06	414.37	5.32	-10.74
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CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931362	1	48	0.0	-13.17	375.42	6.68	-6.49
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CC1=CN2C(=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C2=O)S1	REAL300019931364	1	38	0.0	-19.79	329.49	4.00	-15.79
CCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(=O)N1	REAL300019931365	1	39	0.0	-14.61	320.01	2.44	-12.17
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CC(C)NC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931416	1	46	0.0	-17.76	364.32	3.92	-13.84
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COC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019931447	1	40	0.0	-14.28	318.94	4.85	-9.43
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Br	REAL300019931448	1	36	0.0	-9.97	307.38	5.24	-4.73
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CC(C)CC1=CC=C(C(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931451	1	51	0.0	-10.22	390.25	8.16	-2.06
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CCOC(=O)C1=CN=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931455	1	44	0.0	-10.29	358.22	4.44	-5.85
CC1=C(C#N)C(CC(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019931456	1	36	0.0	-15.66	310.57	3.69	-11.97
CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1CCC2=CC=CC=C21	REAL300019931457	1	45	0.0	-11.12	335.98	4.40	-6.72
CN1C(=O)OC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C21	REAL300019931458	1	39	0.0	-24.44	322.18	4.03	-20.41
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CC(=O)C1=CC=C(OC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)C=C1	REAL300019931463	1	49	0.0	-15.51	398.01	7.37	-8.14
CC1=NC2=CC=NN2C(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931464	1	41	0.0	-12.61	331.92	4.10	-8.51
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CC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019931467	1	36	0.0	-11.92	304.86	5.18	-6.74
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CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931470	1	49	0.0	-12.44	376.61	2.61	-9.83
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COC1=CC=C(CC(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931472	1	46	0.0	-11.58	357.45	5.42	-6.16
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CC(C)(C)SCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931474	1	45	0.0	-13.35	354.84	6.08	-7.27
CC(C)CC1=CC=C(CCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931475	1	54	0.0	-12.63	416.33	9.35	-3.28
CC1=NOC(C)=C1C(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931476	1	44	0.0	-12.54	339.07	4.92	-7.62
CC(C)(CCC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019931477	1	48	0.0	-12.54	361.22	7.24	-5.30
COC1=CC=C(CCCC(=O)N2CCN(C3=NNN=N3)CC2)C(OC)=C1	REAL300019931478	1	50	0.0	-15.73	392.98	5.32	-10.41
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931479	1	42	0.0	-20.85	349.24	2.44	-18.41
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931480	1	41	0.0	-18.38	332.88	0.87	-17.51
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CCC(CC)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(OC)C(OC)=C1	REAL300019931588	1	56	0.0	-14.78	403.32	5.58	-9.20
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CC1CCCN(C(=O)C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931591	1	43	0.0	-6.74	323.82	3.04	-3.70
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CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931595	1	50	0.0	-12.97	388.59	2.94	-10.03
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COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C#N	REAL300019933355	1	38	0.0	-14.70	316.71	3.73	-10.97
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC(Br)=C1F	REAL300019933356	1	36	0.0	-10.79	312.49	5.36	-5.43
CC1=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=CN2C=C1	REAL300019933357	1	39	0.0	-15.74	314.42	6.88	-8.86
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CC(C)C1=CC=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCCCC2)C=C1	REAL300019933368	1	58	0.0	-9.08	412.36	9.06	-0.02
CC(C)(CC(F)(F)F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933369	1	38	0.0	-13.88	291.37	4.02	-9.86
O=C(C1COCC1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933370	1	44	0.0	-11.53	332.97	4.39	-7.14
CN1N=CC(C2CC2)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933371	1	40	0.0	-10.76	325.04	4.04	-6.72
CC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC(F)(F)F	REAL300019933372	1	44	0.0	-11.14	367.03	6.10	-5.04
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019933373	1	52	0.0	-13.10	401.33	7.96	-5.14
COC1=NOC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933374	1	39	0.0	-13.24	321.62	1.46	-11.78
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CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC=CC1	REAL300019933376	1	49	0.0	-8.92	362.75	5.86	-3.06
CC(C)(C)OC(=O)C(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)(C)C	REAL300019933377	1	53	0.0	-14.58	381.83	7.02	-7.56
CC(C)(C)OC(=O)C(C(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL300019933378	1	48	0.0	-12.07	372.37	6.12	-5.95
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC2CCC1C2	REAL300019933379	1	55	0.0	-8.12	395.32	7.04	-1.08
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933380	1	54	0.0	-12.65	402.57	7.15	-5.50
C=C(C)CC(NC(C)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933381	1	43	0.0	-10.64	334.17	2.13	-8.51
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1(Br)Br	REAL300019933382	1	33	0.0	-7.83	296.61	4.23	-3.60
COC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC(F)(F)CC1	REAL300019933383	1	43	0.0	-8.60	319.38	3.37	-5.23
CN1C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C1=CC=CC=C1	REAL300019933384	1	44	0.0	-14.07	351.57	6.97	-7.10
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933386	1	43	0.0	-12.24	339.58	2.75	-9.49
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C1CCOCC1	REAL300019933387	1	51	0.0	-11.23	376.22	5.30	-5.93
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019933388	1	39	0.0	-9.53	329.85	5.33	-4.20
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(NCC(F)(F)F)=N1	REAL300019933389	1	43	0.0	-12.40	359.30	3.77	-8.63
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019933390	1	37	0.0	-12.54	312.37	4.35	-8.19
CC1(C)CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC(C)(C)C1	REAL300019933391	1	51	0.0	-9.80	364.40	6.39	-3.41
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CC(C)(C)N1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019933394	1	42	0.0	-11.20	344.06	4.04	-7.16
CC1=CC(F)=CC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933395	1	39	0.0	-9.58	317.15	5.35	-4.23
CN1N=CC(C2CCC2)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933396	1	43	0.0	-10.57	341.65	4.54	-6.03
C[C@@H](C(=O)N1CCN(C2=NNN=N2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019933397	1	49	0.0	-11.61	369.21	4.14	-7.47
COC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)O1	REAL300019933398	1	39	0.0	-11.11	325.92	3.73	-7.38
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CC(=CC(=O)N1CCN(C2=NNN=N2)CC1)CN1CCOCC1	REAL300019933404	1	46	0.0	-10.58	348.85	1.80	-8.78
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CN(C)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(C(F)(F)F)=C1	REAL300019933407	1	44	0.0	-9.77	357.67	5.42	-4.35
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933408	1	37	0.0	-11.10	322.18	5.44	-5.66
CC1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)SC(SCC(C)C)=N1	REAL300019933409	1	48	0.0	-14.14	402.02	6.30	-7.84
O=C(C1=NN2C=CC=NC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933410	1	34	0.0	-19.18	285.29	5.03	-14.15
CC1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=CC=C1Br	REAL300019933411	1	40	0.0	-11.37	336.97	5.64	-5.73
COC1=CC=CC=C1C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933412	1	40	0.0	-13.26	323.11	4.20	-9.06
CC1=NNC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019933413	1	39	0.0	-12.92	316.45	3.33	-9.59
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933414	1	38	0.0	-13.96	318.29	4.63	-9.33
NC(=O)N=NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933415	1	39	0.0	-17.79	328.18	-0.81	-18.60
O=C(C1=CNC(=S)N1C1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019933416	1	38	0.0	-17.93	318.29	4.40	-13.53
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933417	1	38	0.0	-11.05	319.50	1.94	-9.11
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933418	1	43	0.0	-15.51	367.79	4.36	-11.15
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933419	1	52	0.0	-19.47	407.90	6.92	-12.55
COCCCN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC1=O	REAL300019933420	1	45	0.0	-13.26	365.05	2.40	-10.86
CC(C)(C)N1C=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019933421	1	42	0.0	-11.52	349.28	5.07	-6.45
O=C(C1=C2C=CSC2=NC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933422	1	34	0.0	-10.35	293.37	4.03	-6.32
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019933423	1	50	0.0	-11.63	354.29	4.94	-6.69
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933424	1	35	0.0	-17.23	293.82	1.51	-15.72
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933425	1	61	0.0	-15.29	451.66	5.29	-10.00
CC(C)(C)OC(=O)CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019933426	1	55	0.0	-15.72	391.40	5.09	-10.63
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019933427	1	47	0.0	-14.36	372.38	5.56	-8.80
CC(C)C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933428	1	42	0.0	-10.32	325.87	5.94	-4.38
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933429	1	52	0.0	-17.01	407.71	6.93	-10.08
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933430	1	57	0.0	-19.79	420.98	6.39	-13.40
CC1=NN(C(C)CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933431	1	42	0.0	-13.03	331.19	4.11	-8.92
O=C(CCCC1=CC=CN=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933432	1	41	0.0	-15.53	330.01	4.88	-10.65
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C(F)(F)F	REAL300019933433	1	40	0.0	-12.41	334.03	4.42	-7.99
CC(C)(C)N1N=NC(CC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019933434	1	43	0.0	-18.15	345.65	2.66	-15.49
O=C(C1=CC=C2COCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933435	1	41	0.0	-12.29	319.48	4.07	-8.22
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933436	1	41	0.0	-9.32	339.06	4.06	-5.26
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019933437	1	36	0.0	-9.67	321.47	5.94	-3.73
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933438	1	44	0.0	-12.89	349.16	5.68	-7.21
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933439	1	42	0.0	-15.51	344.86	5.61	-9.90
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933440	1	52	0.0	-11.93	394.13	8.88	-3.05
COCC1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933441	1	39	0.0	-11.56	317.84	1.89	-9.67
O=C(N1CCN(C2=NNN=N2)CC1)C1(C(F)(F)F)CCCCC1	REAL300019933442	1	42	0.0	-8.18	308.59	4.57	-3.61
CN(C)C(=O)C1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933443	1	49	0.0	-16.02	363.80	4.27	-11.75
CC1=C(Br)C=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933444	1	35	0.0	-9.21	299.59	3.31	-5.90
CC(C)[C@@H](C(=O)N1CCN(C2=NNN=N2)CC1)N1CC2=CC=CC=C2C1=O	REAL300019933445	1	50	0.0	-25.11	377.17	8.02	-17.09
COC1=CC=C(OC(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933446	1	47	0.0	-14.22	348.71	4.47	-9.75
CC(C)CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Cl)C=C1	REAL300019933447	1	48	0.0	-11.27	381.80	7.90	-3.37
O=C(C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933448	1	43	0.0	-17.33	366.51	4.27	-13.06
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019933449	1	46	0.0	-16.11	362.53	4.32	-11.79
O=C(CC1=C(Cl)C=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019933450	1	36	0.0	-10.78	324.38	6.00	-4.78
COC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019933451	1	40	0.0	-14.36	335.28	4.83	-9.53
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933452	1	43	0.0	-12.56	340.51	5.81	-6.75
CCC(C(=O)N1CCN(C2=NNN=N2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019933453	1	52	0.0	-11.69	388.66	5.17	-6.52
O=C(CCC1CC1(Cl)Cl)N1CCN(C2=NNN=N2)CC1	REAL300019933454	1	36	0.0	-12.83	318.44	5.46	-7.37
O=C(C(CC1COCCO1)C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019933455	1	44	0.0	-12.89	345.98	3.11	-9.78
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCN(C2=NNN=N2)CC1	REAL300019933456	1	43	0.0	-13.96	355.03	5.16	-8.80
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933457	1	46	0.0	-12.32	355.35	3.25	-9.07
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933458	1	53	0.0	-18.09	402.06	5.17	-12.92
O=C(CC1=CC=C(Br)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019933459	1	36	0.0	-13.30	319.00	5.73	-7.57
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019933460	1	39	0.0	-18.16	326.33	4.01	-14.15
O=C(N1CCN(C2=NNN=N2)CC1)C1(N2C=NN=N2)CCOCC1	REAL300019933461	1	42	0.0	-10.44	319.33	2.17	-8.27
CC(C)N(CC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)OC(C)(C)C	REAL300019933462	1	52	0.0	-14.83	389.70	5.39	-9.44
CC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC(C)C	REAL300019933463	1	48	0.0	-15.76	372.85	6.50	-9.26
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019933464	0	51	0.0	-66.20	367.56	4.85	-61.35
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019933464	1	51	0.0	-67.71	374.43	5.38	-62.33
CC(C)[N@@H+]1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C2=CN(C)N=C2)C1	REAL300019933465	0	57	0.0	-68.03	424.03	6.76	-61.27
CC(C)[N@H+]1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C2=CN(C)N=C2)C1	REAL300019933465	1	57	0.0	-69.27	416.94	6.24	-63.03
CC(C)[N@@H+]1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C2=CN(C)N=C2)C1	REAL300019933465	1	57	0.0	-68.01	424.19	6.75	-61.26
CC(C)[N@H+]1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C(C2=CN(C)N=C2)C1	REAL300019933465	1	57	0.0	-69.25	417.10	6.23	-63.02
NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1CC1=CC=CC=C1	REAL300019933466	1	45	0.0	-12.29	364.10	4.59	-7.70
O=C(C1=C2CCCCN2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933467	1	41	0.0	-12.40	316.71	5.38	-7.02
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)=N1	REAL300019933468	1	46	0.0	-15.86	367.98	7.25	-8.61
CCNC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019933469	1	37	0.0	-11.52	310.46	1.98	-9.54
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CC=C(Br)C=C1	REAL300019933470	1	36	0.0	-7.99	320.84	5.63	-2.36
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933471	1	43	0.0	-11.12	337.47	6.90	-4.22
O=C(C1CC2=CC=CC=C2CO1)N1CCN(C2=NNN=N2)CC1	REAL300019933472	1	41	0.0	-13.24	320.49	5.36	-7.88
COC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCCC1	REAL300019933473	1	46	0.0	-12.31	341.49	5.19	-7.12
CC1CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2O1	REAL300019933474	1	41	0.0	-11.33	324.92	4.67	-6.66
O=C(C1CC2(C1)CCCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019933475	1	46	0.0	-10.19	337.74	6.20	-3.99
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933476	1	39	0.0	-10.56	328.47	6.77	-3.79
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCN(C2=NNN=N2)CC1	REAL300019933477	1	39	0.0	-23.00	340.39	5.81	-17.19
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C1=CN(C)N=C1	REAL300019933478	1	47	0.0	-14.72	378.25	5.87	-8.85
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019933479	1	42	0.0	-14.58	363.61	5.41	-9.17
COCC1=CSC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933480	1	37	0.0	-11.68	311.94	2.71	-8.97
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933481	0	45	0.0	-61.01	350.90	5.28	-55.73
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933482	1	47	0.0	-14.48	378.49	4.78	-9.70
NC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(Br)=N1	REAL300019933483	1	34	0.0	-10.38	298.48	1.50	-8.88
O=C(C1=NOC2=C1COCC2)N1CCN(C2=NNN=N2)CC1	REAL300019933484	1	37	0.0	-10.10	296.15	2.23	-7.87
CC1=CN2C=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=N1	REAL300019933485	1	39	0.0	-14.95	320.70	5.37	-9.58
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933486	1	47	0.0	-19.66	383.22	8.59	-11.07
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCN(C4=NNN=N4)CC3)=CNC2=C1	REAL300019933487	1	47	0.0	-18.73	372.09	3.67	-15.06
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933488	1	41	0.0	-18.91	332.18	2.84	-16.07
CNC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019933489	1	38	0.0	-12.69	307.44	2.91	-9.78
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300019933490	1	56	0.0	-21.31	425.06	2.32	-18.99
O=C(C1CCC2C(C1)C2(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019933491	1	40	0.0	-14.01	306.08	5.00	-9.01
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933492	1	44	0.0	-21.11	347.83	0.89	-20.22
COC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC(F)F	REAL300019933493	1	44	0.0	-17.77	360.80	4.56	-13.21
CC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019933494	1	39	0.0	-11.79	328.66	6.14	-5.65
O=C(C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1)N1CCOCC1	REAL300019933495	1	48	0.0	-17.48	371.23	3.45	-14.03
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933496	1	42	0.0	-19.37	345.51	4.49	-14.88
CC1=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=NC=C1Cl	REAL300019933497	1	38	0.0	-15.56	321.52	4.56	-11.00
NC1=C(Cl)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019933498	1	35	0.0	-9.53	311.58	3.08	-6.45
CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC(F)(F)CC1	REAL300019933499	1	45	0.0	-11.03	323.58	5.00	-6.03
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933500	1	36	0.0	-10.99	314.48	2.93	-8.06
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933501	1	45	0.0	-11.61	333.02	4.93	-6.68
O=C(N1CCN(C2=NNN=N2)CC1)C1(C(F)(F)F)CCOCC1	REAL300019933502	1	40	0.0	-8.68	300.16	2.22	-6.46
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019933503	1	36	0.0	-9.96	318.21	5.48	-4.48
CSCC[C@H](NC(N)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933504	1	42	0.0	-22.15	339.54	0.63	-21.52
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300019933505	1	46	0.0	-9.52	351.27	7.38	-2.14
CCCCCCCCCCCCC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933506	1	68	0.0	-10.39	491.73	11.04	0.65
CCN1C(=O)NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019933507	1	43	0.0	-15.33	347.67	3.86	-11.47
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933508	1	44	0.0	-16.46	352.74	4.51	-11.95
CC1(C)CCCC(O)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933509	1	46	0.0	-8.24	328.83	2.85	-5.39
COC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933510	1	44	0.0	-17.89	341.47	3.17	-14.72
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CC(=CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CS1	REAL300019933691	1	37	0.0	-8.78	309.67	5.39	-3.39
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CCC(NC1=CC=CN=C1Cl)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933695	1	43	0.0	-15.73	351.31	3.45	-12.28
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CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCCC1	REAL300019933697	1	57	0.0	-7.91	391.29	6.85	-1.06
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COC1=CC=CC(C(OC)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933701	1	44	0.0	-13.33	348.44	4.15	-9.18
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CC(=O)NC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL300019933728	1	39	0.0	-18.30	317.75	2.55	-15.75
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CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(C(F)(F)F)=N1	REAL300019933789	1	44	0.0	-17.02	344.13	5.04	-11.98
COC1=CC=C(F)C(OC)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933790	1	41	0.0	-13.33	340.41	3.07	-10.26
COC1=CC=NC(OC)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933791	1	40	0.0	-15.11	328.11	0.32	-14.79
COC(=O)C1=NN(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933792	1	39	0.0	-11.69	321.15	2.34	-9.35
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)C[C@H]1C	REAL300019933793	1	43	0.0	-18.89	340.67	4.36	-14.53
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933794	1	54	0.0	-10.83	417.05	8.29	-2.54
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933795	1	49	0.0	-12.53	384.97	5.73	-6.80
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O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019933797	1	41	0.0	-14.77	345.97	5.42	-9.35
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CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCN(C3=NNN=N3)CC1)OC2=O	REAL300019933799	1	46	0.0	-11.17	341.18	4.90	-6.27
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(C2=CC=CC=C2)O1	REAL300019933801	1	43	0.0	-11.14	347.65	6.67	-4.47
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CC1=CN(CC(=O)N2CCN(C3=NNN=N3)CC2)N=C1C(F)(F)F	REAL300019933804	1	39	0.0	-21.25	334.10	4.05	-17.20
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933805	1	43	0.0	-11.50	341.03	7.04	-4.46
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COC1=CC(CO)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933807	1	41	0.0	-15.37	329.61	1.01	-14.36
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NC1=C2N=CN(CCCCC(=O)N3CCN(C4=NNN=N4)CC3)C2=NC=N1	REAL300019933810	1	48	0.0	-18.40	388.78	6.02	-12.38
CC(C)(C(=O)N1CCN(C2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300019933811	0	47	0.0	-51.77	325.58	5.12	-46.65
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CC1CCC2=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CN2C1	REAL300019933817	1	43	0.0	-11.22	332.45	5.63	-5.59
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CC1=NC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019933820	1	36	0.0	-12.05	308.36	3.53	-8.52
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NC(=O)C1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019933822	1	39	0.0	-18.68	324.09	0.13	-18.55
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CCOC(=O)C1CCC[N@H+](CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933825	1	50	0.0	-62.91	375.77	6.35	-56.56
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933825	1	50	0.0	-63.07	381.89	6.20	-56.87
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CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933828	1	54	0.0	-22.00	423.13	7.29	-14.71
CN1CCOC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019933829	1	43	0.0	-12.62	331.63	2.59	-10.03
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CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933831	0	48	0.0	-57.60	337.76	3.37	-54.23
CN1CC[N@H+](C)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933832	0	46	0.0	-60.28	330.08	2.74	-57.54
CN1CC[N@@H+](C)CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019933832	1	46	0.0	-57.96	334.20	2.34	-55.62
CN1C=C(C2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019936202	1	43	0.0	-15.40	349.27	5.32	-10.08
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CN=C2C=C1	REAL300019936204	1	41	0.0	-12.20	330.90	4.97	-7.23
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COC1(C2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)COC1	REAL300019936206	1	45	0.0	-14.08	348.38	3.35	-10.73
COCCN1C=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C21	REAL300019936207	1	47	0.0	-13.96	377.87	5.76	-8.20
CC(C)N1C=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C21	REAL300019936208	1	46	0.0	-13.83	362.16	7.18	-6.65
C[C@@H](C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C=C1	REAL300019936209	1	39	0.0	-12.01	315.19	5.54	-6.47
CCC(CC(=O)N1CCN(C2=NNN=N2)CC1)CC(F)(F)F	REAL300019936210	1	41	0.0	-13.87	317.60	4.86	-9.01
O=C(C1=CC=NN1CC1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019936211	1	40	0.0	-10.90	317.32	4.22	-6.68
O=C(C1CCC(F)(F)CO1)N1CCN(C2=NNN=N2)CC1	REAL300019936212	1	37	0.0	-16.77	294.40	3.42	-13.35
O=C(C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936213	1	49	0.0	-10.02	388.83	8.84	-1.18
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCN(C2=NNN=N2)CC1	REAL300019936214	1	39	0.0	-10.86	336.21	5.34	-5.52
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCN(C2=NNN=N2)CC1	REAL300019936215	1	39	0.0	-10.48	346.54	5.79	-4.69
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCN(C2=NNN=N2)CC1	REAL300019936216	1	39	0.0	-10.80	346.43	5.79	-5.01
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCN(C4=NNN=N4)CC3)N2C)C=C1	REAL300019936217	1	52	0.0	-18.50	412.76	8.25	-10.25
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC(F)=CC(F)=C21	REAL300019936218	1	40	0.0	-9.71	334.54	4.68	-5.03
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936219	1	52	0.0	-13.90	410.26	3.53	-10.37
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936220	1	56	0.0	-12.95	419.13	4.30	-8.65
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019936221	1	33	0.0	-15.53	296.41	4.66	-10.87
COC(=O)CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019936222	1	42	0.0	-14.83	344.08	5.47	-9.36
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936223	1	59	0.0	-11.60	444.11	3.06	-8.54
NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(F)C(F)=C1F	REAL300019936224	1	35	0.0	-9.66	298.21	2.31	-7.35
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936225	1	56	0.0	-19.28	414.96	6.00	-13.28
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936226	1	50	0.0	-22.33	375.60	4.69	-17.64
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936227	1	58	0.0	-10.01	407.52	5.81	-4.20
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936228	1	59	0.0	-10.46	444.94	3.13	-7.33
O=C(C1=C(Br)C=CN=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019936229	1	32	0.0	-12.55	293.18	2.90	-9.65
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CO1	REAL300019936230	1	49	0.0	-11.38	391.81	0.40	-10.98
CN(C)C1=CC=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936231	1	41	0.0	-11.80	340.40	5.08	-6.72
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCN(C2=NNN=N2)CC1	REAL300019936232	1	43	0.0	-18.51	348.96	2.59	-15.92
O=C(C1=NN2CC(F)CC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936233	1	37	0.0	-12.00	300.38	3.33	-8.67
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C(F)(F)F	REAL300019936234	1	49	0.0	-10.31	376.88	3.36	-6.95
O=C(N1CCN(C2=NNN=N2)CC1)C12CCN(CCC1)S2(=O)=O	REAL300019936235	1	42	0.0	-21.12	318.88	0.26	-20.86
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936236	1	42	0.0	-18.26	348.59	2.97	-15.29
CC1=CC=CC(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CC2(F)F)=C1	REAL300019936237	1	43	0.0	-9.14	345.50	6.78	-2.36
O=C(C1=C(C2CC2)ON=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019936238	1	36	0.0	-9.79	322.97	4.64	-5.15
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCN(C2=NNN=N2)CC1	REAL300019936239	1	34	0.0	-11.25	300.31	3.21	-8.04
CC1=CC2=C(C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N2)O1	REAL300019936240	1	37	0.0	-13.44	300.53	3.40	-10.04
CC(C)C1=CNC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL300019936241	1	45	0.0	-20.14	354.61	4.95	-15.19
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCN(C2=NNN=N2)CC1	REAL300019936242	1	39	0.0	-13.73	335.99	4.23	-9.50
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019936243	1	35	0.0	-22.19	310.33	3.49	-18.70
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936244	1	56	0.0	-18.72	423.14	3.30	-15.42
C#CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCN(C(=O)OC(C)(C)C)C1	REAL300019936245	1	55	0.0	-20.97	416.08	5.47	-15.50
CCOC1=CC(Br)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N	REAL300019936246	1	42	0.0	-8.82	351.67	3.06	-5.76
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019936247	1	40	0.0	-12.76	337.90	6.87	-5.89
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936248	1	53	0.0	-13.97	405.87	2.07	-11.90
C=CCN(CCC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)OC(C)(C)C	REAL300019936249	1	53	0.0	-14.06	413.32	6.04	-8.02
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936250	1	56	0.0	-19.70	416.57	4.68	-15.02
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC2=CC=CC=C21	REAL300019936251	1	42	0.0	-11.10	328.14	6.82	-4.28
COC1=CC=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019936252	1	42	0.0	-11.77	340.03	2.63	-9.14
CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=C1CCOC2	REAL300019936253	1	41	0.0	-13.51	321.99	2.40	-11.11
CC1=CC=CC([C@@H](C)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936254	1	42	0.0	-10.79	330.20	6.14	-4.65
COC1=CC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019936255	1	39	0.0	-10.19	312.66	1.34	-8.85
CC1=CC=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCC(=O)CC2)C=C1	REAL300019936256	1	51	0.0	-12.29	375.92	6.87	-5.42
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCOCC2)CC1(F)F	REAL300019936257	1	44	0.0	-16.31	336.62	3.97	-12.34
O=C(C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936258	1	38	0.0	-15.28	338.14	4.40	-10.88
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019936259	1	41	0.0	-14.95	346.75	3.10	-11.85
CN1C(C(=O)N2CCN(C3=NNN=N3)CC2)=CC2=C1C=CS2	REAL300019936260	1	37	0.0	-10.86	306.15	4.65	-6.21
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1CC(F)F	REAL300019936261	1	39	0.0	-12.10	323.14	3.41	-8.69
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1CCC1	REAL300019936262	1	43	0.0	-11.45	335.54	4.47	-6.98
O=C(C1=C2CCCCC2=CN1)N1CCN(C2=NNN=N2)CC1	REAL300019936263	1	41	0.0	-10.54	320.00	4.39	-6.15
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)CO1	REAL300019936264	1	54	0.0	-18.35	408.95	1.75	-16.60
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936265	1	53	0.0	-13.00	402.54	1.52	-11.48
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936266	1	56	0.0	-17.44	419.78	5.83	-11.61
COC1(C(=O)N2CCN(C3=NNN=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019936267	1	51	0.0	-11.85	392.58	2.65	-9.20
CC(C)(C)OC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CC(C)(C)C1	REAL300019936268	1	59	0.0	-10.12	430.60	5.37	-4.75
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936269	1	57	0.0	-18.66	417.09	2.25	-16.41
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936270	1	59	0.0	-12.17	424.83	4.57	-7.60
CC1=NN(CC(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1C	REAL300019936271	1	42	0.0	-17.28	333.78	4.03	-13.25
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936272	1	56	0.0	-15.37	404.36	5.14	-10.23
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019936273	1	50	0.0	-11.60	388.85	2.77	-8.83
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936274	1	36	0.0	-15.31	314.09	5.31	-10.00
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300019936275	1	40	0.0	-15.30	338.33	6.47	-8.83
CC(=O)C1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019936276	1	34	0.0	-14.03	296.47	2.43	-11.60
COC1=NN(C)C(Br)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936277	1	37	0.0	-12.44	328.23	0.41	-12.03
CC(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019936278	1	40	0.0	-22.16	331.39	3.03	-19.13
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936279	1	57	0.0	-14.34	434.19	2.48	-11.86
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCN(C2=NNN=N2)CC1	REAL300019936280	1	36	0.0	-15.12	313.86	4.28	-10.84
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)CC1	REAL300019936281	1	46	0.0	-16.76	380.81	3.56	-13.20
CC1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)SC2=C(C)S1	REAL300019936282	1	39	0.0	-10.36	338.15	5.94	-4.42
O=C(C1CCCC2=NN=CN21)N1CCN(C2=NNN=N2)CC1	REAL300019936283	1	39	0.0	-20.00	305.37	4.82	-15.18
CC1(C)CCCC(CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019936284	1	46	0.0	-12.37	341.14	5.14	-7.23
COC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CN=C1	REAL300019936285	1	39	0.0	-17.43	313.95	3.05	-14.38
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936286	1	57	0.0	-15.69	417.46	5.88	-9.81
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936287	1	56	0.0	-16.41	411.52	3.80	-12.61
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936288	1	36	0.0	-12.91	337.41	6.50	-6.41
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019936289	1	45	0.0	-21.86	339.98	1.42	-20.44
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019936290	1	40	0.0	-17.48	331.90	6.54	-10.94
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCN(C2=NNN=N2)CC1)C3=O	REAL300019936291	1	49	0.0	-15.77	379.64	7.01	-8.76
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCN(C3=NNN=N3)CC1)=C2	REAL300019936292	1	47	0.0	-18.78	376.06	5.98	-12.80
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019936293	1	41	0.0	-20.29	339.02	5.00	-15.29
COC1=CC2=NC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C=C1	REAL300019936294	1	42	0.0	-14.14	335.66	3.69	-10.45
CCSC1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936295	1	46	0.0	-12.88	346.35	6.14	-6.74
CC1=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=CC(C)=N1	REAL300019936296	1	44	0.0	-12.73	351.75	5.32	-7.41
CC1=CC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1	REAL300019936297	1	42	0.0	-11.55	334.77	6.93	-4.62
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936298	1	56	0.0	-17.52	420.47	5.68	-11.84
O=C(CCC1=CC=CC(=O)N1)N1CCN(C2=NNN=N2)CC1	REAL300019936299	1	39	0.0	-18.34	318.33	2.66	-15.68
O=C(C1=CSC(Cl)=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936300	1	30	0.0	-12.71	290.79	4.18	-8.53
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936301	1	45	0.0	-18.40	359.68	3.47	-14.93
CC1=NN(C2CCC2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936302	1	43	0.0	-13.79	334.71	4.26	-9.53
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936303	1	40	0.0	-13.85	331.92	5.22	-8.63
O=C(C1=CNC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019936304	1	31	0.0	-16.03	274.57	2.55	-13.48
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936305	1	43	0.0	-23.22	365.50	4.03	-19.19
CCC1=C(C)SC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936306	1	39	0.0	-10.02	316.00	5.13	-4.89
O=C(C1CC(OC(F)(F)F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019936307	1	37	0.0	-9.43	310.03	2.84	-6.59
CS(=O)(=O)C1=COC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936308	1	36	0.0	-19.23	311.69	-0.27	-19.50
O=C(CC1=CC=C2COCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936309	1	44	0.0	-13.78	345.97	5.15	-8.63
O=C(CC1=CC=C2CCOCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936310	1	44	0.0	-14.39	345.96	5.15	-9.24
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936311	1	42	0.0	-13.58	342.73	5.74	-7.84
CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Br	REAL300019936312	1	35	0.0	-8.32	301.63	4.24	-4.08
COC1=CC(Br)=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936313	1	36	0.0	-11.14	313.15	3.82	-7.32
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CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CN(C)C1=O	REAL300019936320	1	39	0.0	-16.32	317.33	3.67	-12.65
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CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936322	1	54	0.0	-11.62	398.24	8.60	-3.02
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CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936325	1	41	0.0	-14.80	342.17	4.14	-10.66
CC1(C)CCC(=O)C2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019936326	1	48	0.0	-17.85	366.36	6.46	-11.39
CC1=CC(Cl)=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019936327	1	33	0.0	-11.53	294.50	4.35	-7.18
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CC(C)N1C=CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019936348	1	46	0.0	-11.56	361.61	7.16	-4.40
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CC12CCCN1S(=O)(=O)C(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019936352	1	45	0.0	-21.84	339.10	1.38	-20.46
CN1N=CC(C(F)F)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936353	1	36	0.0	-13.62	308.41	2.84	-10.78
CC1=NN(C2CCC2)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936354	1	43	0.0	-11.26	333.66	4.60	-6.66
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COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936356	1	44	0.0	-12.13	363.57	6.30	-5.83
CC1(C)CCCOC1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936357	1	46	0.0	-12.30	335.95	4.79	-7.51
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936358	1	39	0.0	-11.48	338.71	3.16	-8.32
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CC(=O)NC(COC(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936360	1	46	0.0	-16.63	357.01	2.24	-14.39
CC1(C)OCC(CCC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019936361	1	44	0.0	-11.79	344.01	3.23	-8.56
CCCCOC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019936362	1	50	0.0	-12.44	395.35	7.37	-5.07
COC1=CC2=CC=C(CC(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1	REAL300019936363	1	46	0.0	-15.29	367.71	6.60	-8.69
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936364	1	51	0.0	-9.25	377.68	7.72	-1.53
COC1=CC=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019936365	1	40	0.0	-11.20	339.49	4.66	-6.54
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936366	1	39	0.0	-10.73	332.61	1.96	-8.77
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936367	1	43	0.0	-21.73	360.50	3.65	-18.08
CC12CCC(C(=O)N3CCN(C4=NNN=N4)CC3)(CC1)OC2	REAL300019936368	1	44	0.0	-8.90	321.19	3.91	-4.99
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936369	1	33	0.0	-9.76	298.56	4.69	-5.07
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936370	1	39	0.0	-14.77	328.94	5.00	-9.77
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019936371	1	38	0.0	-10.46	317.40	4.59	-5.87
COC(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019936372	1	42	0.0	-15.51	351.68	4.39	-11.12
CC1=C(C)NC(=O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936373	1	39	0.0	-22.11	316.45	2.32	-19.79
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936374	1	42	0.0	-13.53	348.12	6.57	-6.96
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C(F)=C1	REAL300019936375	1	42	0.0	-13.65	339.78	6.42	-7.23
CC(C)(C)N1C=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019936376	1	45	0.0	-15.95	355.08	4.88	-11.07
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019936377	1	40	0.0	-15.50	332.85	4.14	-11.36
CC1=CC=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CC2)C(F)=C1	REAL300019936378	1	43	0.0	-15.65	343.02	6.62	-9.03
CCCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NN1CC	REAL300019936379	1	44	0.0	-10.54	341.76	3.66	-6.88
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2=NNC=N2)=N1	REAL300019936380	1	41	0.0	-16.78	348.51	3.38	-13.40
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CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936385	1	45	0.0	-14.02	365.58	2.75	-11.27
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936386	1	46	0.0	-17.75	378.72	6.64	-11.11
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CSC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019936389	1	39	0.0	-14.21	331.67	5.60	-8.61
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936390	1	43	0.0	-17.21	335.02	5.58	-11.63
C=C1CCC1(C(=O)OC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936391	1	40	0.0	-10.16	321.61	4.08	-6.08
NS(=O)(=O)C1=COC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936392	1	35	0.0	-18.20	305.46	-2.71	-20.91
N#CC1=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=NN2C=C1	REAL300019936393	1	37	0.0	-16.02	316.61	4.20	-11.82
O=C(C1=CC(Cl)=NN1C1=NC=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936394	1	39	0.0	-14.35	344.17	6.32	-8.03
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCN(C2=NNN=N2)CC1	REAL300019936395	1	43	0.0	-16.24	353.30	5.36	-10.88
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936396	1	47	0.0	-20.43	367.27	3.03	-17.40
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019936397	1	37	0.0	-10.37	317.75	3.23	-7.14
O=C(CCC1=C(Br)C=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019936399	1	36	0.0	-10.34	323.32	5.50	-4.84
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CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936402	1	54	0.0	-16.53	402.56	7.15	-9.38
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936403	1	42	0.0	-11.89	348.26	5.47	-6.42
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936404	1	40	0.0	-12.58	343.39	5.15	-7.43
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O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936408	1	40	0.0	-12.37	329.33	6.29	-6.08
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CS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019936413	1	39	0.0	-20.60	344.61	2.11	-18.49
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NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(F)C(Br)=C1F	REAL300019936415	1	35	0.0	-8.98	311.89	2.83	-6.15
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC(C2CC2)=NO1	REAL300019936416	1	41	0.0	-9.53	323.46	3.86	-5.67
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019936417	1	49	0.0	-11.30	391.59	2.51	-8.79
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CN(C)C1=CC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1	REAL300019936420	1	47	0.0	-12.50	366.46	6.70	-5.80
COC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019936421	1	54	0.0	-20.21	414.28	4.18	-16.03
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936423	1	54	0.0	-12.13	405.26	6.13	-6.00
C#CC1=CC=C(C2CC2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019936424	1	42	0.0	-13.05	346.88	7.57	-5.48
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2C=N1	REAL300019936425	1	41	0.0	-12.43	331.92	5.12	-7.31
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCC2)CC1(F)F	REAL300019936426	1	40	0.0	-14.53	314.41	5.54	-8.99
CN1N=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C(C3CC3)N=C21	REAL300019936427	1	45	0.0	-14.03	361.82	5.19	-8.84
O=C(N1CCN(C2=NNN=N2)CC1)C12CCC(C(F)(F)F)(CC1)C2	REAL300019936428	1	43	0.0	-11.60	332.91	5.42	-6.18
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936429	1	53	0.0	-17.17	400.92	3.46	-13.71
COC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C(OC)=C1OC	REAL300019936430	1	49	0.0	-16.70	393.72	4.80	-11.90
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936431	1	49	0.0	-15.56	377.30	3.76	-11.80
CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC(C)(C)C1	REAL300019936432	1	59	0.0	-11.24	431.80	4.25	-6.99
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)(C2CC2)C1	REAL300019936433	1	57	0.0	-19.57	413.34	5.95	-13.62
O=C(C1=C2C(=O)NCCN2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936434	1	38	0.0	-21.45	307.36	0.24	-21.21
CC=CC1=CC=C(OCC(=O)N2CCN(C3=NNN=N3)CC2)C(OC)=C1	REAL300019936435	1	48	0.0	-18.65	383.18	6.71	-11.94
O=C(C1CC(=O)CC12CCC2)N1CCN(C2=NNN=N2)CC1	REAL300019936436	1	42	0.0	-11.81	317.07	4.73	-7.08
CC1=CNC2=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019936437	1	39	0.0	-13.73	315.27	3.98	-9.75
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936438	1	57	0.0	-17.58	432.05	3.79	-13.79
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936439	1	57	0.0	-14.65	410.02	5.48	-9.17
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936440	1	40	0.0	-14.23	331.83	2.74	-11.49
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019936441	1	50	0.0	-11.83	378.98	6.86	-4.97
CC1=NN=C(CC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)O1	REAL300019936442	1	44	0.0	-15.83	362.78	1.43	-14.40
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936443	1	39	0.0	-14.28	331.77	6.79	-7.49
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936444	1	45	0.0	-16.96	368.67	7.95	-9.01
CC1=CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CN=C2C(F)=C1	REAL300019936445	1	41	0.0	-12.67	335.94	5.05	-7.62
CN1C=C(C2=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CO2)C=N1	REAL300019936446	1	39	0.0	-13.03	328.52	1.45	-11.58
COC1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=C(C)C=C1	REAL300019936447	1	44	0.0	-13.48	348.94	4.44	-9.04
CCCCOC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019936448	1	49	0.0	-13.78	386.64	6.88	-6.90
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019936449	1	50	0.0	-20.68	402.41	3.23	-17.45
COC1=NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1	REAL300019936450	1	42	0.0	-12.57	338.96	2.85	-9.72
CC1=CN2C(C(=O)N3CCN(C4=NNN=N4)CC3)=CN=C2S1	REAL300019936451	1	36	0.0	-13.83	304.85	4.34	-9.49
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936452	1	43	0.0	-12.00	361.37	5.39	-6.61
O=C(C1=CC(Cl)=C(Cl)S1)N1CCN(C2=NNN=N2)CC1	REAL300019936453	1	30	0.0	-9.39	289.70	4.08	-5.31
CC(C)(C)C1=CC=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936454	1	44	0.0	-10.25	339.03	5.43	-4.82
COC1CC2(C1)CCC(C(=O)N1CCN(C3=NNN=N3)CC1)CC2	REAL300019936455	1	50	0.0	-11.88	370.38	5.10	-6.78
CCCC(CCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936456	1	51	0.0	-12.49	385.87	8.15	-4.34
CCC(C)(C)C1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936457	1	54	0.0	-9.36	366.40	6.70	-2.66
CC1=CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CN=C2C=C1	REAL300019936458	1	41	0.0	-11.22	330.48	4.99	-6.23
CN1C=C(C2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=NO2)N=N1	REAL300019936459	1	38	0.0	-15.85	322.00	2.21	-13.64
O=C(C1CCC2(CC(=O)C2)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019936460	1	45	0.0	-14.99	340.44	5.25	-9.74
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936461	1	40	0.0	-17.48	321.70	3.73	-13.75
CCC(CCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936462	1	48	0.0	-12.25	370.96	7.66	-4.59
COC1(C(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019936463	1	43	0.0	-8.77	323.53	4.44	-4.33
O=C(CCC1=CC=C2CCOCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936464	1	47	0.0	-11.97	367.35	5.96	-6.01
O=C(C1CC12CCC(F)(F)CC2)N1CCN(C2=NNN=N2)CC1	REAL300019936465	1	43	0.0	-12.15	330.61	5.72	-6.43
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1Br	REAL300019936466	1	35	0.0	-9.21	301.98	4.15	-5.06
CN(C)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019936467	1	43	0.0	-14.12	347.80	5.31	-8.81
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019936468	1	37	0.0	-14.33	318.19	3.87	-10.46
COC(=O)C1=CSC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936469	1	36	0.0	-16.48	312.67	3.62	-12.86
CC(C)(C)C1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936470	1	44	0.0	-10.07	337.36	4.41	-5.66
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019936471	1	41	0.0	-10.44	353.12	6.06	-4.38
N#CC1=CC=C(C2=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=CO2)C=C1	REAL300019936472	1	40	0.0	-16.23	348.22	3.07	-13.16
COC1CC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019936473	1	46	0.0	-11.02	349.48	4.22	-6.80
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936474	1	57	0.0	-12.56	420.66	6.16	-6.40
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300019936475	1	43	0.0	-9.29	353.50	6.17	-3.12
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936476	1	53	0.0	-10.56	405.21	3.77	-6.79
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=NN21	REAL300019936477	1	47	0.0	-18.18	365.11	5.47	-12.71
O=C(N1CCN(C2=NNN=N2)CC1)C12CCCN1C(=O)CCCC2	REAL300019936478	1	47	0.0	-20.85	338.86	3.93	-16.92
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300019936479	1	43	0.0	-11.10	345.44	6.78	-4.32
O=C(C1CCC2(CC2(F)F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019936480	1	40	0.0	-12.08	316.39	5.26	-6.82
O=C(C1CCCC2C1C2(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936481	1	40	0.0	-10.02	308.99	5.06	-4.96
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936482	1	44	0.0	-14.58	342.97	5.67	-8.91
O=C(CCC1=CC=CC(Br)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019936483	1	39	0.0	-12.87	339.69	6.50	-6.37
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936484	1	51	0.0	-8.10	338.33	6.55	-1.55
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCN(C4=NNN=N4)CC3)C[C@@H]12	REAL300019936485	1	51	0.0	-12.95	394.29	3.68	-9.27
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)F)=NN1C	REAL300019936486	1	39	0.0	-16.43	326.65	3.21	-13.22
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936487	1	44	0.0	-21.70	341.30	3.09	-18.61
CCC1=CC=C(C(=O)C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019936488	1	38	0.0	-7.41	320.33	4.65	-2.76
COC1=CC(Br)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019936489	1	37	0.0	-10.50	322.30	4.00	-6.50
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936490	1	51	0.0	-12.72	392.74	3.62	-9.10
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936491	1	54	0.0	-17.59	407.29	5.35	-12.24
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C12COC2	REAL300019936492	1	55	0.0	-20.26	405.29	3.90	-16.36
CC1(C)OC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2NC1=O	REAL300019936494	1	45	0.0	-12.80	358.29	2.61	-10.19
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCN(C2=NNN=N2)CC1	REAL300019936495	1	41	0.0	-14.56	325.79	3.17	-11.39
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019936496	1	41	0.0	-13.62	342.11	2.95	-10.67
COC(=O)C1=CC=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C12	REAL300019936497	1	45	0.0	-13.14	361.03	6.77	-6.37
O=C(C1=CN=CC2=C1CCNC2=O)N1CCN(C2=NNN=N2)CC1	REAL300019936498	1	40	0.0	-13.64	319.75	0.54	-13.10
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NC=C1C(F)F	REAL300019936499	1	38	0.0	-11.71	312.26	4.51	-7.20
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCN(C2=NNN=N2)CC1	REAL300019936500	1	41	0.0	-18.63	334.11	2.23	-16.40
CN(C)C(=O)C1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936501	1	42	0.0	-14.17	332.55	1.99	-12.18
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936502	1	37	0.0	-12.11	319.16	4.01	-8.10
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936503	1	53	0.0	-11.83	409.36	1.89	-9.94
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936504	1	56	0.0	-17.41	415.65	5.55	-11.86
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936505	1	53	0.0	-12.40	397.37	3.24	-9.16
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936506	1	54	0.0	-14.28	413.22	4.53	-9.75
COC1=CC=CC=C1OC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936507	1	44	0.0	-18.05	344.51	5.06	-12.99
CC1=C(Cl)C=NN1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936508	1	36	0.0	-16.93	309.72	3.37	-13.56
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C12CCC2	REAL300019936509	1	57	0.0	-13.54	410.49	5.23	-8.31
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936510	1	47	0.0	-20.60	367.22	3.01	-17.59
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1S(=O)(=O)N(C)C	REAL300019936511	1	47	0.0	-16.74	377.31	2.92	-13.82
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N2C=C(C)SC2=N1	REAL300019936512	1	42	0.0	-13.01	354.23	5.90	-7.11
O=C(C1CCC(C2CCCO2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019936513	1	45	0.0	-16.51	340.53	3.89	-12.62
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936514	1	54	0.0	-18.13	402.02	5.63	-12.50
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936515	1	36	0.0	-14.87	321.34	5.42	-9.45
CC1=CC(F)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019936516	1	38	0.0	-11.92	317.76	5.28	-6.64
CN1N=NC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C21	REAL300019936517	1	38	0.0	-24.60	311.64	2.60	-22.00
O=C(C1=CN=C2OCCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936518	1	40	0.0	-15.03	316.47	1.58	-13.45
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019936519	1	38	0.0	-10.59	318.68	3.50	-7.09
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)CCC1=CC=CC=C1	REAL300019936520	1	42	0.0	-8.26	343.08	6.64	-1.62
CC1=CC2=C(C=C(C(=O)N3CCN(C4=NNN=N4)CC3)S2)S1	REAL300019936521	1	36	0.0	-10.06	316.77	5.32	-4.74
O=C(C1CC=CC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019936522	1	41	0.0	-13.31	323.28	6.45	-6.86
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936523	1	44	0.0	-18.20	363.45	0.60	-17.60
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019936524	1	39	0.0	-9.72	343.46	6.42	-3.30
O=C(C1=CN2C=NN=C2C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019936525	1	34	0.0	-13.46	282.76	4.39	-9.07
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019936526	1	46	0.0	-13.09	375.16	7.84	-5.25
CON(CCC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)OC(C)(C)C	REAL300019936527	1	50	0.0	-12.69	391.22	4.47	-8.22
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936529	1	46	0.0	-10.32	364.93	2.76	-7.56
O=C(C1=CC=CC2=NC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019936530	1	38	0.0	-13.31	307.44	4.40	-8.91
COC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(F)C=N1	REAL300019936531	1	38	0.0	-12.16	324.81	2.97	-9.19
CC1=CC2=C(OCC2)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936532	1	41	0.0	-14.73	326.98	4.63	-10.10
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C[NH+]1CCC(NC(=O)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019958377	0	45	0.0	-74.24	359.22	1.49	-72.75
C[NH+]1CCC(NC(=O)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019958377	1	45	0.0	-74.25	359.28	1.51	-72.74
C[NH+]1CCC(NC(=O)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019958378	0	48	0.0	-78.11	383.97	4.37	-73.74
C[NH+]1CCC(NC(=O)CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019958378	1	48	0.0	-77.94	384.04	4.40	-73.54
C[NH+]1CCC(NC(=O)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958379	0	45	0.0	-66.64	369.81	1.28	-65.36
C[NH+]1CCC(NC(=O)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958379	1	45	0.0	-66.67	369.88	1.29	-65.38
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL300019958405	0	55	0.0	-82.51	439.10	6.94	-75.57
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL300019958405	1	55	0.0	-81.07	439.44	6.96	-74.11
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL300019958405	1	55	0.0	-82.56	439.15	6.95	-75.61
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL300019958405	1	55	0.0	-81.07	439.49	6.97	-74.10
CC1=C[NH+]=CC=C1N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019958508	0	44	0.0	-70.69	348.58	4.54	-66.15
CC1=C[NH+]=CC=C1N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019958508	1	44	0.0	-70.67	348.52	4.52	-66.15
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019958509	0	47	0.0	-72.02	370.38	7.13	-64.89
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019958509	1	47	0.0	-75.34	370.36	7.08	-68.26
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958510	0	44	0.0	-57.78	356.07	4.82	-52.96
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019958510	1	44	0.0	-57.82	356.39	4.78	-53.04
O=C(NCCC[N@@H+]1CCCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958572	0	48	0.0	-77.32	369.44	5.68	-71.64
O=C(NCCC[N@H+]1CCCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958572	1	48	0.0	-80.51	366.84	5.47	-75.04
O=C(NCCC[N@@H+]1CCCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958573	0	45	0.0	-61.48	355.71	2.55	-58.93
O=C(NCCC[N@H+]1CCCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958573	1	45	0.0	-63.88	352.99	2.38	-61.50
O=C(NCCC[N@@H+]1CCCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958573	1	45	0.0	-61.42	355.78	2.55	-58.87
O=C(NCCC[N@H+]1CCCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958573	1	45	0.0	-63.90	353.05	2.38	-61.52
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](O)[C@H]([N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300019958591	1	50	0.0	-69.79	388.71	4.71	-65.08
O=C(CCCC1=NN=N[N-]1)N1C[C@@H](O)[C@H]([N@H+]2CCC3=CC=CC=C3C2)C1	REAL300019958591	1	50	0.0	-72.23	388.89	4.76	-67.47
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](O)[C@H]([N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300019958592	1	50	0.0	-55.96	395.56	4.89	-51.07
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H](O)[C@H]([N@H+]2CCC3=CC=CC=C3C2)C1	REAL300019958592	1	50	0.0	-59.85	395.11	5.01	-54.84
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300019966235	0	43	0.0	-85.82	357.56	3.00	-82.82
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966236	0	43	0.0	-61.90	352.04	2.93	-58.97
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[N@@H+]1C	REAL300019966244	0	43	0.0	-67.83	330.23	3.17	-64.66
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[N@H+]1C	REAL300019966244	1	43	0.0	-72.62	335.33	3.45	-69.17
C[C@@H]1[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[N@@H+]1C	REAL300019966254	0	40	0.0	-76.27	309.57	2.43	-73.84
C[C@@H]1[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[N@H+]1C	REAL300019966254	1	40	0.0	-65.29	315.19	2.83	-62.46
C[N@@H+]1CC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@@H]1C1=CC=CC=C1	REAL300019966312	0	47	0.0	-72.58	349.15	4.99	-67.59
C[N@H+]1CC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@@H]1C1=CC=CC=C1	REAL300019966312	1	47	0.0	-78.55	370.95	5.70	-72.85
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019966313	0	43	0.0	-66.59	347.59	1.93	-64.66
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966358	1	43	0.0	-61.63	334.16	3.20	-58.43
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966358	1	43	0.0	-62.31	318.45	2.57	-59.74
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL300019966374	1	44	0.0	-77.60	358.65	2.56	-75.04
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL300019966374	1	44	0.0	-74.55	354.70	2.05	-72.50
C[NH+](C)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Cl)C=C1	REAL300019966378	1	43	0.0	-65.01	364.33	5.48	-59.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC[N@H+](C1)CCC2	REAL300019966406	0	41	0.0	-72.19	314.49	2.68	-69.51
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC[N@@H+](C1)CCC2	REAL300019966406	1	41	0.0	-70.86	314.46	2.68	-68.18
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966452	1	44	0.0	-60.33	358.82	4.69	-55.64
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[N@@H+]1C1CCCC1	REAL300019966533	1	44	0.0	-65.59	345.68	4.44	-61.15
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[N@H+]1C1CCCC1	REAL300019966533	1	44	0.0	-65.47	343.49	4.25	-61.22
C[NH+](C)CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966599	0	40	0.0	-67.91	318.62	3.18	-64.73
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019966600	0	50	0.0	-82.52	389.03	3.85	-78.67
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019966600	1	50	0.0	-83.03	386.67	4.03	-79.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300019966620	0	44	0.0	-75.56	359.97	3.65	-71.91
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966673	1	41	0.0	-64.63	338.55	4.21	-60.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH+](C2CCOC2)C1	REAL300019966674	0	42	0.0	-70.19	338.58	1.66	-68.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC[NH+](CCC1)C2	REAL300019966678	0	44	0.0	-66.02	330.33	3.66	-62.36
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC[NH+](CC1)C2	REAL300019966687	0	38	0.0	-73.07	304.77	1.98	-71.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH+](C2CCOCC2)C1	REAL300019966688	0	45	0.0	-69.78	356.07	2.42	-67.36
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966695	1	46	0.0	-70.31	372.30	5.90	-64.41
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966695	1	46	0.0	-72.75	372.01	5.92	-66.83
COCCOCC[N@H+](C)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966696	0	50	0.0	-67.76	400.93	2.11	-65.65
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966696	1	50	0.0	-68.15	401.06	2.10	-66.05
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966716	1	41	0.0	-67.43	319.68	-0.38	-67.81
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966716	1	41	0.0	-66.97	319.43	-0.20	-67.17
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2CCCC[N@@H+]21	REAL300019966717	0	44	0.0	-67.48	334.69	3.96	-63.52
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2CCCC[N@H+]21	REAL300019966717	1	44	0.0	-63.37	340.83	4.41	-58.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC2CCC[N@@H+]21	REAL300019966850	0	44	0.0	-57.56	337.13	4.29	-53.27
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC2CCC[N@H+]21	REAL300019966850	1	44	0.0	-61.78	329.29	4.01	-57.77
CC1C[N@H+](C)CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019966851	1	41	0.0	-63.30	324.65	2.40	-60.90
CC1C[N@@H+](C)CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019966851	1	41	0.0	-74.83	323.94	2.14	-72.69
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966853	0	43	0.0	-68.26	340.26	3.97	-64.29
C[N@H+]1CCCC1CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966853	1	43	0.0	-65.72	335.06	3.48	-62.24
C[N@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC(C)(C)C	REAL300019966873	0	45	0.0	-69.36	340.76	3.86	-65.50
C[N@@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC(C)(C)C	REAL300019966873	1	45	0.0	-65.68	343.02	4.03	-61.65
C=C(CC[NH+](C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966887	0	40	0.0	-82.81	327.09	3.34	-79.47
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+]1CCCCC1	REAL300019966960	0	46	0.0	-60.30	341.62	4.47	-55.83
C[NH+]1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966976	0	40	0.0	-77.01	317.73	3.12	-73.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC([NH+]2CCOCC2)CC1	REAL300019966984	0	51	0.0	-60.36	378.14	3.58	-56.78
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966990	0	47	0.0	-62.32	353.27	2.57	-59.75
CN1CC[N@H+](C)CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019966991	0	45	0.0	-66.82	343.17	1.56	-65.26
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019966991	1	45	0.0	-63.05	344.28	1.23	-61.82
C[N@@H+]1CCOCC2(COCCN2C(=O)CCCC2=N[N-]N=N2)C1	REAL300019970206	0	47	0.0	-69.04	340.90	4.14	-64.90
C[N@H+]1CCOCC2(COCCN2C(=O)CCCC2=N[N-]N=N2)C1	REAL300019970206	1	47	0.0	-50.27	340.69	2.96	-47.31
C[N@@H+]1CCOCC2(COCCN2C(=O)CCCC2=NN=N[N-]2)C1	REAL300019970206	1	47	0.0	-69.07	340.96	4.15	-64.92
C[N@H+]1CCOCC2(COCCN2C(=O)CCCC2=NN=N[N-]2)C1	REAL300019970206	1	47	0.0	-50.31	340.75	2.97	-47.34
C[N@@H+]1CCOCC2(COCCN2C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019970207	0	50	0.0	-58.98	360.58	6.07	-52.91
C[N@H+]1CCOCC2(COCCN2C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019970207	1	50	0.0	-74.10	366.67	7.23	-66.87
C[N@@H+]1CCOCC2(COCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019970208	0	47	0.0	-53.87	341.51	4.69	-49.18
C[N@H+]1CCOCC2(COCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019970208	1	47	0.0	-56.21	345.53	3.92	-52.29
C[N@@H+]1CCOCC2(COCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019970208	1	47	0.0	-53.90	341.45	4.68	-49.22
C[N@H+]1CCOCC2(COCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019970208	1	47	0.0	-56.21	345.46	3.92	-52.29
C[NH+](C)CCN(CCO)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970359	0	44	0.0	-61.79	343.30	4.16	-57.63
C[NH+](C)CCN(CCO)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970359	1	44	0.0	-61.69	343.39	4.16	-57.53
C[NH+](C)CCN(CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970360	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	REAL300019970360	1	41	0.0	-56.89	332.49	2.25	-54.64
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+]2CCCC2C12CCC2	REAL300019970402	0	46	0.0	-70.93	331.58	5.82	-65.11
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+]2CCCC2C12CCC2	REAL300019970402	1	46	0.0	-71.23	331.31	5.94	-65.29
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+]2CCCC2C12CCC2	REAL300019970402	1	46	0.0	-70.94	331.64	5.83	-65.11
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+]2CCCC2C12CCC2	REAL300019970402	1	46	0.0	-71.21	331.36	5.95	-65.26
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[N@@H+]2CCCC2C12CCC2	REAL300019970403	0	49	0.0	-76.67	353.49	8.34	-68.33
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[N@H+]2CCCC2C12CCC2	REAL300019970403	1	49	0.0	-73.41	353.04	8.46	-64.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@@H+]2CCCC2C12CCC2	REAL300019970404	0	46	0.0	-55.52	339.62	6.04	-49.48
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@H+]2CCCC2C12CCC2	REAL300019970404	1	46	0.0	-54.87	338.80	6.12	-48.75
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@@H+]2CCCC2C12CCC2	REAL300019970404	1	46	0.0	-55.48	339.69	6.05	-49.43
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@H+]2CCCC2C12CCC2	REAL300019970404	1	46	0.0	-54.79	338.87	6.13	-48.66
CN(C(=O)CCCC1=NN=N[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019970562	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	REAL300019970562	1	44	0.0	-74.32	345.91	3.73	-70.59
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019970563	0	47	0.0	-70.56	365.74	6.15	-64.41
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019970564	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	REAL300019970564	1	44	0.0	-58.96	352.05	4.06	-54.90
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CN2C=[NH+]C=C2C=C1	REAL300019972259	1	34	0.0	-67.82	318.27	7.42	-60.40
CC1=[NH+]C=CN1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972270	1	34	0.0	-62.21	317.51	5.54	-56.67
C[NH+](C)C1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972276	1	36	0.0	-63.14	310.24	5.48	-57.66
CC(C)[NH+]1CCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972468	0	45	0.0	-71.12	366.69	6.76	-64.36
CC(C)[NH+]1CCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972468	1	45	0.0	-71.08	366.75	6.75	-64.33
C[N@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL300019972493	0	39	0.0	-63.50	334.30	5.90	-57.60
C[N@@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC1	REAL300019972493	1	39	0.0	-64.45	333.93	5.91	-58.54
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL300019972601	0	42	0.0	-65.19	344.72	5.60	-59.59
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL300019972601	1	42	0.0	-67.58	350.38	5.87	-61.71
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC[N@@H+]1C	REAL300019972601	1	42	0.0	-65.21	344.66	5.62	-59.59
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC[N@H+]1C	REAL300019972601	1	42	0.0	-67.59	350.32	5.88	-61.71
C[C@@H]1[C@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL300019972611	0	39	0.0	-70.98	325.36	5.11	-65.87
C[C@@H]1[C@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL300019972611	1	39	0.0	-62.58	330.16	5.28	-57.30
C[C@@H]1[C@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC[N@@H+]1C	REAL300019972611	1	39	0.0	-65.59	325.48	5.09	-60.50
C[C@@H]1[C@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC[N@H+]1C	REAL300019972611	1	39	0.0	-62.62	330.10	5.29	-57.33
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972648	1	42	0.0	-58.98	349.10	5.66	-53.32
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972648	1	42	0.0	-59.50	350.17	5.65	-53.85
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C12CC[N@H+](C1)CCC2	REAL300019972670	0	40	0.0	-69.21	329.42	5.13	-64.08
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C12CC[N@@H+](C1)CCC2	REAL300019972670	1	40	0.0	-63.20	329.14	5.13	-58.07
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C12CC[N@H+](C1)CCC2	REAL300019972670	1	40	0.0	-69.24	329.36	5.14	-64.10
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C12CC[N@@H+](C1)CCC2	REAL300019972670	1	40	0.0	-63.31	329.08	5.14	-58.17
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC[N@@H+]1C1CCCC1	REAL300019972711	1	43	0.0	-66.07	353.73	6.44	-59.63
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC[N@H+]1C1CCCC1	REAL300019972711	1	43	0.0	-67.90	358.42	6.70	-61.20
C[NH+](C)CC1(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972738	0	39	0.0	-62.91	338.89	5.75	-57.16
C[NH+](C)CC1(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972738	1	39	0.0	-62.88	338.97	5.74	-57.14
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972767	1	40	0.0	-60.91	353.73	6.65	-54.26
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1C[NH+](C2CCOC2)C1	REAL300019972768	1	41	0.0	-72.71	354.69	4.29	-68.42
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C12CCC[NH+](CCC1)C2	REAL300019972769	0	43	0.0	-67.07	345.24	6.11	-60.96
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C12CCC[NH+](CCC1)C2	REAL300019972769	1	43	0.0	-67.09	345.17	6.12	-60.97
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972773	1	36	0.0	-59.44	314.15	4.96	-54.48
C[N@H+]1CCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972773	1	36	0.0	-62.94	308.10	4.48	-58.46
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972774	1	36	0.0	-62.38	307.84	4.49	-57.89
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972774	1	36	0.0	-59.71	313.13	4.98	-54.73
C[C@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019972775	1	35	0.0	-64.97	306.17	4.34	-60.63
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC2CCCC[N@@H+]21	REAL300019972785	0	43	0.0	-57.80	349.71	6.41	-51.39
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC2CCCC[N@H+]21	REAL300019972785	1	43	0.0	-61.05	355.66	6.86	-54.19
CC1=C[NH+]=CN1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972804	1	34	0.0	-63.42	317.84	6.27	-57.15
C[C@@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019972832	1	35	0.0	-60.88	305.86	4.33	-56.55
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCC2CCC[N@@H+]21	REAL300019972837	0	43	0.0	-60.03	344.38	6.46	-53.57
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCCC2CCC[N@H+]21	REAL300019972837	1	43	0.0	-58.75	344.41	6.45	-52.30
CC1C[N@H+](C)CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972839	1	40	0.0	-71.60	346.04	5.02	-66.58
CC1C[N@@H+](C)CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)O1	REAL300019972839	1	40	0.0	-72.04	338.82	4.59	-67.45
C[N@@H+]1CCCC1CCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972841	0	42	0.0	-71.58	351.31	6.28	-65.30
C[N@H+]1CCCC1CCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972841	1	42	0.0	-62.85	349.98	5.94	-56.91
C[N@@H+]1CCCC1CCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972841	1	42	0.0	-71.51	351.37	6.27	-65.24
C[N@H+]1CCCC1CCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972841	1	42	0.0	-62.83	350.05	5.95	-56.88
C[N@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)CC(C)(C)C	REAL300019972851	0	44	0.0	-65.56	356.78	6.33	-59.23
C[N@@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)CC(C)(C)C	REAL300019972851	1	44	0.0	-62.60	358.20	6.49	-56.11
C=C(CC[NH+](C)C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972858	0	39	0.0	-79.96	341.96	5.79	-74.17
C=C(CC[NH+](C)C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972858	1	39	0.0	-79.93	342.03	5.78	-74.15
CC(C)(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+]1CCCCC1	REAL300019972885	0	45	0.0	-66.93	357.30	6.80	-60.13
C[NH+]1CCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019972891	0	39	0.0	-66.36	332.38	5.58	-60.78
C[NH+]1CCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019972891	1	39	0.0	-72.92	332.23	5.58	-67.34
CC[C@@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019972897	0	38	0.0	-60.51	317.94	4.93	-55.58
CC[C@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019972898	0	38	0.0	-63.27	317.71	4.93	-58.34
CN1CC[N@H+](C)CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972899	0	44	0.0	-61.33	358.44	4.07	-57.26
CN1CC[N@@H+](C)CC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972899	1	44	0.0	-60.42	359.38	3.68	-56.74
CN1CC[N@H+](C)CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019972899	1	44	0.0	-61.34	358.38	4.08	-57.26
CN1CC[N@@H+](C)CC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019972899	1	44	0.0	-60.50	359.31	3.69	-56.81
C[NH+](C)CCOC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C=C1	REAL300019996575	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	REAL300019996575	1	49	0.0	-75.45	397.11	6.64	-68.81
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019996713	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	REAL300019996713	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	REAL300019996714	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	REAL300019996714	1	53	0.0	-76.72	414.79	7.02	-69.70
C[NH+](C)C1CC2(C1)CCC(C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1)CC2	REAL300019996734	0	55	0.0	-67.14	417.57	8.02	-59.12
C[NH+](C)C1CC2(C1)CCC(C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)CC2	REAL300019996734	1	55	0.0	-67.14	417.62	8.04	-59.10
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019996768	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	REAL300019996768	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	REAL300019996780	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	REAL300019996780	1	48	0.0	-48.92	361.43	6.05	-42.87
CC1=[NH+]C=C2C=CC(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)=CN21	REAL300019996786	0	40	0.0	-58.93	340.82	6.66	-52.27
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020004738	0	46	0.0	-76.61	374.70	6.58	-70.03
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020004900	0	52	0.0	-68.80	406.41	9.25	-59.55
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020004900	1	52	0.0	-68.86	406.46	9.24	-59.62
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)CC2	REAL300020004930	0	52	0.0	-71.17	395.36	7.97	-63.20
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)CC2	REAL300020004930	1	52	0.0	-71.15	395.41	7.96	-63.19
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020004989	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	REAL300020004989	1	45	0.0	-65.07	338.57	6.00	-59.07
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CN21	REAL300020004997	0	37	0.0	-66.46	318.34	6.58	-59.88
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC=C(OCC3=N[N-]N=N3)C=C1)CC2	REAL300020013354	0	56	0.0	-71.37	425.42	7.49	-63.88
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)CC2	REAL300020013354	1	56	0.0	-71.33	425.47	7.51	-63.82
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300020013396	0	43	0.0	-69.13	346.78	4.58	-64.55
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300020013396	1	43	0.0	-69.16	346.84	4.60	-64.56
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300020013403	0	49	0.0	-64.04	369.48	5.54	-58.50
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020013403	1	49	0.0	-64.05	369.54	5.55	-58.50
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=CN21	REAL300020013409	0	41	0.0	-65.41	348.60	6.15	-59.26
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300020017255	0	55	0.0	-77.28	412.08	9.05	-68.23
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300020017255	1	55	0.0	-78.35	412.55	9.00	-69.35
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300020017255	1	55	0.0	-77.31	412.14	9.07	-68.24
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300020017255	1	55	0.0	-78.41	412.60	9.02	-69.39
C[NH+](C)CCN1C=C(NC(=O)CCCC2=N[N-]N=N2)C=CC1=O	REAL300020017286	0	44	0.0	-82.04	361.11	4.38	-77.66
C[NH+](C)CCN1C=C(NC(=O)CCCC2=NN=N[N-]2)C=CC1=O	REAL300020017286	1	44	0.0	-82.06	361.17	4.39	-77.67
C[NH+](C)CCN1C=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CC1=O	REAL300020017287	0	44	0.0	-67.91	371.34	4.20	-63.71
C[NH+](C)CCN1C=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CC1=O	REAL300020017287	1	44	0.0	-67.91	371.27	4.19	-63.72
O=C(CCCC1=N[N-]N=N1)NCCCC[N@H+]1CCCC1CO	REAL300020017306	0	48	0.0	-70.12	373.65	1.95	-68.17
O=C(CCCC1=N[N-]N=N1)NCCCC[N@@H+]1CCCC1CO	REAL300020017306	1	48	0.0	-69.86	373.75	1.97	-67.89
O=C(CCCC1=NN=N[N-]1)NCCCC[N@H+]1CCCC1CO	REAL300020017306	1	48	0.0	-70.13	373.71	1.96	-68.17
O=C(CCCC1=NN=N[N-]1)NCCCC[N@@H+]1CCCC1CO	REAL300020017306	1	48	0.0	-69.86	373.81	1.98	-67.88
O=C(NCCCC[N@H+]1CCCC1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017307	0	48	0.0	-61.43	380.81	1.23	-60.20
O=C(NCCCC[N@@H+]1CCCC1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017307	1	48	0.0	-58.77	384.19	1.70	-57.07
O=C(NCCCC[N@H+]1CCCC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017307	1	48	0.0	-61.40	380.88	1.23	-60.17
O=C(NCCCC[N@@H+]1CCCC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017307	1	48	0.0	-58.73	384.26	1.72	-57.01
CCCN(CC[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017315	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	REAL300020017315	1	43	0.0	-59.81	343.04	6.27	-53.54
CCC(CO)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020017318	1	45	0.0	-54.50	339.18	2.66	-51.84
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300020017334	0	53	0.0	-73.09	399.60	5.64	-67.45
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300020017334	1	53	0.0	-73.12	399.66	5.65	-67.47
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300020017335	0	53	0.0	-59.05	410.51	5.43	-53.62
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300020017335	1	53	0.0	-59.09	410.45	5.41	-53.68
CSC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1[NH+](C)C	REAL300020017339	0	42	0.0	-60.14	346.98	5.07	-55.07
CSC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1[NH+](C)C	REAL300020017339	1	42	0.0	-60.13	347.06	5.07	-55.06
C[NH+](C)CCCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020017340	0	48	0.0	-76.61	383.82	5.69	-70.92
C[NH+](C)CCCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020017340	1	48	0.0	-76.63	383.88	5.71	-70.92
C[NH+](C)CCCOC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020017341	0	48	0.0	-65.11	394.46	5.50	-59.61
C[NH+](C)CCCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020017341	1	48	0.0	-65.14	394.39	5.48	-59.66
O=C(CCCC1=NN=N[N-]1)NCC1=CC=[NH+]C(N2CCCCCC2)=C1	REAL300020017342	1	50	0.0	-66.03	382.04	4.81	-61.22
C[NH+]1CCC(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300020017412	0	48	0.0	-72.79	364.05	6.45	-66.34
C[NH+]1CCC(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300020017412	1	48	0.0	-72.80	364.11	6.46	-66.34
C[NH+]1CCC(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300020017413	0	48	0.0	-63.49	371.02	6.63	-56.86
C[NH+]1CCC(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300020017413	1	48	0.0	-63.48	371.09	6.63	-56.85
C[N@H+]1CC2=CC=CC=C2C(NC(=O)CCCC2=N[N-]N=N2)C1	REAL300020017426	1	42	0.0	-79.73	330.86	5.25	-74.48
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)CCCC2=N[N-]N=N2)C1	REAL300020017426	1	42	0.0	-77.76	331.33	5.00	-72.76
C[N@H+]1CC2=CC=CC=C2C(NC(=O)CCCC2=NN=N[N-]2)C1	REAL300020017426	1	42	0.0	-79.74	330.92	5.26	-74.48
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)CCCC2=NN=N[N-]2)C1	REAL300020017426	1	42	0.0	-77.77	331.39	5.02	-72.75
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1NC(=O)CC[NH+](C)C	REAL300020017453	0	51	0.0	-82.31	405.26	5.21	-77.10
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1NC(=O)CC[NH+](C)C	REAL300020017453	1	51	0.0	-82.33	405.32	5.23	-77.10
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1NC(=O)CC[NH+](C)C	REAL300020017454	0	51	0.0	-69.83	416.76	5.04	-64.79
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1NC(=O)CC[NH+](C)C	REAL300020017454	1	51	0.0	-69.82	416.69	5.02	-64.80
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1N1CCC([NH+](C)C)C1	REAL300020017460	0	53	0.0	-77.49	408.91	6.27	-71.22
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1N1CCC([NH+](C)C)C1	REAL300020017460	1	53	0.0	-77.55	408.96	6.29	-71.26
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1N1CCC([NH+](C)C)C1	REAL300020017461	0	53	0.0	-60.10	419.27	6.08	-54.02
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1N1CCC([NH+](C)C)C1	REAL300020017461	1	53	0.0	-60.16	419.20	6.07	-54.09
CCN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020017468	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	REAL300020017468	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	REAL300020017468	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	REAL300020017468	1	51	0.0	-59.08	391.26	8.60	-50.48
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020017469	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	REAL300020017469	1	51	0.0	-57.11	397.21	9.50	-47.61
C[N@@H+]1CCC(O)(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020017477	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	REAL300020017477	1	39	0.0	-60.34	321.91	-0.36	-60.70
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL300020024281	1	41	0.0	-63.28	343.12	2.76	-60.52
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020024913	0	47	0.0	-73.85	381.04	4.74	-69.11
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020025061	0	53	0.0	-71.61	412.90	7.40	-64.21
CC1CN(CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CCO1	REAL300020025062	0	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	REAL300020025062	1	51	0.0	-76.86	398.41	5.13	-71.73
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CCO1	REAL300020025062	1	51	0.0	-76.86	398.41	5.13	-71.73
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)CC2	REAL300020025089	0	53	0.0	-72.61	401.35	6.11	-66.50
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020025132	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	REAL300020025144	0	46	0.0	-61.61	345.42	4.17	-57.44
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CN21	REAL300020025150	0	38	0.0	-64.07	324.47	4.76	-59.31
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020044513	0	47	0.0	-79.20	380.82	4.75	-74.45
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020044661	0	53	0.0	-72.11	412.87	7.40	-64.71
CC1CN(CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)CCO1	REAL300020044662	0	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	REAL300020044662	1	51	0.0	-82.91	398.72	5.12	-77.79
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)CCO1	REAL300020044662	1	51	0.0	-82.91	398.72	5.12	-77.79
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)CC2	REAL300020044689	0	53	0.0	-75.34	401.51	6.15	-69.19
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020044732	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	REAL300020044744	0	46	0.0	-58.70	345.39	4.17	-54.53
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CN21	REAL300020044750	0	38	0.0	-67.60	324.76	4.75	-62.85
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050204	1	49	0.0	-78.04	381.06	6.75	-71.29
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050204	1	49	0.0	-78.02	381.12	6.74	-71.28
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050207	0	52	0.0	-77.38	408.06	7.08	-70.30
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050207	1	52	0.0	-77.43	408.13	7.08	-70.35
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)CC1	REAL300020050231	1	55	0.0	-75.87	417.50	5.11	-70.76
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)CC1	REAL300020050231	1	55	0.0	-75.86	417.57	5.10	-70.76
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050375	0	54	0.0	-71.65	410.19	5.69	-65.96
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050375	1	54	0.0	-71.61	410.25	5.69	-65.92
CC(C1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1)[NH+]1CCOCC1	REAL300020050388	1	52	0.0	-70.14	392.98	4.70	-65.44
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1	REAL300020050411	0	51	0.0	-76.75	397.51	5.02	-71.73
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1	REAL300020050411	1	51	0.0	-76.77	397.57	5.02	-71.75
C[NH+](C)CCN1C=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050458	0	44	0.0	-76.41	348.00	3.63	-72.78
C[NH+](C)CCN1C=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050458	1	44	0.0	-76.38	347.94	3.64	-72.74
CC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C(OCC[NH+](C)C)=C1	REAL300020050577	0	51	0.0	-71.58	394.57	5.18	-66.40
CC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C(OCC[NH+](C)C)=C1	REAL300020050577	1	51	0.0	-71.60	394.63	5.18	-66.42
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020050596	0	48	0.0	-85.07	375.90	1.65	-83.42
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020050596	1	48	0.0	-85.09	375.97	1.65	-83.44
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050640	0	51	0.0	-79.13	391.03	5.33	-73.80
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050640	1	51	0.0	-79.13	391.09	5.32	-73.81
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050748	0	55	0.0	-71.82	416.16	6.24	-65.58
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050748	1	55	0.0	-71.80	416.22	6.23	-65.57
CC1CC[NH+](CCC2=CC=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=C2)CC1	REAL300020050804	0	57	0.0	-73.01	429.56	7.92	-65.09
CC1CC[NH+](CCC2=CC=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=C2)CC1	REAL300020050804	1	57	0.0	-73.00	429.62	7.91	-65.09
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(N(C)C)=[NH+]1	REAL300020054208	1	38	0.0	-48.10	321.87	-0.64	-48.74
C[N@H+](CCC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1)C1CC1	REAL300020054263	0	46	0.0	-64.21	378.84	3.66	-60.55
C[N@@H+](CCC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1)C1CC1	REAL300020054263	1	46	0.0	-64.55	379.28	3.64	-60.91
C[N@H+](CCC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1)C1CC1	REAL300020054263	1	46	0.0	-64.19	378.90	3.67	-60.52
C[N@@H+](CCC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1)C1CC1	REAL300020054263	1	46	0.0	-64.54	379.33	3.67	-60.87
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300020054310	0	51	0.0	-64.43	395.19	1.77	-62.66
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300020054310	1	51	0.0	-64.41	395.24	1.78	-62.63
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=C2)CC1	REAL300020054360	0	51	0.0	-57.59	395.60	1.77	-55.82
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=C2)CC1	REAL300020054360	1	51	0.0	-57.55	395.66	1.78	-55.77
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1NC(=O)CC[NH+](C)C	REAL300020054380	0	49	0.0	-71.50	400.62	1.32	-70.18
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1NC(=O)CC[NH+](C)C	REAL300020054380	1	49	0.0	-71.50	400.68	1.34	-70.16
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1N1CCC([NH+](C)C)C1	REAL300020054381	0	51	0.0	-63.88	404.65	2.41	-61.47
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1N1CCC([NH+](C)C)C1	REAL300020054381	1	51	0.0	-63.89	404.70	2.43	-61.46
O=C(C[NH2+]CC1CCCO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063378	0	41	0.0	-75.18	334.96	0.60	-74.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CC12CC2	REAL300020063379	0	38	0.0	-74.34	310.20	1.25	-73.09
[NH3+]C(CC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063380	0	40	0.0	-73.80	334.37	1.86	-71.94
[NH3+][C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020063381	0	37	0.0	-74.91	313.19	1.10	-73.81
[NH3+]CCCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063382	0	42	0.0	-79.89	343.01	1.23	-78.66
O=C(CC1CC[NH2+]CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063384	0	40	0.0	-71.63	315.76	1.60	-70.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2CC[NH2+]CC2)N=N1	REAL300020063386	0	43	0.0	-82.28	353.79	0.22	-82.06
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN1C1CC[NH2+]CC1	REAL300020063387	0	45	0.0	-81.93	357.31	3.65	-78.28
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=NN1C1CC[NH2+]CC1	REAL300020063388	0	46	0.0	-81.10	371.75	0.94	-80.16
[NH3+]CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020063389	0	40	0.0	-84.15	331.30	1.62	-82.53
[NH3+]C(CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020063390	0	43	0.0	-88.21	353.07	2.67	-85.54
[NH3+]CC1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300020063392	1	33	0.0	-87.01	301.30	-1.84	-88.85
[NH3+]CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020063397	0	34	0.0	-87.27	298.25	-0.70	-87.97
[NH3+]C(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1=CC=CC=C1	REAL300020063398	0	43	0.0	-74.18	351.96	2.74	-71.44
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C([NH3+])C1=CC=CC=C1	REAL300020063399	0	43	0.0	-66.50	346.34	2.46	-64.04
O=C(CC1C[NH2+]CCO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063400	0	38	0.0	-78.84	310.04	0.13	-78.71
[NH3+]CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL300020063401	0	40	0.0	-77.18	313.21	0.53	-76.65
CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[NH2+]C1	REAL300020063402	0	46	0.0	-82.90	350.69	2.69	-80.21
CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH2+]CC1	REAL300020063403	0	46	0.0	-78.29	350.88	2.73	-75.56
O=C(CC1CC2CCC(C1)[NH2+]2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063404	0	44	0.0	-70.22	333.28	2.39	-67.83
[NH3+]CCCN1C=CC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300020063405	0	47	0.0	-89.49	389.19	3.87	-85.62
O=C(CC1CSCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063406	0	38	0.0	-67.95	315.40	1.65	-66.30
[NH3+]C(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020063407	0	40	0.0	-69.90	330.78	1.99	-67.91
CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]C1	REAL300020063408	0	40	0.0	-75.86	315.86	1.21	-74.65
[NH3+][C@@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063409	0	44	0.0	-73.74	364.37	1.92	-71.82
O=C(CCC1CC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063410	0	40	0.0	-72.07	321.69	1.65	-70.42
O=C(CC[C@@H]1CCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063411	0	40	0.0	-77.60	322.52	1.80	-75.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CC[NH2+]CC2	REAL300020063412	0	41	0.0	-71.48	324.92	2.25	-69.23
CC1([NH3+])CCCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063413	0	43	0.0	-65.36	322.26	1.03	-64.33
O=C(CCC1CC[NH2+]CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063414	0	43	0.0	-74.90	337.91	2.32	-72.58
O=C(COCC1CCC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063415	0	44	0.0	-77.71	353.75	1.95	-75.76
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC[NH2+]1	REAL300020063416	0	40	0.0	-74.68	308.72	1.80	-72.88
O=C(CCNC(=O)C1CCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063417	0	44	0.0	-79.47	360.23	-0.56	-80.03
[NH3+]CC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCCC1	REAL300020063418	0	46	0.0	-88.49	337.79	1.69	-86.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2C[NH2+]CC(C1)C2=O	REAL300020063419	0	43	0.0	-95.87	333.80	1.96	-93.91
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CC[NH2+]C2	REAL300020063422	0	38	0.0	-75.13	308.89	1.53	-73.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2CC[NH2+]CC2=C1	REAL300020063423	0	41	0.0	-77.91	333.65	3.14	-74.77
[NH3+]CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CO1	REAL300020063424	0	34	0.0	-82.00	297.40	-0.73	-82.73
CCOC1CC([NH3+])(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1(C)C	REAL300020063425	0	47	0.0	-69.60	364.77	0.94	-68.66
CC1=CC(C([NH3+])CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(Cl)=N1	REAL300020063426	0	42	0.0	-77.89	364.32	1.25	-76.64
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC(C2CC[NH2+]C2)=C1	REAL300020063427	0	41	0.0	-81.95	339.79	0.27	-81.68
COCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]CC1	REAL300020063431	0	44	0.0	-72.57	339.40	0.93	-71.64
O=C(CC1COCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063432	0	38	0.0	-68.37	307.12	-0.52	-68.89
CCC1[NH2+]CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063433	0	40	0.0	-76.19	315.31	1.62	-74.57
O=C(CCC1CCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063434	0	40	0.0	-75.46	322.18	1.88	-73.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(CC2CCC[NH2+]2)N=N1	REAL300020063435	0	43	0.0	-70.06	356.08	0.73	-69.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=CC=C2)CC[NH2+]C1	REAL300020063436	0	44	0.0	-82.23	350.89	3.35	-78.88
CC1[NH2+]CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063439	0	40	0.0	-63.24	307.17	1.70	-61.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CCC1[NH2+]C2	REAL300020063440	0	41	0.0	-60.87	314.43	2.07	-58.80
COCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]C1	REAL300020063442	0	41	0.0	-75.32	327.17	0.24	-75.08
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C([NH3+])C1=CC=CC=C1	REAL300020063443	0	46	0.0	-63.69	355.82	2.88	-60.81
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL300020063445	0	44	0.0	-79.97	357.74	1.64	-78.33
[NH3+]CCCCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020063446	0	42	0.0	-81.64	357.76	-0.83	-82.47
[NH3+]CCCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020063447	0	39	0.0	-82.76	336.26	-1.62	-84.38
[NH3+]C(CC1CCCCC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063448	0	46	0.0	-77.73	352.34	2.32	-75.41
CC(C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)[NH3+]	REAL300020063450	0	42	0.0	-70.52	325.52	0.78	-69.74
CC([NH3+])C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020063451	0	40	0.0	-85.11	331.47	1.80	-83.31
[NH3+]C(CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1CCCCC1	REAL300020063452	0	52	0.0	-89.10	394.93	3.38	-85.72
N#CCCCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063453	0	37	0.0	-86.94	317.37	0.14	-86.80
[NH3+][C@@H]1CCC[C@H]1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063455	0	40	0.0	-81.89	318.97	0.60	-81.29
O=C(CC1CCC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063456	0	40	0.0	-78.34	315.50	1.59	-76.75
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CCC[NH2+]C2	REAL300020063457	0	41	0.0	-82.13	328.14	2.08	-80.05
N#CCCCCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063458	0	40	0.0	-89.65	338.87	0.92	-88.73
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(C2CC2)[NH2+]1	REAL300020063459	0	41	0.0	-67.07	332.66	2.46	-64.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CC2=CC=CC=C21	REAL300020063460	0	41	0.0	-84.74	334.80	2.78	-81.96
C[NH+](C)CCC(N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063461	0	41	0.0	-78.39	329.88	-0.18	-78.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CC[NH2+]C2)S1	REAL300020063462	0	38	0.0	-79.00	326.65	2.32	-76.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(C[NH2+]C2)S1	REAL300020063463	0	35	0.0	-80.86	309.35	1.48	-79.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=NN1C1CC[NH2+]CC1	REAL300020063464	0	43	0.0	-72.22	349.72	0.45	-71.77
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1Br	REAL300020063465	1	37	0.0	-70.80	324.23	1.81	-68.99
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300020063466	0	47	0.0	-76.92	369.07	3.35	-73.57
CC(C)C[C@H](C[NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063467	0	45	0.0	-75.76	345.26	1.49	-74.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C2CC[NH2+]C2)NN=C1	REAL300020063468	0	41	0.0	-73.97	336.15	0.20	-73.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNN=C1C1CC[NH2+]C1	REAL300020063468	1	41	0.0	-68.73	336.08	0.23	-68.50
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC[NH2+]C1	REAL300020063469	0	40	0.0	-72.68	307.89	1.39	-71.29
CC(C)OC[C@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063470	0	40	0.0	-71.22	331.61	-1.10	-72.32
[NH3+]CCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020063472	0	36	0.0	-85.75	314.76	-2.39	-88.14
O=C(CC1[NH2+]CC2=CC=CC=C21)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063473	0	41	0.0	-65.15	337.27	3.25	-61.90
C[NH2+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(Cl)=C1Cl	REAL300020063474	1	40	0.0	-70.52	353.32	4.11	-66.41
[NH3+]C[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063475	0	38	0.0	-86.36	304.74	-0.50	-86.86
O=C(CCC1CCC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063476	0	43	0.0	-73.27	337.92	2.30	-70.97
[NH3+]C(CC1=NC=CC=N1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063477	0	38	0.0	-69.79	325.21	-0.90	-70.69
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL300020063478	0	43	0.0	-74.85	353.50	1.86	-72.99
[NH3+][C@H]1CC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020063479	0	40	0.0	-81.18	317.67	0.55	-80.63
COC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]CC1	REAL300020063480	0	41	0.0	-71.30	318.02	-0.49	-71.79
[NH3+]C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020063481	0	40	0.0	-69.42	311.13	0.40	-69.02
CC([NH3+])(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020063483	1	42	0.0	-91.18	353.60	2.46	-88.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL300020063484	0	43	0.0	-79.89	362.57	1.59	-78.30
[NH3+][C@@H]1CCC[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020063485	0	40	0.0	-69.85	311.13	0.37	-69.48
O=C(CC[NH2+]CC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063486	0	40	0.0	-75.48	331.84	2.38	-73.10
O=C(CCC12CC(C1)C[NH2+]2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063487	0	41	0.0	-75.99	330.11	2.13	-73.86
[NH3+][C@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063489	0	44	0.0	-75.92	366.92	1.87	-74.05
O=C(CO[C@@H]1CC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063490	0	38	0.0	-76.67	315.37	0.56	-76.11
CC[NH+](CC)CCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063626	0	47	0.0	-64.41	363.42	7.24	-57.17
CC[NH+](CC)CCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063626	1	47	0.0	-64.40	363.48	7.25	-57.15
CC[NH+](CC)CCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063627	0	47	0.0	-70.66	367.55	7.47	-63.19
CC[NH+](CC)CCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063627	1	47	0.0	-70.67	367.60	7.48	-63.19
C[NH+]1CCN(CCOC2=CC=C(C3=CN=CC(C4=N[N-]N=N4)=C3)C=C2)CC1	REAL300020063628	0	50	0.0	-63.83	390.14	5.39	-58.44
C[NH+]1CCN(CCOC2=CC=C(C3=CN=CC(C4=NN=N[N-]4)=C3)C=C2)CC1	REAL300020063628	1	50	0.0	-63.81	390.20	5.40	-58.41
C[NH+]1CCN(CCOC2=CC=C(C3=CC=C(C4=N[N-]N=N4)N=C3)C=C2)CC1	REAL300020063629	0	50	0.0	-70.69	390.46	5.35	-65.34
C[NH+]1CCN(CCOC2=CC=C(C3=CC=C(C4=NN=N[N-]4)N=C3)C=C2)CC1	REAL300020063629	1	50	0.0	-70.63	390.51	5.34	-65.29
COCCC[N@H+](C)CCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063654	0	51	0.0	-67.55	404.94	6.65	-60.90
COCCC[N@@H+](C)CCOC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063654	1	51	0.0	-67.58	404.92	6.63	-60.95
COCCC[N@H+](C)CCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063654	1	51	0.0	-67.55	405.00	6.66	-60.89
COCCC[N@@H+](C)CCOC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063654	1	51	0.0	-67.57	404.98	6.64	-60.93
COCCC[N@H+](C)CCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063655	0	51	0.0	-75.64	405.26	6.61	-69.03
COCCC[N@@H+](C)CCOC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063655	1	51	0.0	-75.64	405.24	6.60	-69.04
COCCC[N@H+](C)CCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063655	1	51	0.0	-75.62	405.30	6.60	-69.02
COCCC[N@@H+](C)CCOC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063655	1	51	0.0	-75.65	405.29	6.59	-69.06
CC1CC[NH+](CCOC2=CC=CC(C3=CN=CC(C4=N[N-]N=N4)=C3)=C2)CC1	REAL300020063656	0	51	0.0	-66.60	394.37	8.61	-57.99
CC1CC[NH+](CCOC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)CC1	REAL300020063656	1	51	0.0	-66.58	394.43	8.62	-57.96
CC1CC[NH+](CCOC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)CC1	REAL300020063657	0	51	0.0	-69.68	394.69	8.57	-61.11
CC1CC[NH+](CCOC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)CC1	REAL300020063657	1	51	0.0	-69.71	394.74	8.57	-61.14
CCC1CCC[N@@H+]1CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063658	0	47	0.0	-62.80	367.34	8.84	-53.96
CCC1CCC[N@H+]1CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063658	1	47	0.0	-63.17	359.60	8.42	-54.75
CCC1CCC[N@@H+]1CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063658	1	47	0.0	-62.76	367.40	8.85	-53.91
CCC1CCC[N@H+]1CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063658	1	47	0.0	-63.13	359.65	8.43	-54.70
CCC1CCC[N@@H+]1CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063659	0	47	0.0	-70.30	367.65	8.80	-61.50
CCC1CCC[N@H+]1CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063659	1	47	0.0	-69.26	365.90	8.91	-60.35
CCC1CCC[N@@H+]1CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063659	1	47	0.0	-70.26	367.71	8.78	-61.48
CCC1CCC[N@H+]1CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063659	1	47	0.0	-69.23	365.95	8.90	-60.33
COC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1C[NH+](C)C	REAL300020063662	0	41	0.0	-65.56	325.63	5.95	-59.61
COC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1C[NH+](C)C	REAL300020063662	1	41	0.0	-65.52	325.69	5.97	-59.55
COC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1C[NH+](C)C	REAL300020063663	0	41	0.0	-67.26	325.95	5.93	-61.33
COC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1C[NH+](C)C	REAL300020063663	1	41	0.0	-67.26	326.00	5.92	-61.34
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1C[NH+]1CCCCC1	REAL300020063674	0	44	0.0	-65.17	343.77	8.25	-56.92
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1C[NH+]1CCCCC1	REAL300020063674	1	44	0.0	-65.17	343.83	8.26	-56.91
C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1C[NH+]1CCCCC1	REAL300020063675	0	44	0.0	-72.16	343.78	8.16	-64.00
C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1C[NH+]1CCCCC1	REAL300020063675	1	44	0.0	-72.12	343.82	8.15	-63.97
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OCCC[NH+]1CCCCC1	REAL300020063678	0	51	0.0	-68.11	396.24	8.70	-59.41
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OCCC[NH+]1CCCCC1	REAL300020063678	1	51	0.0	-68.09	396.31	8.71	-59.38
C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OCCC[NH+]1CCCCC1	REAL300020063679	0	51	0.0	-72.87	396.10	8.64	-64.23
C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OCCC[NH+]1CCCCC1	REAL300020063679	1	51	0.0	-72.87	396.15	8.63	-64.24
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063692	0	48	0.0	-65.54	373.72	8.04	-57.50
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063692	1	48	0.0	-65.55	373.78	8.05	-57.50
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063693	0	48	0.0	-68.85	374.03	7.99	-60.86
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063693	1	48	0.0	-68.82	374.09	7.98	-60.84
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063714	0	48	0.0	-65.54	373.72	8.04	-57.50
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063714	1	48	0.0	-65.55	373.78	8.05	-57.50
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063715	0	48	0.0	-68.85	374.03	7.99	-60.86
C1=CC(OCC[NH+]2CCCCC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063715	1	48	0.0	-68.82	374.09	7.98	-60.84
C[NH+](C)CCOC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063716	0	41	0.0	-66.17	332.06	6.17	-60.00
C[NH+](C)CCOC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063716	1	41	0.0	-66.13	332.12	6.18	-59.95
C[NH+](C)CCOC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063717	0	41	0.0	-69.17	332.39	6.12	-63.05
C[NH+](C)CCOC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063717	1	41	0.0	-69.20	332.44	6.11	-63.09
CC1CCC[N@@H+]1CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063726	0	44	0.0	-65.64	347.41	8.18	-57.46
CC1CCC[N@H+]1CC1=CC=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020063726	1	44	0.0	-65.61	348.56	8.22	-57.39
CC1CCC[N@@H+]1CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063726	1	44	0.0	-65.67	347.35	8.17	-57.50
CC1CCC[N@H+]1CC1=CC=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020063726	1	44	0.0	-65.60	348.50	8.21	-57.39
CC1CCC[N@@H+]1CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063727	0	44	0.0	-66.92	340.42	7.73	-59.19
CC1CCC[N@H+]1CC1=CC=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020063727	1	44	0.0	-66.95	340.45	7.75	-59.20
CC1CCC[N@@H+]1CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063727	1	44	0.0	-66.88	340.47	7.73	-59.15
CC1CCC[N@H+]1CC1=CC=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020063727	1	44	0.0	-66.94	340.50	7.74	-59.20
CC1CCC[N@@H+]1CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063728	0	44	0.0	-62.59	348.06	8.18	-54.41
CC1CCC[N@H+]1CC1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300020063728	1	44	0.0	-62.75	340.02	7.78	-54.97
CC1CCC[N@@H+]1CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063728	1	44	0.0	-62.58	348.13	8.20	-54.38
CC1CCC[N@H+]1CC1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020063728	1	44	0.0	-62.76	340.08	7.79	-54.97
CC1CCC[N@@H+]1CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063729	0	44	0.0	-69.80	340.35	7.74	-62.06
CC1CCC[N@H+]1CC1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C=C1	REAL300020063729	1	44	0.0	-69.79	340.34	7.74	-62.05
CC1CCC[N@@H+]1CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063729	1	44	0.0	-69.79	340.40	7.74	-62.05
CC1CCC[N@H+]1CC1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C=C1	REAL300020063729	1	44	0.0	-69.78	340.39	7.74	-62.04
C[NH+](C)CCOC1=CC=CC=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL300020063800	0	41	0.0	-56.68	337.56	6.47	-50.21
C[NH+](C)CCOC1=CC=CC=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL300020063800	1	41	0.0	-56.69	337.62	6.48	-50.21
C[NH+](C)CCOC1=CC=CC=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL300020063801	0	41	0.0	-58.51	337.50	6.44	-52.07
C[NH+](C)CCOC1=CC=CC=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL300020063801	1	41	0.0	-58.50	337.56	6.43	-52.07
CC(=O)N1CC[NH+](CC2=CC=CC(C3=CN=CC(C4=NN=N[N-]4)=C3)=C2)CC1	REAL300020063884	1	48	0.0	-79.05	378.94	7.06	-71.99
CC(=O)N1CC[NH+](CC2=CC=CC(C3=CC=C(C4=N[N-]N=N4)N=C3)=C2)CC1	REAL300020063885	1	48	0.0	-80.26	378.20	6.95	-73.31
CC(=O)N1CC[NH+](CC2=CC=CC(C3=CC=C(C4=NN=N[N-]4)N=C3)=C2)CC1	REAL300020063885	1	48	0.0	-80.29	378.25	6.95	-73.34
C1=CC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C(C[NH+]2CCCCC2)=C1	REAL300020063898	0	44	0.0	-52.22	343.93	8.26	-43.96
C1=CC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C(C[NH+]2CCCCC2)=C1	REAL300020063898	1	44	0.0	-52.22	343.87	8.25	-43.97
C1=CC=C(C2=CC=C(C3=NN=N[N-]3)N=C2)C(C[NH+]2CCCCC2)=C1	REAL300020063899	0	44	0.0	-54.42	344.23	8.20	-46.22
C1=CC=C(C2=CC=C(C3=N[N-]N=N3)N=C2)C(C[NH+]2CCCCC2)=C1	REAL300020063899	1	44	0.0	-54.40	344.18	8.21	-46.19
C1=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=CC=C1OCCC[NH+]1CCCC1	REAL300020064016	0	48	0.0	-63.99	380.58	8.00	-55.99
C1=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=CC=C1OCCC[NH+]1CCCC1	REAL300020064016	1	48	0.0	-63.95	380.64	8.01	-55.94
C1=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=CC=C1OCCC[NH+]1CCCC1	REAL300020064017	0	48	0.0	-72.57	380.89	7.97	-64.60
C1=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=CC=C1OCCC[NH+]1CCCC1	REAL300020064017	1	48	0.0	-72.55	380.93	7.96	-64.59
C1=CC(C[NH+]2CCCC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020064024	0	41	0.0	-67.80	328.81	7.59	-60.21
C1=CC(C[NH+]2CCCC2)=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL300020064024	1	41	0.0	-67.77	328.75	7.58	-60.19
C1=CC(C[NH+]2CCCC2)=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL300020064025	0	41	0.0	-68.93	326.78	7.44	-61.49
C1=CC(C[NH+]2CCCC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020064025	1	41	0.0	-68.91	326.83	7.44	-61.47
C1=NC=C(C2=CN=CC(C3=N[N-]N=N3)=C2)C=C1OCCC[NH+]1CCCC1	REAL300020064032	0	47	0.0	-67.41	375.70	6.19	-61.22
C1=NC=C(C2=CN=CC(C3=NN=N[N-]3)=C2)C=C1OCCC[NH+]1CCCC1	REAL300020064032	1	47	0.0	-67.42	375.76	6.20	-61.22
C1=C(C2=CN=CC(OCCC[NH+]3CCCC3)=C2)C=NC(C2=N[N-]N=N2)=C1	REAL300020064033	0	47	0.0	-71.12	374.41	6.05	-65.07
C1=C(C2=CN=CC(OCCC[NH+]3CCCC3)=C2)C=NC(C2=NN=N[N-]2)=C1	REAL300020064033	1	47	0.0	-71.06	374.46	6.04	-65.02
C1=CC(C[NH+]2CCOCC2)=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL300020064042	1	42	0.0	-70.65	335.17	5.85	-64.80
C1=CC(C[NH+]2CCOCC2)=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL300020064043	1	42	0.0	-72.12	335.48	5.80	-66.32