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CC1(C)CN(C(=O)CCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020135901	1	48	0.0	-58.76	359.13	7.27	-51.49
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C[N@@H+](CCN1CCN(C(=O)CCC2=N[N-]N=N2)CC1)CC1=CC=CC=C1	REAL300020135912	1	53	0.0	-66.70	404.18	5.98	-60.72
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CC(C)[N@@H+]1CCOC(CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C1	REAL300020135968	0	54	0.0	-63.78	398.81	3.31	-60.47
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CC(C)[N@@H+](C)CC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020136007	1	47	0.0	-61.44	370.41	5.80	-55.64
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O=C(CCC1=N[N-]N=N1)NC1=CC=CC(OCC[NH+]2CCCC2)=C1	REAL300020136033	0	46	0.0	-60.32	364.69	5.27	-55.05
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(OCC[NH+]2CCCC2)=C1	REAL300020136033	1	46	0.0	-60.33	364.75	5.29	-55.04
O=C(CCC1=N[N-]N=N1)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020136035	0	46	0.0	-65.54	354.68	7.42	-58.12
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C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)CCC1=N[N-]N=N1	REAL300020136049	0	43	0.0	-56.44	348.47	5.21	-51.23
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)CCC1=NN=N[N-]1	REAL300020136049	1	43	0.0	-56.45	348.53	5.22	-51.23
CC(C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1)[NH+]1CCOCC1	REAL300020136052	1	46	0.0	-64.34	357.74	4.58	-59.76
C[NH+](C)CCCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136074	0	45	0.0	-68.42	362.32	4.91	-63.51
C[NH+](C)CCCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136074	1	45	0.0	-68.43	362.38	4.93	-63.50
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020136080	0	47	0.0	-59.33	372.34	4.35	-54.98
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020136080	1	47	0.0	-59.31	372.39	4.36	-54.95
CC[NH+]1CCN(C2CCN(C(=O)CCC3=N[N-]N=N3)C2)CC1	REAL300020136106	0	47	0.0	-63.81	354.55	3.31	-60.50
CC[NH+]1CCN(C2CCN(C(=O)CCC3=NN=N[N-]3)C2)CC1	REAL300020136106	1	47	0.0	-63.79	354.61	3.32	-60.47
C[NH+](C)CCNC(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136109	0	48	0.0	-72.71	393.50	3.11	-69.60
C[NH+](C)CCNC(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136109	1	48	0.0	-72.71	393.55	3.13	-69.58
C[NH+](C)CCOC1=CC=C(CCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136110	0	48	0.0	-65.51	387.33	5.14	-60.37
C[NH+](C)CCOC1=CC=C(CCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136110	1	48	0.0	-65.50	387.38	5.16	-60.34
CN1CCC([N@@H+]2CCC(NC(=O)CCC3=N[N-]N=N3)C2)CC1	REAL300020136121	0	47	0.0	-62.31	356.00	2.08	-60.23
CN1CCC([N@H+]2CCC(NC(=O)CCC3=N[N-]N=N3)C2)CC1	REAL300020136121	1	47	0.0	-62.09	355.25	1.95	-60.14
CN1CCC([N@@H+]2CCC(NC(=O)CCC3=NN=N[N-]3)C2)CC1	REAL300020136121	1	47	0.0	-62.30	356.06	2.09	-60.21
CN1CCC([N@H+]2CCC(NC(=O)CCC3=NN=N[N-]3)C2)CC1	REAL300020136121	1	47	0.0	-62.10	355.30	1.96	-60.14
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)CCC3=N[N-]N=N3)=C2)C1	REAL300020136125	0	52	0.0	-68.30	413.49	3.08	-65.22
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)CCC3=N[N-]N=N3)=C2)C1	REAL300020136125	1	52	0.0	-65.66	407.18	3.27	-62.39
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)CCC3=NN=N[N-]3)=C2)C1	REAL300020136125	1	52	0.0	-68.33	413.55	3.10	-65.23
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)CCC3=NN=N[N-]3)=C2)C1	REAL300020136125	1	52	0.0	-65.66	407.24	3.28	-62.38
CC1(C)C[N@@H+](C2(CNC(=O)CCC3=N[N-]N=N3)CCCCC2)CCO1	REAL300020136128	0	55	0.0	-56.86	382.49	4.45	-52.41
CC1(C)C[N@H+](C2(CNC(=O)CCC3=N[N-]N=N3)CCCCC2)CCO1	REAL300020136128	1	55	0.0	-57.45	382.14	4.42	-53.03
CC1(C)C[N@@H+](C2(CNC(=O)CCC3=NN=N[N-]3)CCCCC2)CCO1	REAL300020136128	1	55	0.0	-56.89	382.54	4.47	-52.42
CC1(C)C[N@H+](C2(CNC(=O)CCC3=NN=N[N-]3)CCCCC2)CCO1	REAL300020136128	1	55	0.0	-57.45	382.20	4.44	-53.01
CN(C(=O)CCC1=N[N-]N=N1)C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300020136162	0	50	0.0	-61.28	368.94	3.74	-57.54
CN(C(=O)CCC1=N[N-]N=N1)C1CC[N@H+](C2CCN(C)CC2)C1	REAL300020136162	1	50	0.0	-61.84	366.63	3.74	-58.10
CN(C(=O)CCC1=NN=N[N-]1)C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300020136162	1	50	0.0	-61.27	369.00	3.76	-57.51
CN(C(=O)CCC1=NN=N[N-]1)C1CC[N@H+](C2CCN(C)CC2)C1	REAL300020136162	1	50	0.0	-61.83	366.69	3.75	-58.08
C[NH+]1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C(C(F)(F)F)=C2)CC1	REAL300020136185	0	47	0.0	-68.12	378.48	4.92	-63.20
C[NH+]1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C(C(F)(F)F)=C2)CC1	REAL300020136185	1	47	0.0	-68.12	378.54	4.94	-63.18
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020136187	0	50	0.0	-48.99	367.86	6.48	-42.51
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020136187	1	50	0.0	-56.27	376.08	7.58	-48.69
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020136187	1	50	0.0	-49.01	367.92	6.50	-42.51
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020136187	1	50	0.0	-56.27	376.14	7.60	-48.67
O=C(CCC1=N[N-]N=N1)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300020136189	0	48	0.0	-66.73	366.61	0.42	-66.31
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O=C(CCC1=NN=N[N-]1)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300020136189	1	48	0.0	-66.78	366.67	0.43	-66.35
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O=C(CCC1=NN=N[N-]1)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300020136199	1	51	0.0	-52.94	378.62	7.53	-45.41
C[NH+](C)CCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020136217	0	42	0.0	-61.90	355.72	4.82	-57.08
C[NH+](C)CCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020136217	1	42	0.0	-61.93	355.78	4.84	-57.09
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CC1=CC=CC(NCC2CCCN2C(=O)CCC2=N[N-]N=N2)=[NH+]1	REAL300020136244	1	44	0.0	-52.55	352.62	4.89	-47.66
CC1=CC=CC(NCC2CCCN2C(=O)CCC2=NN=N[N-]2)=[NH+]1	REAL300020136244	1	44	0.0	-52.56	352.68	4.90	-47.66
CCC1CCC[N@@H+](C(C)(C)CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020136249	0	50	0.0	-55.54	361.04	5.20	-50.34
CCC1CCC[N@H+](C(C)(C)CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020136249	1	50	0.0	-55.88	360.67	5.20	-50.68
CCC1CCC[N@@H+](C(C)(C)CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020136249	1	50	0.0	-55.54	361.10	5.21	-50.33
CCC1CCC[N@H+](C(C)(C)CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020136249	1	50	0.0	-55.90	360.73	5.21	-50.69
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O=C(CCC1=N[N-]N=N1)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300020138702	0	46	0.0	-65.39	364.19	5.77	-59.62
O=C(CCC1=N[N-]N=N1)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300020138702	1	46	0.0	-66.12	364.43	5.82	-60.30
O=C(CCC1=NN=N[N-]1)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300020138702	1	46	0.0	-65.43	364.24	5.79	-59.64
O=C(CCC1=NN=N[N-]1)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300020138702	1	46	0.0	-66.16	364.49	5.83	-60.33
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)CCC2=N[N-]N=N2)=C1	REAL300020138741	0	48	0.0	-67.04	382.15	6.32	-60.72
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)CCC2=NN=N[N-]2)=C1	REAL300020138741	1	48	0.0	-67.05	382.21	6.33	-60.72
O=C(CCC1=N[N-]N=N1)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300020138752	0	49	0.0	-64.56	379.23	4.97	-59.59
O=C(CCC1=N[N-]N=N1)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300020138752	1	49	0.0	-64.75	379.97	4.88	-59.87
O=C(CCC1=NN=N[N-]1)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300020138752	1	49	0.0	-64.61	379.28	4.98	-59.63
O=C(CCC1=NN=N[N-]1)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300020138752	1	49	0.0	-64.75	380.03	4.90	-59.85
C[NH+](C)CCC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138787	0	44	0.0	-67.15	358.43	5.44	-61.71
C[NH+](C)CCC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138787	1	44	0.0	-67.17	358.48	5.46	-61.71
CC[NH+](CC)CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138805	0	44	0.0	-62.59	344.93	5.82	-56.77
CC[NH+](CC)CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138805	1	44	0.0	-62.61	344.99	5.84	-56.77
CCC[NH+]1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C(OCC)=C2)CC1	REAL300020138819	0	57	0.0	-67.27	432.20	5.38	-61.89
CCC[NH+]1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C(OCC)=C2)CC1	REAL300020138819	1	57	0.0	-67.29	432.26	5.39	-61.90
CC1=CC=CC=C1C(C(C)NC(=O)CCC1=N[N-]N=N1)[NH+](C)C	REAL300020138827	0	47	0.0	-57.12	350.65	5.93	-51.19
CC1=CC=CC=C1C(C(C)NC(=O)CCC1=NN=N[N-]1)[NH+](C)C	REAL300020138827	1	47	0.0	-57.14	350.71	5.94	-51.20
CN1CC[NH+](CCC(C)(C)NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020138855	0	49	0.0	-65.71	361.79	2.08	-63.63
CN1CC[NH+](CCC(C)(C)NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020138855	1	49	0.0	-65.72	361.85	2.10	-63.62
CC(C)(CC[NH+]1CCCCCC1)NC(=O)CCC1=N[N-]N=N1	REAL300020138891	0	50	0.0	-65.74	355.59	4.88	-60.86
CC(C)(CC[NH+]1CCCCCC1)NC(=O)CCC1=NN=N[N-]1	REAL300020138891	1	50	0.0	-65.73	355.64	4.90	-60.83
CN(C(=O)CCC1=N[N-]N=N1)C(C)(C)C[NH+]1CCCCCC1	REAL300020138940	0	50	0.0	-62.51	340.50	5.80	-56.71
CN(C(=O)CCC1=NN=N[N-]1)C(C)(C)C[NH+]1CCCCCC1	REAL300020138940	1	50	0.0	-62.52	340.56	5.81	-56.71
CC(NC(=O)CCC1=N[N-]N=N1)C(C1=CC=CC=C1)[NH+](C)C	REAL300020138945	0	44	0.0	-60.95	336.80	5.25	-55.70
CC(NC(=O)CCC1=NN=N[N-]1)C(C1=CC=CC=C1)[NH+](C)C	REAL300020138945	1	44	0.0	-60.95	336.85	5.27	-55.68
CC[NH+]1CCN(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)CC1	REAL300020138960	0	47	0.0	-67.30	361.62	4.33	-62.97
CC[NH+]1CCN(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)CC1	REAL300020138960	1	47	0.0	-67.30	361.67	4.35	-62.95
C[NH+](C)C(CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020138964	0	44	0.0	-68.51	365.51	5.59	-62.92
C[NH+](C)C(CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020138964	1	44	0.0	-68.57	365.56	5.60	-62.97
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300020139004	1	41	0.0	-61.86	341.64	4.51	-57.35
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)CCC1=N[N-]N=N1)C1CC1	REAL300020139005	0	48	0.0	-60.17	373.89	6.59	-53.58
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)CCC1=N[N-]N=N1)C1CC1	REAL300020139005	1	48	0.0	-60.97	370.32	6.47	-54.50
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)CCC1=NN=N[N-]1)C1CC1	REAL300020139005	1	48	0.0	-60.14	373.95	6.60	-53.54
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)CCC1=NN=N[N-]1)C1CC1	REAL300020139005	1	48	0.0	-60.96	370.38	6.48	-54.48
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020139011	0	50	0.0	-64.46	383.05	7.33	-57.13
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020139011	1	50	0.0	-65.40	385.24	7.08	-58.32
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020139011	1	50	0.0	-64.47	383.10	7.34	-57.13
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020139011	1	50	0.0	-65.38	385.30	7.10	-58.28
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300020140255	1	56	0.0	-80.83	423.82	7.26	-73.57
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141125	0	55	0.0	-73.92	409.18	7.16	-66.76
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141125	1	55	0.0	-73.93	409.24	7.18	-66.75
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141131	0	56	0.0	-80.58	422.08	5.51	-75.07
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141131	1	56	0.0	-80.54	422.13	5.53	-75.01
O=C(C1CCC[N@@H+]1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141246	0	49	0.0	-60.95	366.75	7.28	-53.67
O=C(C1CCC[N@H+]1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141246	1	49	0.0	-61.56	366.86	7.24	-54.32
O=C(CCCC[NH+]1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141298	0	48	0.0	-69.83	361.60	6.50	-63.33
O=C(CCCC[NH+]1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141298	1	48	0.0	-69.84	361.66	6.53	-63.31
C[N@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020141342	1	45	0.0	-69.85	346.95	6.75	-63.10
C[N@@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020141342	1	45	0.0	-69.84	347.04	6.76	-63.08
O=C(C1CCC[N@H+](CC2=CC=CN=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141353	0	51	0.0	-71.03	384.93	6.45	-64.58
O=C(C1CCC[N@@H+](CC2=CC=CN=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141353	1	51	0.0	-56.66	385.01	6.45	-50.21
O=C(C1CCC[N@H+](CC2=CC=CN=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141353	1	51	0.0	-71.02	384.88	6.42	-64.60
O=C(C1CCC[N@@H+](CC2=CC=CN=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141353	1	51	0.0	-56.62	384.95	6.42	-50.20
O=C(C(C1=CC=CC=C1)[NH+]1CCSCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141354	1	50	0.0	-59.88	383.12	8.06	-51.82
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CC(C)OC(C)C1	REAL300020141366	1	55	0.0	-61.42	377.78	5.64	-55.78
O=C(C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141368	0	52	0.0	-55.00	397.14	8.30	-46.70
O=C(C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141368	1	52	0.0	-71.31	397.24	8.31	-63.00
O=C(C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141368	1	52	0.0	-55.03	397.20	8.32	-46.71
O=C(C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141368	1	52	0.0	-71.30	397.30	8.34	-62.96
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141369	0	52	0.0	-76.96	390.51	8.24	-68.72
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141369	1	52	0.0	-76.92	390.57	8.27	-68.65
O=C(C1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141370	0	52	0.0	-73.09	391.01	8.26	-64.83
O=C(C1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141370	1	52	0.0	-70.55	380.89	8.10	-62.45
O=C(C1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141370	1	52	0.0	-73.07	391.07	8.28	-64.79
O=C(C1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141370	1	52	0.0	-70.63	380.95	8.13	-62.50
C#CC[NH+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020141371	0	44	0.0	-75.05	339.35	5.89	-69.16
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141372	0	48	0.0	-59.95	350.28	6.15	-53.80
CCC[N@H+]1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141372	1	48	0.0	-63.08	342.25	5.79	-57.29
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300020141373	0	51	0.0	-60.86	354.48	6.61	-54.25
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)[NH+]1CCCCC1	REAL300020141373	1	51	0.0	-60.88	354.42	6.59	-54.29
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020141406	0	57	0.0	-75.98	416.33	6.68	-69.30
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020141406	1	57	0.0	-75.96	416.39	6.70	-69.26
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020141506	0	48	0.0	-47.44	367.22	6.25	-41.19
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141516	0	54	0.0	-76.67	404.86	8.39	-68.28
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141516	1	54	0.0	-77.36	404.92	8.41	-68.95
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141516	1	54	0.0	-76.65	404.91	8.42	-68.23
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141516	1	54	0.0	-77.38	404.97	8.44	-68.94
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141540	0	52	0.0	-76.96	390.51	8.24	-68.72
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141540	1	52	0.0	-76.92	390.57	8.27	-68.65
C[NH+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141543	1	45	0.0	-60.04	338.42	6.37	-53.67
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300020141548	0	54	0.0	-76.35	387.82	7.69	-68.66
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300020141548	1	54	0.0	-76.30	390.09	7.85	-68.45
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020141548	1	54	0.0	-76.34	387.87	7.71	-68.63
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020141548	1	54	0.0	-76.30	390.15	7.88	-68.42
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=CS1	REAL300020141565	1	51	0.0	-75.38	397.77	6.00	-69.38
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141643	1	43	0.0	-65.99	341.24	6.10	-59.89
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141643	1	43	0.0	-65.96	341.30	6.12	-59.84
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1C(C)CCC1C	REAL300020141657	0	48	0.0	-60.26	338.60	5.66	-54.60
CC[NH+](CC)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141714	0	51	0.0	-62.27	366.44	7.57	-54.70
CCC[NH+](CCC)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141749	0	53	0.0	-69.47	388.35	7.10	-62.37
CCC[NH+](CCC)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141749	1	53	0.0	-69.44	388.41	7.13	-62.31
CC[N@H+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141750	1	48	0.0	-59.25	357.73	7.08	-52.17
CC[N@@H+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141750	1	48	0.0	-58.62	358.45	7.08	-51.54
C[NH+]1CCN(C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2)CC1	REAL300020141767	1	54	0.0	-66.33	401.87	6.12	-60.21
O=C(CC[NH+]1CCN(C(=O)C2CCCO2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141780	1	57	0.0	-88.18	422.94	5.64	-82.54
O=C(CC[NH+]1CCN(C(=O)C2CCCO2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141780	1	57	0.0	-88.19	422.99	5.67	-82.52
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300020141783	0	58	0.0	-62.88	426.71	9.58	-53.30
O=C(C1CCCC[N@@H+]1CC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141796	1	51	0.0	-65.82	382.32	6.55	-59.27
O=C(C1CCCC[N@H+]1CC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141796	1	51	0.0	-66.18	371.27	6.04	-60.14
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141845	0	59	0.0	-54.83	436.62	8.69	-46.14
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141845	1	59	0.0	-57.51	430.18	8.54	-48.97
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141845	1	59	0.0	-54.91	436.68	8.71	-46.20
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141845	1	59	0.0	-57.52	430.24	8.56	-48.96
C[NH+](C)CCN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020141846	0	49	0.0	-69.03	373.85	4.48	-64.55
C[NH+](C)CCN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020141846	1	49	0.0	-69.07	373.91	4.51	-64.56
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020141851	0	56	0.0	-57.93	410.80	6.48	-51.45
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020141851	1	56	0.0	-57.72	407.13	6.86	-50.86
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020141851	1	56	0.0	-57.92	410.86	6.51	-51.41
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020141851	1	56	0.0	-57.74	407.19	6.89	-50.85
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141858	0	57	0.0	-74.65	424.54	7.32	-67.33
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141858	1	57	0.0	-74.63	424.60	7.34	-67.29
O=C(C1CCCC[N@@H+]1CC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141859	1	51	0.0	-62.13	381.35	6.39	-55.74
O=C(C1CCCC[N@H+]1CC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141859	1	51	0.0	-66.31	381.79	6.49	-59.82
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141860	0	55	0.0	-63.83	400.79	8.63	-55.20
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141860	1	55	0.0	-60.82	407.89	8.92	-51.90
CCCCCC[N@H+](C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141861	0	50	0.0	-66.47	374.02	6.90	-59.57
CCCCCC[N@@H+](C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141861	1	50	0.0	-66.49	374.02	6.91	-59.58
C[NH+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020141879	1	45	0.0	-64.26	358.27	6.92	-57.34
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CC[NH+](C)CC1	REAL300020141917	1	47	0.0	-54.80	337.57	2.66	-52.14
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020141942	1	49	0.0	-46.95	364.74	7.47	-39.48
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020141942	1	49	0.0	-65.43	365.60	7.54	-57.89
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCCCCC1	REAL300020142022	0	48	0.0	-59.63	334.94	5.50	-54.13
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)[NH+]1CCCCCC1	REAL300020142022	1	48	0.0	-59.64	334.88	5.48	-54.16
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142058	1	46	0.0	-61.33	355.69	6.33	-55.00
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142058	1	46	0.0	-61.32	355.75	6.36	-54.96
C[NH+](C)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020142059	0	48	0.0	-58.48	372.24	6.92	-51.56
C[NH+](C)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020142059	1	48	0.0	-58.50	372.29	6.95	-51.55
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142091	0	45	0.0	-72.40	358.74	5.46	-66.94
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142091	1	45	0.0	-72.39	358.68	5.43	-66.96
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020142151	0	50	0.0	-65.31	376.92	4.54	-60.77
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020142151	1	50	0.0	-65.01	377.36	4.56	-60.45
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020142151	1	50	0.0	-65.29	376.98	4.56	-60.73
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020142151	1	50	0.0	-64.99	377.42	4.58	-60.41
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300020142214	1	48	0.0	-65.01	363.61	7.11	-57.90
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300020142214	1	48	0.0	-65.79	363.66	7.13	-58.66
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142251	1	53	0.0	-77.56	404.58	7.73	-69.83
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142251	1	53	0.0	-76.11	394.18	7.22	-68.89
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142282	0	45	0.0	-71.60	348.97	6.35	-65.25
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142282	1	45	0.0	-71.58	349.03	6.38	-65.20
CC[NH+]1CCN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142283	0	50	0.0	-70.01	368.38	3.80	-66.21
CC[NH+]1CCN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142283	1	50	0.0	-70.04	368.44	3.83	-66.21
O=C(C1CCCC[N@@H+]1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142288	0	52	0.0	-61.53	387.37	8.31	-53.22
O=C(C1CCCC[N@H+]1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142288	1	52	0.0	-61.63	387.63	8.31	-53.32
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300020142314	0	57	0.0	-73.88	424.48	7.20	-66.68
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020142314	1	57	0.0	-73.88	424.54	7.23	-66.65
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142315	0	54	0.0	-73.83	403.04	6.52	-67.31
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142315	1	54	0.0	-73.83	403.10	6.55	-67.28
CC[NH+](CC)CCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142316	0	48	0.0	-72.13	368.41	6.25	-65.88
CC[NH+](CC)CCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142316	1	48	0.0	-72.15	368.47	6.27	-65.88
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142317	0	53	0.0	-73.72	400.83	5.95	-67.77
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142317	1	53	0.0	-73.71	400.89	5.98	-67.73
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300020142318	0	54	0.0	-56.32	407.47	5.76	-50.56
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300020142318	1	54	0.0	-56.33	407.52	5.79	-50.54
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142329	0	53	0.0	-70.94	363.15	4.86	-66.08
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142329	1	53	0.0	-70.96	363.21	4.89	-66.07
O=C(C1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142332	1	50	0.0	-71.08	373.14	6.83	-64.25
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142332	1	50	0.0	-71.85	372.97	6.80	-65.05
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020142340	0	54	0.0	-75.59	407.45	5.78	-69.81
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020142340	1	54	0.0	-75.61	407.51	5.80	-69.81
CCC(CC)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCOCC1	REAL300020142424	1	55	0.0	-59.48	371.50	5.36	-54.12
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142489	0	52	0.0	-73.86	394.84	8.40	-65.46
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142489	1	52	0.0	-74.13	395.91	8.44	-65.69
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142489	1	52	0.0	-73.89	394.90	8.43	-65.46
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142489	1	52	0.0	-74.17	395.97	8.47	-65.70
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142514	0	52	0.0	-68.14	372.52	6.90	-61.24
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142514	1	52	0.0	-68.88	373.30	6.92	-61.96
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142514	1	52	0.0	-68.11	372.58	6.92	-61.19
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142514	1	52	0.0	-68.92	373.36	6.95	-61.97
O=C(C1CCCC[N@H+]1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142531	1	52	0.0	-64.77	392.83	8.31	-56.46
O=C(C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142531	1	52	0.0	-68.79	385.86	8.03	-60.76
O=C(C1CCC[N@H+]1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142532	1	49	0.0	-68.38	379.66	7.71	-60.67
O=C(C1CCC[N@@H+]1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142532	1	49	0.0	-64.57	373.16	7.34	-57.23
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142604	1	59	0.0	-79.14	437.04	6.31	-72.83
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142604	1	59	0.0	-79.17	437.09	6.34	-72.83
C[NH+](C)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020142706	0	42	0.0	-49.03	336.86	5.40	-43.63
C[NH+](C)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020142706	1	42	0.0	-49.04	336.92	5.43	-43.61
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020142814	0	53	0.0	-64.96	389.94	5.12	-59.84
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020142814	1	53	0.0	-65.41	389.89	5.09	-60.32
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020142814	1	53	0.0	-64.99	389.99	5.15	-59.84
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020142814	1	53	0.0	-65.41	389.95	5.12	-60.29
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142959	0	46	0.0	-69.32	339.94	3.67	-65.65
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142959	1	46	0.0	-69.32	339.99	3.69	-65.63
O=C(C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142991	1	53	0.0	-62.32	394.28	4.94	-57.38
C[N@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCSC1	REAL300020142998	0	43	0.0	-69.74	329.68	5.42	-64.32
C[N@@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCSC1	REAL300020142998	1	43	0.0	-70.88	329.63	5.38	-65.50
O=C(C1CCC[N@@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143066	0	49	0.0	-61.03	352.29	6.44	-54.59
O=C(C1CCC[N@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143066	1	49	0.0	-62.59	354.56	6.54	-56.05
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCSCC1	REAL300020143136	1	43	0.0	-64.16	327.35	5.10	-59.06
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020143190	0	55	0.0	-63.01	395.21	8.24	-54.77
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020143190	1	55	0.0	-63.03	395.27	8.27	-54.76
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC2=C[NH+]=CN21	REAL300020143206	1	40	0.0	-69.39	322.68	6.76	-62.63
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020143475	1	50	0.0	-68.94	401.15	6.38	-62.56
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143575	0	55	0.0	-73.25	425.62	9.94	-63.31
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143575	1	55	0.0	-74.70	423.86	9.88	-64.82
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143575	1	55	0.0	-73.24	425.67	9.97	-63.27
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143575	1	55	0.0	-74.71	423.92	9.91	-64.80
C[NH+](C)C(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020143642	0	48	0.0	-74.69	360.00	7.18	-67.51
C[NH+](C)C(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020143642	1	48	0.0	-74.66	360.06	7.21	-67.45
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143655	0	52	0.0	-62.79	361.10	7.48	-55.31
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143655	1	52	0.0	-58.46	364.87	6.86	-51.60
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143655	1	52	0.0	-62.78	361.04	7.45	-55.33
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143655	1	52	0.0	-58.54	364.81	6.84	-51.70
O=C(CCCC[NH+]1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143746	1	49	0.0	-73.13	368.54	4.79	-68.34
O=C(CCCC[NH+]1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143746	1	49	0.0	-73.17	368.60	4.81	-68.36
O=C(C1CC[NH+](C2CC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143976	0	46	0.0	-69.94	339.46	5.92	-64.02
O=C(C1CC[NH+](C2CC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143976	1	46	0.0	-69.95	339.52	5.94	-64.01
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144159	0	52	0.0	-77.65	390.41	8.21	-69.44
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144159	1	52	0.0	-77.60	390.46	8.23	-69.37
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144193	0	49	0.0	-77.24	372.77	7.42	-69.82
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144193	1	49	0.0	-77.22	372.83	7.45	-69.77
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144195	1	59	0.0	-70.15	437.73	4.86	-65.29
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144196	1	46	0.0	-64.84	330.75	4.35	-60.49
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144196	1	46	0.0	-46.15	330.87	4.38	-41.77
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144196	1	46	0.0	-64.87	330.80	4.38	-60.49
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144196	1	46	0.0	-46.16	330.92	4.40	-41.76
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144211	0	51	0.0	-76.64	376.19	7.27	-69.37
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144211	1	51	0.0	-76.66	376.25	7.30	-69.36
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144235	0	45	0.0	-56.84	345.40	6.33	-50.51
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144235	1	45	0.0	-56.85	345.46	6.35	-50.50
C[NH+](C)CCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020144240	0	55	0.0	-73.02	426.15	7.74	-65.28
C[NH+](C)CCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020144240	1	55	0.0	-73.03	426.09	7.72	-65.31
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144290	0	52	0.0	-68.94	394.05	8.49	-60.45
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144290	1	52	0.0	-71.16	391.28	8.19	-62.97
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144290	1	52	0.0	-68.93	394.10	8.52	-60.41
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144290	1	52	0.0	-71.16	391.33	8.22	-62.94
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144306	0	52	0.0	-46.42	391.86	8.16	-38.26
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144306	1	52	0.0	-46.45	391.92	8.18	-38.27
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CN21	REAL300020144325	1	44	0.0	-64.07	339.37	5.77	-58.30
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CN21	REAL300020144325	1	44	0.0	-64.11	339.42	5.80	-58.31
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144333	0	55	0.0	-77.92	413.42	9.12	-68.80
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144333	1	55	0.0	-68.39	404.39	8.98	-59.41
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144333	1	55	0.0	-77.94	413.48	9.15	-68.79
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144333	1	55	0.0	-68.40	404.44	9.01	-59.39
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)CC1	REAL300020144336	0	60	0.0	-72.19	420.91	5.75	-66.44
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)CC1	REAL300020144336	1	60	0.0	-72.19	420.97	5.78	-66.41
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020144376	0	44	0.0	-52.70	344.57	4.90	-47.80
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144583	0	48	0.0	-79.02	371.34	7.20	-71.82
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144583	1	48	0.0	-79.01	371.40	7.22	-71.79
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144626	1	45	0.0	-72.98	351.84	5.62	-67.36
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300020144694	1	50	0.0	-80.19	383.39	6.75	-73.44
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300020144694	1	50	0.0	-80.60	383.40	6.75	-73.85
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144770	0	50	0.0	-76.68	369.84	6.69	-69.99
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144770	1	50	0.0	-76.73	369.90	6.72	-70.01
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144777	0	49	0.0	-68.34	372.49	7.53	-60.81
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144777	1	49	0.0	-68.38	371.78	7.47	-60.91
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144777	1	49	0.0	-68.34	372.54	7.56	-60.78
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144777	1	49	0.0	-68.42	371.83	7.50	-60.92
CC(C)[NH+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144799	0	48	0.0	-70.42	348.65	5.91	-64.51
CC(C)[NH+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144799	1	48	0.0	-70.37	348.70	5.93	-64.44
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144891	0	49	0.0	-70.20	362.08	6.44	-63.76
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144891	1	49	0.0	-70.25	362.13	6.47	-63.78
C[N@@H+]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020144901	0	49	0.0	-78.87	372.71	7.34	-71.53
C[N@H+]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020144901	1	49	0.0	-73.04	368.05	7.18	-65.86
C[N@@H+]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020144901	1	49	0.0	-78.88	372.77	7.37	-71.51
C[N@H+]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020144901	1	49	0.0	-73.05	368.10	7.20	-65.85
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144903	0	53	0.0	-68.44	385.63	4.36	-64.08
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144903	1	53	0.0	-68.48	385.68	4.38	-64.10
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144906	0	56	0.0	-66.59	407.09	5.15	-61.44
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144906	1	56	0.0	-66.55	407.15	5.18	-61.37
C[NH+](C)CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020144931	0	45	0.0	-81.07	351.73	4.33	-76.74
C[NH+](C)CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020144931	1	45	0.0	-81.08	351.67	4.30	-76.78
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144948	0	52	0.0	-68.95	390.45	8.20	-60.75
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144948	1	52	0.0	-68.97	390.50	8.23	-60.74
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020145060	0	45	0.0	-82.41	351.93	4.98	-77.43
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020145060	1	45	0.0	-82.44	351.87	4.96	-77.48
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145061	0	45	0.0	-57.67	347.00	4.39	-53.28
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145061	1	45	0.0	-57.72	346.94	4.36	-53.36
C[N@@H+]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300020145132	0	49	0.0	-68.17	345.67	6.49	-61.68
C[N@H+]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300020145132	1	49	0.0	-72.75	363.63	7.22	-65.53
C[N@@H+]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300020145132	1	49	0.0	-68.16	345.72	6.52	-61.64
C[N@H+]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300020145132	1	49	0.0	-72.74	363.68	7.25	-65.49
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145133	0	45	0.0	-66.25	344.48	3.61	-62.64
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145133	1	45	0.0	-66.24	344.43	3.59	-62.65
C[NH+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020145199	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	REAL300020145231	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	REAL300020145231	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	REAL300020145275	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	REAL300020145275	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	REAL300020145284	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	REAL300020145284	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	REAL300020145357	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	REAL300020145357	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	REAL300020145420	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	REAL300020145420	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	REAL300020145420	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	REAL300020145420	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	REAL300020145421	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	REAL300020145421	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	REAL300020145421	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	REAL300020145421	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	REAL300020145437	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	REAL300020145437	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	REAL300020145492	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	REAL300020145494	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	REAL300020145498	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	REAL300020145498	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	REAL300020145506	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	REAL300020145506	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	REAL300020145514	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	REAL300020145514	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	REAL300020145515	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	REAL300020145515	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	REAL300020145515	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	REAL300020145515	1	52	0.0	-70.55	398.48	3.84	-66.71
O=C(C[NH+]1CCC(CO)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146529	0	46	0.0	-68.72	343.70	2.33	-66.39
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146534	0	45	0.0	-69.49	319.47	1.76	-67.73
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146534	1	45	0.0	-71.77	319.51	1.73	-70.04
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146534	1	45	0.0	-69.48	319.53	1.78	-67.70
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146534	1	45	0.0	-71.79	319.56	1.76	-70.03
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146560	0	55	0.0	-72.77	424.34	7.95	-64.82
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146560	1	55	0.0	-72.81	424.40	7.97	-64.84
CC(C)C[NH+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020146568	0	51	0.0	-72.53	371.03	6.81	-65.72
CC(C)C[NH+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020146568	1	51	0.0	-72.50	371.09	6.84	-65.66
CC1CC2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[N@@H+]2C1	REAL300020146599	0	49	0.0	-65.54	357.50	6.39	-59.15
CC1CC2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[N@H+]2C1	REAL300020146599	1	49	0.0	-69.43	357.19	6.40	-63.03
CC1CC2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[N@@H+]2C1	REAL300020146599	1	49	0.0	-65.56	357.56	6.41	-59.15
CC1CC2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[N@H+]2C1	REAL300020146599	1	49	0.0	-69.40	357.25	6.43	-62.97
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146602	0	49	0.0	-74.20	341.99	5.72	-68.48
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146602	1	49	0.0	-46.55	343.32	6.46	-40.09
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146602	1	49	0.0	-74.20	342.05	5.75	-68.45
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146602	1	49	0.0	-46.51	343.37	6.48	-40.03
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146669	0	52	0.0	-75.46	392.22	8.00	-67.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146669	1	52	0.0	-75.02	391.07	8.01	-67.01
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146669	1	52	0.0	-75.44	392.27	8.03	-67.41
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146669	1	52	0.0	-75.04	391.12	8.03	-67.01
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146693	0	53	0.0	-63.04	411.65	7.62	-55.42
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146693	1	53	0.0	-63.04	411.71	7.65	-55.39
C[NH+]1CCC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020146742	0	46	0.0	-75.37	350.22	5.31	-70.06
C[NH+]1CCC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020146742	1	46	0.0	-75.35	350.28	5.34	-70.01
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146753	1	49	0.0	-50.76	372.57	6.79	-43.97
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300020146833	0	51	0.0	-69.95	382.26	6.27	-63.68
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300020146833	1	51	0.0	-65.48	379.40	6.12	-59.36
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300020146833	1	51	0.0	-69.97	382.32	6.29	-63.68
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300020146833	1	51	0.0	-65.45	379.46	6.14	-59.31
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147106	0	49	0.0	-68.34	372.49	7.53	-60.81
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147106	1	49	0.0	-68.38	371.78	7.47	-60.91
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147106	1	49	0.0	-68.34	372.54	7.56	-60.78
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147106	1	49	0.0	-68.42	371.83	7.50	-60.92
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020147356	0	53	0.0	-73.30	393.60	8.32	-64.98
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020147356	1	53	0.0	-77.57	396.48	8.34	-69.23
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020147356	1	53	0.0	-73.30	393.65	8.34	-64.96
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020147356	1	53	0.0	-77.64	396.54	8.36	-69.28
O=C(C1CC[N@@H+]2CCOCC12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147362	0	44	0.0	-72.30	325.73	3.29	-69.01
O=C(C1CC[N@H+]2CCOCC12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147362	1	44	0.0	-62.75	318.79	3.24	-59.51
O=C(C1CC[N@@H+]2CCOCC12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147362	1	44	0.0	-72.30	325.79	3.31	-68.99
O=C(C1CC[N@H+]2CCOCC12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147362	1	44	0.0	-62.68	318.85	3.27	-59.41
O=C(C1CCCC[N@H+]1CC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147437	1	52	0.0	-62.84	382.72	7.82	-55.02
O=C(C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147437	1	52	0.0	-62.77	382.69	7.84	-54.93
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147514	0	51	0.0	-80.70	345.22	5.17	-75.53
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147514	1	51	0.0	-71.21	350.75	5.72	-65.49
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147514	1	51	0.0	-80.65	345.28	5.20	-75.45
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147514	1	51	0.0	-71.20	350.81	5.74	-65.46
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300020147919	0	44	0.0	-64.67	323.52	6.45	-58.22
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300020147919	1	44	0.0	-64.56	325.28	5.93	-58.63
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147939	0	43	0.0	-83.66	337.80	2.59	-81.07
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147939	1	43	0.0	-83.70	337.86	2.62	-81.08
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN21	REAL300020147947	0	40	0.0	-64.94	326.26	6.28	-58.66
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147961	0	46	0.0	-71.82	338.38	3.67	-68.15
CC[N@H+]1CCOCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147961	1	46	0.0	-71.84	338.37	3.64	-68.20
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147961	1	46	0.0	-71.83	338.44	3.69	-68.14
CC[N@H+]1CCOCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147961	1	46	0.0	-71.83	338.42	3.67	-68.16
C[NH+](C)CC(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020149563	0	44	0.0	-61.01	361.32	6.93	-54.08
C[NH+](C)CC(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020149563	1	44	0.0	-61.03	361.38	6.95	-54.08
COCC[NH+](CCOC)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149567	0	52	0.0	-59.72	381.58	3.57	-56.15
COCC[NH+](CCOC)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149567	1	52	0.0	-59.73	381.64	3.58	-56.15
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020149572	1	51	0.0	-64.64	393.35	4.44	-60.20
C[N@@H+]1CCN(C(=O)CCC2=N[N-]N=N2)CC1CC1=CC=CC=C1	REAL300020149575	1	45	0.0	-67.38	349.29	6.72	-60.66
C[N@H+]1CCN(C(=O)CCC2=N[N-]N=N2)CC1CC1=CC=CC=C1	REAL300020149575	1	45	0.0	-67.50	349.24	6.73	-60.77
C[N@@H+]1CCN(C(=O)CCC2=NN=N[N-]2)CC1CC1=CC=CC=C1	REAL300020149575	1	45	0.0	-67.40	349.34	6.73	-60.67
C[N@H+]1CCN(C(=O)CCC2=NN=N[N-]2)CC1CC1=CC=CC=C1	REAL300020149575	1	45	0.0	-67.45	349.30	6.74	-60.71
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)CCC1=NN=N[N-]1)C2	REAL300020149582	0	49	0.0	-66.75	367.79	3.10	-63.65
CC[NH+](CC)CCOC(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149585	0	50	0.0	-68.92	396.64	6.64	-62.28
CC[NH+](CC)CCOC(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149585	1	50	0.0	-68.96	396.70	6.66	-62.30
CC1=CC=C(C[N@H+]2CCC(CN(C)C(=O)CCC3=N[N-]N=N3)C2)S1	REAL300020149586	0	48	0.0	-60.76	385.26	7.67	-53.09
CC1=CC=C(C[N@@H+]2CCC(CN(C)C(=O)CCC3=N[N-]N=N3)C2)S1	REAL300020149586	1	48	0.0	-60.40	385.45	7.68	-52.72
CC1=CC=C(C[N@H+]2CCC(CN(C)C(=O)CCC3=NN=N[N-]3)C2)S1	REAL300020149586	1	48	0.0	-60.73	385.31	7.69	-53.04
CC1=CC=C(C[N@@H+]2CCC(CN(C)C(=O)CCC3=NN=N[N-]3)C2)S1	REAL300020149586	1	48	0.0	-60.46	385.50	7.69	-52.77
CN1CCC([NH+]2CCC(NC(=O)CCC3=NN=N[N-]3)CC2)C1=O	REAL300020149589	1	46	0.0	-69.50	356.10	2.72	-66.78
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)CCC1=NN=N[N-]1	REAL300020149615	0	44	0.0	-63.20	354.08	5.72	-57.48
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)CCC1=NN=N[N-]1	REAL300020149615	1	44	0.0	-63.74	352.99	5.63	-58.11
O=C(CCC1=NN=N[N-]1)NCC([NH2+]CC1=CC=CC=C1)C1=CC=CO1	REAL300020149625	1	45	0.0	-64.47	376.52	4.81	-59.66
CCC[N@H+](C)C(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020149638	0	47	0.0	-63.34	374.48	6.94	-56.40
CCC[N@@H+](C)C(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020149638	1	47	0.0	-63.11	374.22	7.06	-56.05
CCC[N@H+](C)C(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020149638	1	47	0.0	-63.33	374.53	6.96	-56.37
CCC[N@@H+](C)C(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020149638	1	47	0.0	-63.12	374.28	7.07	-56.05
C[NH+]1CCC(OC2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020149651	0	49	0.0	-67.70	387.33	5.30	-62.40
C[NH+]1CCC(OC2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020149651	1	49	0.0	-67.67	387.39	5.32	-62.35
O=C(CCC1=N[N-]N=N1)N1CCN(C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300020149653	0	54	0.0	-66.18	408.99	6.40	-59.78
O=C(CCC1=N[N-]N=N1)N1CCN(C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300020149653	1	54	0.0	-66.51	405.74	6.14	-60.37
O=C(CCC1=NN=N[N-]1)N1CCN(C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300020149653	1	54	0.0	-66.19	409.05	6.41	-59.78
O=C(CCC1=NN=N[N-]1)N1CCN(C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300020149653	1	54	0.0	-66.53	405.80	6.16	-60.37
CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)CCC1=N[N-]N=N1	REAL300020149666	0	53	0.0	-64.38	408.87	6.12	-58.26
CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)CCC1=NN=N[N-]1	REAL300020149666	1	53	0.0	-64.37	408.93	6.14	-58.23
COC1=CC=C(C(C[NH+](C)C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020149681	0	45	0.0	-56.24	356.71	4.45	-51.79
COC1=CC=C(C(C[NH+](C)C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020149681	1	45	0.0	-56.22	356.77	4.47	-51.75
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020149684	0	42	0.0	-66.20	341.28	6.11	-60.09
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020149684	1	42	0.0	-66.53	341.09	6.12	-60.41
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020149684	1	42	0.0	-66.28	341.34	6.13	-60.15
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020149684	1	42	0.0	-66.57	341.15	6.14	-60.43
O=C(CCC1=N[N-]N=N1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300020149685	0	49	0.0	-68.09	380.49	7.62	-60.47
O=C(CCC1=N[N-]N=N1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300020149685	1	49	0.0	-68.20	379.89	7.60	-60.60
O=C(CCC1=NN=N[N-]1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300020149685	1	49	0.0	-68.09	380.55	7.64	-60.45
O=C(CCC1=NN=N[N-]1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300020149685	1	49	0.0	-68.24	379.95	7.62	-60.62
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020149693	0	42	0.0	-66.20	341.28	6.11	-60.09
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020149693	1	42	0.0	-66.53	341.09	6.12	-60.41
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020149693	1	42	0.0	-66.28	341.34	6.13	-60.15
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020149693	1	42	0.0	-66.57	341.15	6.14	-60.43
C[N@@H+]1CCC(OC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C1	REAL300020149704	0	46	0.0	-65.92	350.53	4.45	-61.47
C[N@H+]1CCC(OC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C1	REAL300020149704	1	46	0.0	-64.11	350.03	4.46	-59.65
C[N@@H+]1CCC(OC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C1	REAL300020149704	1	46	0.0	-65.91	350.59	4.46	-61.45
C[N@H+]1CCC(OC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C1	REAL300020149704	1	46	0.0	-64.11	350.09	4.48	-59.63
O=C(CCC1=N[N-]N=N1)N1CCCC([NH+]2CCOCC2)CC1	REAL300020149710	0	46	0.0	-62.23	333.74	4.11	-58.12
O=C(CCC1=NN=N[N-]1)N1CCCC([NH+]2CCOCC2)CC1	REAL300020149710	1	46	0.0	-62.25	333.80	4.12	-58.13
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300020149720	0	44	0.0	-58.08	351.88	5.19	-52.89
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300020149720	1	44	0.0	-58.10	351.82	5.18	-52.92
C[NH+]1CCC(N(CC(O)CC(C)(C)C)C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149723	0	57	0.0	-60.48	414.39	5.50	-54.98
C[NH+]1CCC(N(CC(O)CC(C)(C)C)C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149723	1	57	0.0	-60.50	414.45	5.51	-54.99
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CCCC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)[NH+](C)C	REAL300020153991	0	44	0.0	-59.60	339.45	5.73	-53.87
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CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154044	0	47	0.0	-59.98	354.86	4.54	-55.44
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CC(C)[N@@H+]1CCOC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020155087	1	46	0.0	-59.43	353.31	5.33	-54.10
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CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020155104	1	51	0.0	-67.86	402.91	8.80	-59.06
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C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155127	1	45	0.0	-47.90	359.60	7.66	-40.24
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CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CN21	REAL300020155212	1	44	0.0	-56.52	356.23	6.69	-49.83
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CCN1CCC([NH+]2CCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CC2)CC1	REAL300020155222	0	60	0.0	-65.28	439.41	6.66	-58.62
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2)CC1	REAL300020155222	1	60	0.0	-65.26	439.47	6.68	-58.58
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CC(C)[NH+]1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020155710	0	48	0.0	-62.77	368.06	6.81	-55.96
CC(C)[NH+]1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020155710	1	48	0.0	-62.77	368.01	6.78	-55.99
C[N@H+](CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC1	REAL300020155756	0	42	0.0	-59.21	334.90	5.95	-53.26
C[N@@H+](CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC1	REAL300020155756	1	42	0.0	-59.13	334.77	5.99	-53.14
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C[N@@H+]1C[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)[C@@H](C2=CC=CC=C2)C1	REAL300020155827	0	49	0.0	-79.83	392.90	8.25	-71.58
C[N@H+]1C[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)[C@@H](C2=CC=CC=C2)C1	REAL300020155827	1	49	0.0	-75.10	391.58	8.32	-66.78
C[N@@H+]1C[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)[C@@H](C2=CC=CC=C2)C1	REAL300020155827	1	49	0.0	-79.80	392.85	8.23	-71.57
C[N@H+]1C[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)[C@@H](C2=CC=CC=C2)C1	REAL300020155827	1	49	0.0	-75.09	391.52	8.30	-66.79
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020155829	0	53	0.0	-62.18	404.10	5.12	-57.06
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020155829	1	53	0.0	-62.14	404.15	5.15	-56.99
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020155832	0	56	0.0	-61.55	425.61	5.93	-55.62
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020155832	1	56	0.0	-61.57	425.67	5.95	-55.62
C[NH+](C)CCN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020155857	0	45	0.0	-70.96	373.13	5.48	-65.48
C[NH+](C)CCN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020155857	1	45	0.0	-70.95	373.07	5.45	-65.50
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C[NH+](C)CCN1C=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020155994	0	45	0.0	-85.60	373.49	5.49	-80.11
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020155994	1	45	0.0	-85.64	373.44	5.47	-80.17
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155995	0	45	0.0	-59.50	367.72	5.46	-54.04
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155995	1	45	0.0	-59.47	367.66	5.44	-54.03
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL300020156004	0	45	0.0	-68.69	345.55	5.67	-63.02
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL300020156004	1	45	0.0	-67.70	350.92	5.93	-61.77
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC[N@@H+]1C	REAL300020156004	1	45	0.0	-68.68	345.49	5.64	-63.04
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC[N@H+]1C	REAL300020156004	1	45	0.0	-67.70	350.86	5.91	-61.79
C[C@@H]1[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL300020156014	0	42	0.0	-71.61	324.39	4.99	-66.62
C[C@@H]1[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL300020156014	1	42	0.0	-67.88	330.83	5.43	-62.45
C[C@@H]1[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC[N@@H+]1C	REAL300020156014	1	42	0.0	-71.57	324.33	4.97	-66.60
C[C@@H]1[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC[N@H+]1C	REAL300020156014	1	42	0.0	-67.91	330.78	5.40	-62.51
C[N@@H+]1CC[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)[C@@H]1C1=CC=CC=C1	REAL300020156073	0	49	0.0	-65.59	369.02	7.73	-57.86
C[N@H+]1CC[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)[C@@H]1C1=CC=CC=C1	REAL300020156073	1	49	0.0	-71.70	387.20	8.23	-63.47
C[N@@H+]1CC[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)[C@@H]1C1=CC=CC=C1	REAL300020156073	1	49	0.0	-65.56	368.96	7.71	-57.85
C[N@H+]1CC[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)[C@@H]1C1=CC=CC=C1	REAL300020156073	1	49	0.0	-71.71	387.14	8.20	-63.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020156074	0	45	0.0	-59.57	364.54	4.49	-55.08
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020156074	1	45	0.0	-59.57	364.49	4.47	-55.10
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156119	1	45	0.0	-60.02	350.26	5.73	-54.29
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156119	1	45	0.0	-64.26	329.26	5.35	-58.91
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020156134	1	46	0.0	-69.81	374.59	5.05	-64.76
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020156134	1	46	0.0	-68.29	370.36	4.56	-63.73
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CC[N@H+](C1)CCC2	REAL300020156164	0	43	0.0	-64.13	330.75	5.19	-58.94
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CC[N@@H+](C1)CCC2	REAL300020156164	1	43	0.0	-68.24	329.88	5.19	-63.05
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C12CC[N@H+](C1)CCC2	REAL300020156164	1	43	0.0	-64.13	330.69	5.17	-58.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C12CC[N@@H+](C1)CCC2	REAL300020156164	1	43	0.0	-68.25	329.82	5.17	-63.08
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156210	1	46	0.0	-60.08	374.49	7.20	-52.88
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC[N@@H+]1C1CCCC1	REAL300020156292	1	46	0.0	-62.85	361.34	6.95	-55.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC[N@H+]1C1CCCC1	REAL300020156292	1	46	0.0	-67.01	359.43	6.75	-60.26
C[NH+](C)CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020156358	0	42	0.0	-55.98	339.36	5.72	-50.26
C[NH+](C)CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020156358	1	42	0.0	-55.94	339.30	5.69	-50.25
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020156359	0	52	0.0	-79.72	405.51	6.33	-73.39
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020156359	1	52	0.0	-78.96	413.10	6.77	-72.19
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020156359	1	52	0.0	-79.69	405.45	6.31	-73.38
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020156359	1	52	0.0	-78.94	413.05	6.75	-72.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300020156379	0	46	0.0	-75.42	377.19	6.12	-69.30
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156431	1	43	0.0	-56.69	354.46	6.71	-49.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1C[NH+](C2CCOC2)C1	REAL300020156432	1	44	0.0	-66.18	355.40	4.35	-61.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CCC[NH+](CCC1)C2	REAL300020156436	0	46	0.0	-63.50	346.28	6.16	-57.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C12CCC[NH+](CCC1)C2	REAL300020156436	1	46	0.0	-63.49	346.23	6.13	-57.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1C[NH+](C2CCOCC2)C1	REAL300020156445	0	47	0.0	-66.03	372.02	4.92	-61.11
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156452	1	48	0.0	-65.88	387.96	8.41	-57.47
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156452	1	48	0.0	-65.70	387.96	8.40	-57.30
COCCOCC[N@H+](C)CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156453	0	52	0.0	-66.91	416.67	4.56	-62.35
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156453	1	52	0.0	-64.98	416.95	4.58	-60.40
COCCOCC[N@H+](C)CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156453	1	52	0.0	-66.86	416.73	4.59	-62.27
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156453	1	52	0.0	-65.02	417.01	4.60	-60.42
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2CCCC[N@@H+]21	REAL300020156474	0	46	0.0	-61.57	350.34	6.47	-55.10
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2CCCC[N@H+]21	REAL300020156474	1	46	0.0	-56.88	349.51	6.46	-50.42
C[NH+](C)C1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCC1	REAL300020157536	0	45	0.0	-61.96	339.05	6.02	-55.94
CC1CC2CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C[N@@H+]2C1	REAL300020157542	0	49	0.0	-54.85	370.64	7.51	-47.34
CC1CC2CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C[N@H+]2C1	REAL300020157542	1	49	0.0	-64.04	376.51	7.30	-56.74
CC1CC2CCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C[N@@H+]2C1	REAL300020157542	1	49	0.0	-54.81	370.59	7.49	-47.32
CC1CC2CCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C[N@H+]2C1	REAL300020157542	1	49	0.0	-63.96	376.45	7.27	-56.69
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300020157547	0	49	0.0	-64.35	358.97	6.73	-57.62
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300020157547	1	49	0.0	-56.44	363.78	7.43	-49.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300020157547	1	49	0.0	-64.37	358.91	6.71	-57.66
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300020157547	1	49	0.0	-56.41	363.73	7.41	-49.00
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157604	0	52	0.0	-68.56	413.50	9.00	-59.56
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157604	1	52	0.0	-69.53	410.44	8.99	-60.54
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157604	1	52	0.0	-68.56	413.56	9.03	-59.53
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157604	1	52	0.0	-69.52	410.49	9.02	-60.50
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157613	0	45	0.0	-62.95	341.17	6.08	-56.87
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157613	1	45	0.0	-57.31	340.73	5.98	-51.33
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020157627	0	53	0.0	-80.80	431.16	8.42	-72.38
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020157627	1	53	0.0	-80.78	431.21	8.45	-72.33
CC(C)(C)[NH2+]CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157631	0	44	0.0	-65.61	349.31	4.27	-61.34
CC(C)(C)[NH2+]CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157631	1	44	0.0	-65.63	349.25	4.25	-61.38
C[NH+]1CCC(OCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020157679	0	46	0.0	-68.31	368.70	5.96	-62.35
C[NH+]1CCC(OCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020157679	1	46	0.0	-68.35	368.76	5.99	-62.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300020157688	1	49	0.0	-77.71	393.88	7.56	-70.15
C[NH+](C)CC(O)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157743	0	42	0.0	-67.71	341.51	2.90	-64.81
C[NH+](C)CC(O)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157743	1	42	0.0	-67.70	341.45	2.88	-64.82
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)[C@@H](C(F)(F)F)C1	REAL300020157773	0	51	0.0	-64.01	402.40	7.14	-56.87
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)[C@@H](C(F)(F)F)C1	REAL300020157773	1	51	0.0	-65.88	401.48	7.23	-58.65
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)[C@@H](C(F)(F)F)C1	REAL300020157773	1	51	0.0	-64.00	402.46	7.17	-56.83
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)[C@@H](C(F)(F)F)C1	REAL300020157773	1	51	0.0	-65.86	401.53	7.26	-58.60
C=CCC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)[NH+](C)C	REAL300020158003	0	42	0.0	-59.15	331.34	5.49	-53.66
C[N@@H+]1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020158027	0	42	0.0	-58.07	327.08	5.82	-52.25
C[N@H+]1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020158027	1	42	0.0	-62.89	332.91	5.59	-57.30
C[N@@H+]1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020158027	1	42	0.0	-58.05	327.02	5.79	-52.26
C[N@H+]1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020158027	1	42	0.0	-62.88	332.85	5.56	-57.32
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020158037	0	49	0.0	-64.34	393.85	8.44	-55.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020158037	1	49	0.0	-65.77	393.77	8.44	-57.33
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020158037	1	49	0.0	-64.38	393.91	8.47	-55.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020158037	1	49	0.0	-65.75	393.83	8.47	-57.28
C[N@H+]1CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020158100	0	43	0.0	-62.59	347.68	6.31	-56.28
C[N@@H+]1CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020158100	1	43	0.0	-60.82	347.68	6.30	-54.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020158277	0	53	0.0	-77.73	417.15	9.41	-68.32
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020158277	1	53	0.0	-70.57	418.66	9.46	-61.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020158277	1	53	0.0	-77.74	417.21	9.43	-68.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020158277	1	53	0.0	-70.59	418.72	9.48	-61.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC[N@@H+]2CCOCC12	REAL300020158288	0	44	0.0	-61.60	343.71	4.25	-57.35
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC[N@H+]2CCOCC12	REAL300020158288	1	44	0.0	-62.61	343.71	4.31	-58.30
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020158449	0	51	0.0	-70.85	378.84	7.08	-63.77
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020158449	1	51	0.0	-66.62	378.57	7.11	-59.51
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020158449	1	51	0.0	-70.88	378.78	7.05	-63.83
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020158449	1	51	0.0	-66.63	378.51	7.08	-59.55
C[N@H+](CC1=CC=C2N=C(NC(=O)CCC3=NN=N[N-]3)SC2=C1)C1CC1	REAL300020160532	0	44	0.0	-71.22	373.08	6.89	-64.33
C[N@@H+](CC1=CC=C2N=C(NC(=O)CCC3=NN=N[N-]3)SC2=C1)C1CC1	REAL300020160532	1	44	0.0	-71.70	373.21	6.90	-64.80
C[N@H+](CC1=CC=C2N=C(NC(=O)CCC3=N[N-]N=N3)SC2=C1)C1CC1	REAL300020160532	1	44	0.0	-71.21	373.02	6.87	-64.34
C[N@@H+](CC1=CC=C2N=C(NC(=O)CCC3=N[N-]N=N3)SC2=C1)C1CC1	REAL300020160532	1	44	0.0	-71.73	373.15	6.89	-64.84
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CSCC[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=N[N-]N=N1	REAL300020163428	1	45	0.0	-70.34	386.96	5.14	-65.20
CSCC[C@H](NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020163492	0	50	0.0	-59.15	410.76	3.94	-55.21
CSCC[C@H](NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020163492	1	50	0.0	-58.12	411.50	3.98	-54.14
CSCC[C@H](NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020163492	1	50	0.0	-59.17	410.70	3.93	-55.24
CSCC[C@H](NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020163492	1	50	0.0	-58.12	411.44	3.97	-54.15
CSCC[C@H](NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163546	1	48	0.0	-58.72	392.77	6.49	-52.23
CSCC[C@H](NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163546	1	48	0.0	-54.25	392.74	6.49	-47.76
CSCC[C@H](NC(=O)C[NH+]1C(C)CCC1C)C1=NN=N[N-]1	REAL300020163573	0	45	0.0	-52.97	355.72	4.57	-48.40
CSCC[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300020163586	1	53	0.0	-71.29	425.34	7.00	-64.29
CSCC[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300020163586	1	53	0.0	-68.45	432.12	7.04	-61.41
CSCC[C@H](NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300020163614	0	45	0.0	-65.93	375.88	5.98	-59.95
CSCC[C@H](NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300020163614	1	45	0.0	-65.95	375.94	6.00	-59.95
CC[NH+]1CCN(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020163615	0	50	0.0	-63.89	395.84	3.12	-60.77
CC[NH+]1CCN(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020163615	1	50	0.0	-63.85	395.89	3.14	-60.71
CSCC[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163618	1	52	0.0	-49.69	416.44	7.67	-42.02
CSCC[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163618	1	52	0.0	-56.39	416.40	7.66	-48.73
CSCC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020163642	0	54	0.0	-63.84	430.08	5.81	-58.03
CSCC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020163642	1	54	0.0	-63.87	430.03	5.80	-58.07
CC[NH+](CC)CCSCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163643	0	48	0.0	-66.30	395.87	5.52	-60.78
CC[NH+](CC)CCSCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163643	1	48	0.0	-66.32	395.93	5.53	-60.79
CSCC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL300020163644	0	53	0.0	-63.52	428.35	5.27	-58.25
CSCC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL300020163644	1	53	0.0	-63.55	428.29	5.25	-58.30
CSCC[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=N[N-]N=N1	REAL300020163645	0	54	0.0	-66.31	433.62	5.22	-61.09
CSCC[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=NN=N[N-]1	REAL300020163645	1	54	0.0	-66.34	433.68	5.24	-61.10
CSCC[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=NN=N[N-]1	REAL300020163655	0	53	0.0	-63.01	395.18	4.41	-58.60
CSCC[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=N[N-]N=N1	REAL300020163655	1	53	0.0	-62.97	395.12	4.39	-58.58
CSCC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300020163657	1	50	0.0	-70.14	404.75	6.38	-63.76
CSCC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300020163657	1	50	0.0	-53.73	404.83	6.37	-47.36
CSCC[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=N[N-]N=N1	REAL300020163665	0	54	0.0	-69.76	434.49	5.41	-64.35
CSCC[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=NN=N[N-]1	REAL300020163665	1	54	0.0	-69.79	434.55	5.43	-64.36
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)[NH+](CC)CC	REAL300020163667	0	47	0.0	-51.65	360.32	4.52	-47.13
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)[NH+](CC)CC	REAL300020163667	1	47	0.0	-51.65	360.38	4.53	-47.12
CSCC[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020163814	0	52	0.0	-65.76	420.81	7.64	-58.12
CSCC[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020163814	1	52	0.0	-66.20	422.13	7.70	-58.50
CSCC[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020163814	1	52	0.0	-65.75	420.86	7.66	-58.09
CSCC[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020163814	1	52	0.0	-66.18	422.18	7.72	-58.46
CSCC[C@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300020163836	0	52	0.0	-56.30	403.32	6.44	-49.86
CSCC[C@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300020163836	1	52	0.0	-61.20	403.09	6.37	-54.83
CSCC[C@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300020163836	1	52	0.0	-56.30	403.27	6.42	-49.88
CSCC[C@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300020163836	1	52	0.0	-61.14	403.03	6.35	-54.79
CSCC[C@H](NC(=O)C1=C(C[NH+](C)C)C=CS1)C1=N[N-]N=N1	REAL300020164017	0	42	0.0	-50.51	362.78	5.14	-45.37
CSCC[C@H](NC(=O)C1=C(C[NH+](C)C)C=CS1)C1=NN=N[N-]1	REAL300020164017	1	42	0.0	-50.51	362.84	5.15	-45.36
CSCC[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1=NN=N[N-]1	REAL300020164046	0	45	0.0	-55.91	360.75	5.01	-50.90
CSCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1=NN=N[N-]1	REAL300020164101	0	44	0.0	-59.31	346.75	4.64	-54.67
CSCC[C@H](NC(=O)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020164119	0	53	0.0	-56.97	426.04	4.85	-52.12
CSCC[C@H](NC(=O)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020164119	1	53	0.0	-62.04	422.42	4.47	-57.57
CSCC[C@H](NC(=O)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020164119	1	53	0.0	-56.96	425.98	4.84	-52.12
CSCC[C@H](NC(=O)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020164119	1	53	0.0	-62.02	422.37	4.46	-57.56
CSCC[C@H](NC(=O)C(C)C[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300020164265	0	46	0.0	-60.48	369.10	3.24	-57.24
CSCC[C@H](NC(=O)C(C)C[NH+]1CCOCC1)C1=N[N-]N=N1	REAL300020164265	1	46	0.0	-60.47	369.04	3.22	-57.25
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C1=NN=N[N-]1	REAL300020164296	1	53	0.0	-50.14	425.88	4.48	-45.66
CSCC[C@H](NC(=O)C[N@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL300020164304	0	43	0.0	-59.87	357.06	4.77	-55.10
CSCC[C@H](NC(=O)C[N@@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL300020164304	1	43	0.0	-57.80	357.28	4.75	-53.05
CSCC[C@H](NC(=O)C1CCC[N@@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300020164370	0	49	0.0	-58.35	370.24	5.67	-52.68
CSCC[C@H](NC(=O)C1CCC[N@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300020164370	1	49	0.0	-56.29	383.70	5.89	-50.40
CCCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)[NH+](C)C	REAL300020164424	0	44	0.0	-56.80	349.70	4.29	-52.51
CSCC[C@H](NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=NN=N[N-]1	REAL300020164441	1	37	0.0	-68.65	328.22	6.04	-62.61
CSCC[C@H](NC(=O)C1(C)CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300020164474	0	45	0.0	-52.16	354.98	4.57	-47.59
CSCC[C@H](NC(=O)C1(C)CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300020164474	1	45	0.0	-52.15	355.04	4.59	-47.56
CCC(C)(C)[NH2+]C(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164479	0	47	0.0	-54.77	361.79	2.99	-51.78
CCC(C)(C)[NH2+]C(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164479	1	47	0.0	-54.71	361.85	3.00	-51.71
CSCC[C@H](NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020164505	0	55	0.0	-62.48	431.47	8.14	-54.34
CSCC[C@H](NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020164505	1	55	0.0	-62.48	431.53	8.16	-54.32
CSCC[C@H](NC(=O)C1=C(C)N2C=[NH+]C=C2C=C1)C1=NN=N[N-]1	REAL300020164521	1	40	0.0	-62.31	341.87	6.39	-55.92
CSCC[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1=N[N-]N=N1	REAL300020164788	0	51	0.0	-49.41	378.53	6.20	-43.21
CSCC[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1=NN=N[N-]1	REAL300020164788	1	51	0.0	-49.43	378.59	6.21	-43.22
CSCC[C@H](NC(=O)C1=CC=CC(CNC2=CC=[NH+]C(C)=N2)=C1)C1=NN=N[N-]1	REAL300020164795	1	50	0.0	-67.15	428.75	6.02	-61.13
CSCC[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300020164799	0	51	0.0	-60.49	396.14	6.10	-54.39
CSCC[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300020164799	1	51	0.0	-61.26	396.15	6.10	-55.16
CSCC[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300020164799	1	51	0.0	-60.51	396.20	6.11	-54.40
CSCC[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300020164799	1	51	0.0	-61.24	396.20	6.11	-55.13
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=N[N-]N=N1	REAL300020164964	0	48	0.0	-68.05	387.95	6.51	-61.54
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=NN=N[N-]1	REAL300020164964	1	48	0.0	-68.08	388.01	6.53	-61.55
CSCC[C@H](NC(=O)C1CCCC[N@@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300020164975	0	52	0.0	-53.94	390.45	6.46	-47.48
CSCC[C@H](NC(=O)C1CCCC[N@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300020164975	1	52	0.0	-52.19	395.31	6.34	-45.85
CSCC[C@H](NC(=O)CCCC[NH+]1CCOCC1)C1=N[N-]N=N1	REAL300020165075	1	49	0.0	-67.22	396.00	4.10	-63.12
CSCC[C@H](NC(=O)CCCC[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300020165075	1	49	0.0	-67.25	396.06	4.11	-63.14
CSCC[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)C1=N[N-]N=N1	REAL300020165307	0	46	0.0	-61.20	367.15	5.36	-55.84
CSCC[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)C1=NN=N[N-]1	REAL300020165307	1	46	0.0	-61.23	367.21	5.38	-55.85
CSCC[C@H](NC(=O)C12CCC[NH+]1CCC2)C1=NN=N[N-]1	REAL300020165319	0	43	0.0	-55.50	342.37	4.50	-51.00
CSCC[C@H](NC(=O)C1CCC[N@@H+]1C1CC1)C1=NN=N[N-]1	REAL300020165443	0	43	0.0	-51.66	355.25	5.04	-46.62
CSCC[C@H](NC(=O)C1CCC[N@H+]1C1CC1)C1=NN=N[N-]1	REAL300020165443	1	43	0.0	-52.07	344.38	4.07	-48.00
CSCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300020165486	0	52	0.0	-72.40	417.43	7.84	-64.56
CSCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300020165486	1	52	0.0	-72.43	417.49	7.86	-64.57
CSCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=N[N-]N=N1	REAL300020165517	0	49	0.0	-73.48	400.69	7.13	-66.35
CSCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=NN=N[N-]1	REAL300020165517	1	49	0.0	-73.44	400.75	7.15	-66.29
CSCC[C@H](NC(=O)C1C[N@@H+](C(C)C)CCO1)C1=NN=N[N-]1	REAL300020165519	1	46	0.0	-68.57	369.73	4.14	-64.43
CSCC[C@H](NC(=O)C1C[N@H+](C(C)C)CCO1)C1=NN=N[N-]1	REAL300020165519	1	46	0.0	-62.36	369.71	4.13	-58.23
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020165536	0	51	0.0	-70.82	412.09	7.35	-63.47
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020165536	1	51	0.0	-70.82	412.15	7.36	-63.46
CSCC[C@H](NC(=O)C1=CC=CC=C1C[NH+](C)C)C1=N[N-]N=N1	REAL300020165560	0	45	0.0	-43.43	368.56	6.21	-37.22
CSCC[C@H](NC(=O)C1=CC=CC=C1C[NH+](C)C)C1=NN=N[N-]1	REAL300020165560	1	45	0.0	-43.45	368.62	6.22	-37.23
CSCC[C@H](NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165629	0	52	0.0	-61.17	413.19	7.19	-53.98
CSCC[C@H](NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165629	1	52	0.0	-61.18	413.13	7.17	-54.01
CSCC[C@H](NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C1=N[N-]N=N1	REAL300020165645	1	44	0.0	-55.90	365.36	5.23	-50.67
CSCC[C@H](NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C1=NN=N[N-]1	REAL300020165645	1	44	0.0	-55.90	365.42	5.25	-50.65
CSCC[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020165651	0	55	0.0	-65.48	441.43	8.57	-56.91
CSCC[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020165651	1	55	0.0	-52.35	435.18	8.78	-43.57
CSCC[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020165651	1	55	0.0	-65.50	441.37	8.55	-56.95
CSCC[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020165651	1	55	0.0	-52.38	435.12	8.76	-43.62
CCN1CCC([NH+]2CCC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CC2)CC1	REAL300020165655	0	60	0.0	-64.03	451.49	5.32	-58.71
CCN1CCC([NH+]2CCC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CC2)CC1	REAL300020165655	1	60	0.0	-64.03	451.54	5.33	-58.70
CSCC[C@H](NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300020165696	0	44	0.0	-68.72	371.72	4.53	-64.19
CSCC[C@H](NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=NN=N[N-]1	REAL300020165706	1	37	0.0	-62.49	327.95	6.03	-56.46
CSCC[C@H](NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300020165911	0	48	0.0	-75.17	398.36	6.82	-68.35
CSCC[C@H](NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300020165911	1	48	0.0	-75.17	398.42	6.84	-68.33
CSCC[C@H](NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=NN=N[N-]1	REAL300020165954	1	45	0.0	-68.42	381.20	4.61	-63.81
CSCC[C@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C1=N[N-]N=N1	REAL300020166028	1	50	0.0	-72.75	410.67	6.43	-66.32
CSCC[C@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C1=N[N-]N=N1	REAL300020166028	1	50	0.0	-72.93	410.88	6.40	-66.53
CSCC[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=N[N-]N=N1	REAL300020166119	0	50	0.0	-66.52	397.51	6.14	-60.38
CSCC[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=NN=N[N-]1	REAL300020166119	1	50	0.0	-66.52	397.57	6.15	-60.37
CSCC[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020166127	0	49	0.0	-60.66	402.61	6.95	-53.71
CSCC[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020166127	1	49	0.0	-60.62	402.79	7.01	-53.61
CSCC[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020166127	1	49	0.0	-60.64	402.55	6.93	-53.71
CSCC[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020166127	1	49	0.0	-60.58	402.73	6.99	-53.59
CSCC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300020166144	0	48	0.0	-61.73	376.61	5.35	-56.38
CSCC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300020166144	1	48	0.0	-61.80	376.67	5.36	-56.44
CSCC[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300020166248	0	49	0.0	-61.90	390.17	5.84	-56.06
CSCC[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300020166248	1	49	0.0	-61.89	390.12	5.82	-56.07
CSCC[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166257	0	49	0.0	-71.72	401.04	6.87	-64.85
CSCC[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166257	1	49	0.0	-75.43	401.92	6.78	-68.65
CSCC[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166257	1	49	0.0	-71.68	400.98	6.85	-64.83
CSCC[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166257	1	49	0.0	-75.38	401.86	6.77	-68.61
CSCC[C@H](NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300020166259	0	53	0.0	-65.63	407.97	3.29	-62.34
CSCC[C@H](NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300020166259	1	53	0.0	-65.66	408.02	3.30	-62.36
CSCC[C@H](NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300020166262	0	56	0.0	-63.65	434.58	4.48	-59.17
CSCC[C@H](NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300020166262	1	56	0.0	-63.68	434.64	4.49	-59.19
CSCC[C@H](NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300020166288	0	45	0.0	-70.97	382.10	4.00	-66.97
CSCC[C@H](NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL300020166288	1	45	0.0	-70.94	382.04	3.98	-66.96
CSCC[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=N[N-]N=N1	REAL300020166312	0	52	0.0	-66.12	417.45	7.83	-58.29
CSCC[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NN=N[N-]1	REAL300020166312	1	52	0.0	-66.15	417.50	7.85	-58.30
CSCC[C@H](NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300020166422	0	45	0.0	-76.04	382.47	4.03	-72.01
CSCC[C@H](NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300020166422	1	45	0.0	-76.01	382.41	4.02	-71.99
CSCC[C@H](NC(=O)C1=CC=NN1CC[NH+](C)C)C1=NN=N[N-]1	REAL300020166423	0	45	0.0	-51.86	377.84	3.92	-47.94
CSCC[C@H](NC(=O)C1=CC=NN1CC[NH+](C)C)C1=N[N-]N=N1	REAL300020166423	1	45	0.0	-51.92	377.77	3.91	-48.01
CC[C@@H]1[C@@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC[N@@H+]1C	REAL300020166432	0	45	0.0	-64.87	355.26	4.22	-60.65
CC[C@@H]1[C@@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC[N@H+]1C	REAL300020166432	1	45	0.0	-64.33	359.70	4.55	-59.78
CC[C@@H]1[C@@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC[N@@H+]1C	REAL300020166432	1	45	0.0	-64.90	355.21	4.20	-60.70
CC[C@@H]1[C@@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC[N@H+]1C	REAL300020166432	1	45	0.0	-64.30	359.64	4.54	-59.76
CSCC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166499	0	49	0.0	-64.82	392.74	6.79	-58.03
CSCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166499	1	49	0.0	-69.58	371.46	6.59	-62.99
CSCC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166499	1	49	0.0	-64.83	392.69	6.78	-58.05
CSCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166499	1	49	0.0	-69.57	371.41	6.58	-62.99
CSCC[C@H](NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=NN=N[N-]1	REAL300020166500	0	45	0.0	-65.18	376.13	3.21	-61.97
CSCC[C@H](NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=N[N-]N=N1	REAL300020166500	1	45	0.0	-65.19	376.07	3.20	-61.99
CSCC[C@H](NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300020167707	0	48	0.0	-68.31	398.38	6.81	-61.50
CSCC[C@H](NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300020167707	1	48	0.0	-68.28	398.43	6.83	-61.45
CSCC[C@H](NC(=O)CC[N@@H+]1CCC(F)C1)C1=NN=N[N-]1	REAL300020167724	0	42	0.0	-63.39	351.82	4.27	-59.12
CSCC[C@H](NC(=O)CC[N@H+]1CCC(F)C1)C1=NN=N[N-]1	REAL300020167724	1	42	0.0	-63.22	351.98	4.33	-58.89
CSCC[C@H](NC(=O)C1=CC=C(C[NH+](C)C)O1)C1=NN=N[N-]1	REAL300020167734	1	42	0.0	-68.73	361.28	4.24	-64.49
CSCC[C@H](NC(=O)C1CCC[N@@H+](C(C)C)C1)C1=NN=N[N-]1	REAL300020167735	0	48	0.0	-57.33	376.66	5.31	-52.02
CSCC[C@H](NC(=O)C1CCC[N@H+](C(C)C)C1)C1=NN=N[N-]1	REAL300020167735	1	48	0.0	-58.82	376.70	5.31	-53.51
CSCC[C@H](NC(=O)C1CCC[N@@H+](C(C)C)C1)C1=N[N-]N=N1	REAL300020167735	1	48	0.0	-57.32	376.60	5.29	-52.03
CSCC[C@H](NC(=O)C1CCC[N@H+](C(C)C)C1)C1=N[N-]N=N1	REAL300020167735	1	48	0.0	-58.82	376.64	5.29	-53.53
CSCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1=NN=N[N-]1	REAL300020167736	0	46	0.0	-67.75	387.70	5.45	-62.30
CCC[N@@H+]1CCCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020167738	0	48	0.0	-58.45	381.51	5.53	-52.92
CCC[N@H+]1CCCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020167738	1	48	0.0	-60.51	381.51	5.53	-54.98
CCC[N@@H+]1CCCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020167738	1	48	0.0	-58.41	381.45	5.52	-52.89
CCC[N@H+]1CCCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020167738	1	48	0.0	-60.53	381.46	5.52	-55.01
CSCC[C@H](NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300020167739	0	42	0.0	-54.08	355.18	4.03	-50.05
CSCC[C@H](NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300020167739	1	42	0.0	-61.56	351.70	4.13	-57.43
CSCC[C@H](NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300020167739	1	42	0.0	-54.09	355.12	4.01	-50.08
CSCC[C@H](NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300020167739	1	42	0.0	-61.52	351.64	4.11	-57.41
CSCC[C@H](NC(=O)C(C)CC[NH+](C)C)C1=N[N-]N=N1	REAL300020167740	0	44	0.0	-62.66	357.77	4.37	-58.29
CSCC[C@H](NC(=O)C(C)CC[NH+](C)C)C1=NN=N[N-]1	REAL300020167740	1	44	0.0	-62.73	357.83	4.39	-58.34
CSCC[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL300020167853	0	46	0.0	-52.10	368.43	1.90	-50.20
CSCC[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL300020167853	1	46	0.0	-50.99	367.88	1.81	-49.18
CSCC[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)S1)C1=N[N-]N=N1	REAL300020167854	1	51	0.0	-69.41	427.53	4.60	-64.81
CSCC[C@H](NC(=O)C1CCC[N@@H+]1CC(C)C)C1=NN=N[N-]1	REAL300020167896	0	48	0.0	-53.27	382.05	5.66	-47.61
CSCC[C@H](NC(=O)C1CCC[N@H+]1CC(C)C)C1=NN=N[N-]1	REAL300020167896	1	48	0.0	-54.00	382.68	5.68	-48.32
CSCC[C@H](NC(=O)C[NH+]1CCC(CO)CC1)C1=NN=N[N-]1	REAL300020167897	1	46	0.0	-56.31	371.58	1.70	-54.61
CSCC[C@H](NC(=O)C1C[N@@H+]2CCN1CC2C)C1=NN=N[N-]1	REAL300020167904	0	45	0.0	-69.81	349.16	1.41	-68.40
CSCC[C@H](NC(=O)C1C[N@H+]2CCN1CC2C)C1=NN=N[N-]1	REAL300020167904	1	45	0.0	-68.39	350.56	1.49	-66.90
CSCC[C@H](NC(=O)C1C[N@@H+]2CCN1CC2C)C1=N[N-]N=N1	REAL300020167904	1	45	0.0	-69.75	349.10	1.40	-68.35
CSCC[C@H](NC(=O)C1C[N@H+]2CCN1CC2C)C1=N[N-]N=N1	REAL300020167904	1	45	0.0	-68.39	350.50	1.48	-66.91
CSCC[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300020167930	0	55	0.0	-70.03	451.79	7.25	-62.78
CSCC[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300020167930	1	55	0.0	-70.01	451.84	7.27	-62.74
CSCC[C@H](NC(=O)C1CC[NH+](CC(C)C)CC1)C1=N[N-]N=N1	REAL300020167940	0	51	0.0	-63.82	399.09	6.27	-57.55
CSCC[C@H](NC(=O)C1CC[NH+](CC(C)C)CC1)C1=NN=N[N-]1	REAL300020167940	1	51	0.0	-63.84	399.15	6.28	-57.56
CSCC[C@H](NC(=O)C1([NH+](C)C)CCCC1)C1=N[N-]N=N1	REAL300020167969	0	45	0.0	-57.91	347.46	4.70	-53.21
CSCC[C@H](NC(=O)C1([NH+](C)C)CCCC1)C1=NN=N[N-]1	REAL300020167969	1	45	0.0	-57.96	347.52	4.71	-53.25
CSCC[C@H](NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=NN=N[N-]1	REAL300020167975	0	49	0.0	-51.92	380.04	6.04	-45.88
CSCC[C@H](NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=NN=N[N-]1	REAL300020167975	1	49	0.0	-49.78	379.82	6.08	-43.70
CSCC[C@H](NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=N[N-]N=N1	REAL300020167975	1	49	0.0	-51.88	379.98	6.02	-45.86
CSCC[C@H](NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=N[N-]N=N1	REAL300020167975	1	49	0.0	-49.78	379.77	6.07	-43.71
CSCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL300020167980	0	49	0.0	-64.51	368.19	5.28	-59.23
CSCC[C@H](NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL300020167980	1	49	0.0	-49.16	372.51	6.00	-43.16
CSCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL300020167980	1	49	0.0	-64.42	368.13	5.26	-59.16
CSCC[C@H](NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL300020167980	1	49	0.0	-49.17	372.45	5.97	-43.20
CSCC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL300020168043	0	52	0.0	-63.61	418.47	7.48	-56.13
CSCC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL300020168043	1	52	0.0	-62.78	418.88	7.56	-55.22
CSCC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL300020168043	1	52	0.0	-63.59	418.41	7.46	-56.13
CSCC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL300020168043	1	52	0.0	-62.77	418.84	7.55	-55.22
CSCC[C@H](NC(=O)C1CCC[N@@H+]1C(C)C)C1=NN=N[N-]1	REAL300020168053	0	45	0.0	-57.37	346.71	4.57	-52.80
CSCC[C@H](NC(=O)C1CCC[N@H+]1C(C)C)C1=NN=N[N-]1	REAL300020168053	1	45	0.0	-51.43	342.86	4.63	-46.80
CSCC[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300020168066	0	53	0.0	-73.34	440.21	6.97	-66.37
CSCC[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300020168066	1	53	0.0	-73.36	440.27	6.98	-66.38
CSCC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C1=N[N-]N=N1	REAL300020168070	0	44	0.0	-62.48	358.24	2.81	-59.67
CSCC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C1=NN=N[N-]1	REAL300020168070	1	44	0.0	-62.50	358.30	2.82	-59.68
CSCC[C@H](NC(=O)COC1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300020168117	0	46	0.0	-69.75	377.69	4.59	-65.16
CSCC[C@H](NC(=O)COC1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300020168117	1	46	0.0	-69.69	377.74	4.61	-65.08
CSCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=NN=N[N-]1	REAL300020168126	1	49	0.0	-67.89	402.86	6.11	-61.78
CSCC[C@H](NC(=O)CC(O)C[NH+](C)C)C1=N[N-]N=N1	REAL300020168183	0	42	0.0	-67.09	350.21	1.52	-65.57
CSCC[C@H](NC(=O)CC(O)C[NH+](C)C)C1=NN=N[N-]1	REAL300020168183	1	42	0.0	-67.12	350.27	1.54	-65.58
CSCC[C@H](NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300020168214	0	51	0.0	-68.02	411.81	5.71	-62.31
CSCC[C@H](NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300020168214	1	51	0.0	-64.13	410.51	5.80	-58.33
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CSCC[C@H](NC(=O)C1CC[N@H+]2CCOCC12)C1=NN=N[N-]1	REAL300020168731	1	44	0.0	-57.70	352.92	2.82	-54.88
CSCC[C@H](NC(=O)C1CC[N@@H+]2CCOCC12)C1=N[N-]N=N1	REAL300020168731	1	44	0.0	-62.41	356.64	2.78	-59.63
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CSCC[C@H](NC(=O)CSCC[NH+](C)C)C1=NN=N[N-]1	REAL300020169290	1	42	0.0	-68.64	364.68	4.45	-64.19
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C[NH+](C)CCN1C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020175334	0	42	0.0	-65.41	345.43	5.37	-60.04
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C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175335	0	42	0.0	-57.82	339.97	5.32	-52.50
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175335	1	42	0.0	-57.77	339.91	5.32	-52.45
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300020175340	0	42	0.0	-54.93	318.34	5.57	-49.36
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300020175340	1	42	0.0	-49.38	321.06	6.12	-43.26
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300020175340	1	42	0.0	-54.98	318.29	5.57	-49.41
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300020175340	1	42	0.0	-49.30	321.02	6.11	-43.19
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CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175431	1	42	0.0	-45.59	306.29	4.52	-41.07
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175431	1	42	0.0	-43.38	323.27	5.62	-37.76
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020175444	1	43	0.0	-66.46	346.52	4.93	-61.53
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020175444	1	43	0.0	-66.36	346.94	4.91	-61.45
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020175475	0	49	0.0	-62.42	399.22	6.59	-55.83
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020175475	1	49	0.0	-62.43	399.26	6.60	-55.83
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175506	1	43	0.0	-47.50	347.70	7.12	-40.38
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175511	0	55	0.0	-49.96	421.48	4.93	-45.03
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175511	1	55	0.0	-49.98	421.52	4.94	-45.04
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CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176540	0	42	0.0	-52.13	313.84	2.70	-49.43
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176540	1	42	0.0	-51.90	313.84	2.81	-49.09
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176540	1	42	0.0	-43.74	314.30	2.84	-40.90
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176540	1	42	0.0	-45.72	313.26	2.80	-42.92
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176565	0	52	0.0	-61.80	415.77	8.64	-53.16
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176565	1	52	0.0	-61.83	415.81	8.65	-53.18
CC(C)C[NH+]1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020176572	0	48	0.0	-55.04	362.26	7.62	-47.42
CC(C)C[NH+]1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020176572	1	48	0.0	-54.99	362.22	7.62	-47.37
CC1CC2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C[N@@H+]2C1	REAL300020176596	0	46	0.0	-51.06	348.61	7.17	-43.89
CC1CC2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C[N@H+]2C1	REAL300020176596	1	46	0.0	-47.89	343.31	7.38	-40.51
CC1CC2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C[N@@H+]2C1	REAL300020176596	1	46	0.0	-50.93	348.57	7.17	-43.76
CC1CC2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C[N@H+]2C1	REAL300020176596	1	46	0.0	-47.88	343.26	7.38	-40.50
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300020176599	1	46	0.0	-50.53	335.69	7.34	-43.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300020176599	1	46	0.0	-52.56	331.42	6.62	-45.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300020176599	1	46	0.0	-50.53	335.64	7.34	-43.19
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176651	0	49	0.0	-55.93	382.63	8.98	-46.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176651	1	49	0.0	-57.49	386.35	8.95	-48.54
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176651	1	49	0.0	-55.91	382.58	8.97	-46.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176651	1	49	0.0	-57.44	386.30	8.96	-48.48
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176664	0	42	0.0	-43.21	313.50	5.93	-37.28
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176664	1	42	0.0	-43.14	313.36	5.92	-37.22
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176676	0	50	0.0	-64.37	404.17	8.36	-56.01
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176676	1	50	0.0	-64.30	404.21	8.36	-55.94
C[NH+]1CCC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020176716	0	43	0.0	-59.77	341.65	5.89	-53.88
C[NH+]1CCC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020176716	1	43	0.0	-59.84	341.69	5.90	-53.94
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300020176726	1	46	0.0	-57.50	365.82	7.47	-50.03
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC[N@H+]2CCOCC12	REAL300020177201	1	41	0.0	-53.46	318.73	4.09	-49.37
C[NH+](C)CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020178558	0	44	0.0	-57.61	368.54	5.84	-51.77
C[NH+](C)CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020178558	1	44	0.0	-57.58	368.59	5.85	-51.73
CCC1([NH+]2CCCC2)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020178579	0	48	0.0	-58.69	329.83	5.21	-53.48
CCC1([NH+]2CCCC2)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020178579	1	48	0.0	-58.68	329.89	5.22	-53.46
C[NH+](C)CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300020178586	0	41	0.0	-60.45	361.35	5.80	-54.65
C[NH+](C)CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300020178586	1	41	0.0	-60.50	361.41	5.81	-54.69
COCCN(CC1CC[NH+](C)CC1)C(=O)CCC1=N[N-]N=N1	REAL300020178604	0	48	0.0	-57.26	363.73	4.90	-52.36
COCCN(CC1CC[NH+](C)CC1)C(=O)CCC1=NN=N[N-]1	REAL300020178604	1	48	0.0	-57.26	363.79	4.91	-52.35
CC1([NH+]2CCOCC2)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020178608	0	46	0.0	-61.71	326.87	3.20	-58.51
CC1([NH+]2CCOCC2)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020178608	1	46	0.0	-61.69	326.93	3.22	-58.47
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)CCC1=N[N-]N=N1	REAL300020178638	0	48	0.0	-64.11	379.91	6.24	-57.87
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)CCC1=N[N-]N=N1	REAL300020178638	1	48	0.0	-63.92	375.25	6.09	-57.83
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)CCC1=NN=N[N-]1	REAL300020178638	1	48	0.0	-64.12	379.97	6.25	-57.87
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)CCC1=NN=N[N-]1	REAL300020178638	1	48	0.0	-63.99	375.30	6.11	-57.88
C[NH+]1CCN(C2=CC=NC(NC(=O)CCC3=N[N-]N=N3)=C2)CC1	REAL300020178648	0	43	0.0	-73.63	340.19	3.34	-70.29
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O=C(CCC1=NN=N[N-]1)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020178657	1	51	0.0	-64.56	375.78	6.90	-57.66
O=C(CCC1=N[N-]N=N1)N1CC2(C1)C[NH+](CC1=CC=CC=C1)C2	REAL300020178671	0	43	0.0	-68.31	354.49	6.49	-61.82
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C[NH+]1CCC(N2C=C(NC(=O)CCC3=NN=N[N-]3)C=N2)CC1	REAL300020178683	0	42	0.0	-74.70	334.29	3.40	-71.30
C[NH+]1CCC(N2C=C(NC(=O)CCC3=N[N-]N=N3)C=N2)CC1	REAL300020178683	1	42	0.0	-74.74	334.23	3.39	-71.35
COC1CC2CN(C(=O)CCC3=NN=N[N-]3)CC3=CC=C[NH+]=C3N2C1	REAL300020178692	1	46	0.0	-52.79	355.20	3.69	-49.10
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O=C(CCC1=N[N-]N=N1)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020178759	0	48	0.0	-58.15	359.31	6.02	-52.13
O=C(CCC1=N[N-]N=N1)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020178759	1	48	0.0	-60.06	368.29	6.70	-53.36
O=C(CCC1=NN=N[N-]1)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020178759	1	48	0.0	-58.16	359.37	6.03	-52.13
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O=C(CCC1=N[N-]N=N1)NCC1CC[N@@H+]1C1CCCCCC1	REAL300020178765	0	48	0.0	-61.03	354.59	4.83	-56.20
O=C(CCC1=N[N-]N=N1)NCC1CC[N@H+]1C1CCCCCC1	REAL300020178765	1	48	0.0	-60.80	348.38	4.40	-56.40
O=C(CCC1=NN=N[N-]1)NCC1CC[N@@H+]1C1CCCCCC1	REAL300020178765	1	48	0.0	-61.05	354.64	4.84	-56.21
O=C(CCC1=NN=N[N-]1)NCC1CC[N@H+]1C1CCCCCC1	REAL300020178765	1	48	0.0	-60.83	348.43	4.42	-56.41
CN1CC[NH+](C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)CC1	REAL300020178766	0	47	0.0	-61.99	346.56	3.14	-58.85
CN1CC[NH+](C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)CC1	REAL300020178766	1	47	0.0	-61.98	346.62	3.16	-58.82
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020178774	1	49	0.0	-65.24	375.42	4.43	-60.81
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020178774	1	49	0.0	-64.44	377.96	4.72	-59.72
O=C(CCC1=NN=N[N-]1)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1	REAL300020178785	1	42	0.0	-53.28	322.10	4.75	-48.53
C[NH+](C)CC1=C2CN(C(=O)CCC3=N[N-]N=N3)CCN2N=C1	REAL300020178793	0	42	0.0	-60.47	334.02	3.91	-56.56
C[NH+](C)CC1=C2CN(C(=O)CCC3=NN=N[N-]3)CCN2N=C1	REAL300020178793	1	42	0.0	-60.45	334.08	3.93	-56.52
O=C(CCC1=NN=N[N-]1)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1	REAL300020178811	1	42	0.0	-53.26	322.18	4.65	-48.61
CC1=CC=C(C[N@@H+]2CCC(NC(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020178818	0	45	0.0	-64.53	359.83	5.76	-58.77
CC1=CC=C(C[N@H+]2CCC(NC(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020178818	1	45	0.0	-64.49	360.39	5.85	-58.64
CC1=CC=C(C[N@@H+]2CCC(NC(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020178818	1	45	0.0	-64.53	359.89	5.78	-58.75
CC1=CC=C(C[N@H+]2CCC(NC(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020178818	1	45	0.0	-64.51	360.45	5.87	-58.64
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCC1=N[N-]N=N1	REAL300020178820	0	46	0.0	-62.82	355.60	4.17	-58.65
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCC1=NN=N[N-]1	REAL300020178820	1	46	0.0	-62.79	355.66	4.18	-58.61
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CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193803	0	56	0.0	-68.42	429.65	9.58	-58.84
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193803	1	56	0.0	-65.68	429.41	9.53	-56.15
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193803	1	56	0.0	-68.44	429.72	9.58	-58.86
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193803	1	56	0.0	-65.64	429.48	9.54	-56.10
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193878	0	49	0.0	-73.97	369.95	7.32	-66.65
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193878	1	49	0.0	-74.00	370.02	7.34	-66.66
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193907	0	46	0.0	-73.78	353.20	6.61	-67.17
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193907	1	46	0.0	-73.84	353.28	6.63	-67.21
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020193909	1	56	0.0	-66.69	424.11	4.17	-62.52
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193921	0	48	0.0	-72.14	358.09	6.50	-65.64
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193921	1	48	0.0	-72.13	358.16	6.52	-65.61
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193945	0	42	0.0	-52.34	328.46	5.56	-46.78
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193945	1	42	0.0	-52.36	328.54	5.58	-46.78
C[NH+](C)CCN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020193948	0	52	0.0	-72.64	403.46	6.83	-65.81
C[NH+](C)CCN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020193948	1	52	0.0	-72.60	403.37	6.82	-65.78
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193992	0	49	0.0	-76.82	386.55	7.67	-69.15
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193992	1	49	0.0	-65.15	377.28	7.57	-57.58
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193992	1	49	0.0	-76.75	386.63	7.68	-69.07
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193992	1	49	0.0	-65.19	377.35	7.57	-57.62
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194005	0	49	0.0	-56.26	377.35	7.52	-48.74
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194005	1	49	0.0	-56.24	377.43	7.53	-48.71
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CN21	REAL300020194024	1	41	0.0	-59.39	324.67	5.07	-54.32
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CN21	REAL300020194024	1	41	0.0	-59.43	324.74	5.09	-54.34
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194032	0	52	0.0	-69.83	399.71	8.42	-61.41
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194032	1	52	0.0	-51.62	388.78	8.45	-43.17
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194032	1	52	0.0	-69.89	399.78	8.43	-61.46
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194032	1	52	0.0	-51.61	388.85	8.46	-43.15
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)CC1	REAL300020194035	0	57	0.0	-55.22	410.02	5.27	-49.95
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)CC1	REAL300020194035	1	57	0.0	-55.24	410.09	5.28	-49.96
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020194074	0	41	0.0	-71.56	324.04	3.65	-67.91
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194250	0	45	0.0	-75.98	350.88	6.31	-69.67
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194250	1	45	0.0	-75.99	350.96	6.33	-69.66
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194291	1	42	0.0	-69.91	338.00	4.80	-65.11
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300020194348	1	47	0.0	-77.42	363.29	5.86	-71.56
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300020194348	1	47	0.0	-77.44	363.47	5.85	-71.59
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194413	0	47	0.0	-60.58	358.96	6.22	-54.36
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194413	1	47	0.0	-60.63	359.04	6.23	-54.40
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194420	0	46	0.0	-66.55	354.93	6.67	-59.88
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194420	1	46	0.0	-65.77	356.78	6.74	-59.03
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194420	1	46	0.0	-66.58	355.00	6.69	-59.89
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194420	1	46	0.0	-65.77	356.85	6.76	-59.01
O=C(C1C[NH+](C2CCCCC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194522	0	46	0.0	-62.72	347.60	5.83	-56.89
O=C(C1C[NH+](C2CCCCC2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194522	1	46	0.0	-62.75	347.67	5.84	-56.91
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195586	1	50	0.0	-59.41	393.88	4.16	-55.25
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195586	1	50	0.0	-58.38	393.42	4.19	-54.19
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195587	1	47	0.0	-60.34	372.01	1.92	-58.42
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195587	1	47	0.0	-56.60	372.40	1.86	-54.74
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195588	0	54	0.0	-66.86	415.17	3.80	-63.06
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020195588	1	54	0.0	-66.90	415.10	3.80	-63.10
C[NH+](C)CCSC1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020195709	0	45	0.0	-76.77	385.77	5.13	-71.64
C[NH+](C)CCSC1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020195709	1	45	0.0	-76.77	385.85	5.14	-71.63
C[NH+](C)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)COC2=CC=CC=C2C1	REAL300020195712	1	47	0.0	-71.26	338.71	5.15	-66.11
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195805	0	45	0.0	-76.39	350.89	6.29	-70.10
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195805	1	45	0.0	-76.37	350.97	6.30	-70.07
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195824	1	43	0.0	-70.24	343.29	5.41	-64.83
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195826	0	51	0.0	-72.07	405.84	6.35	-65.72
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195826	1	51	0.0	-72.05	405.91	6.36	-65.69
C[N@@H+]1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)C1	REAL300020195827	0	39	0.0	-75.07	306.87	4.60	-70.47
C[N@H+]1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)C1	REAL300020195827	1	39	0.0	-71.28	308.86	3.82	-67.46
C[N@@H+]1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)C1	REAL300020195827	1	39	0.0	-75.06	306.94	4.61	-70.45
C[N@H+]1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)C1	REAL300020195827	1	39	0.0	-71.30	308.93	3.82	-67.48
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)CC1	REAL300020195948	1	48	0.0	-69.65	380.19	4.26	-65.39
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196011	0	52	0.0	-69.62	410.36	7.26	-62.36
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196011	1	52	0.0	-69.67	410.44	7.27	-62.40
CC(C)C[NH+]1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020196020	0	48	0.0	-55.01	356.35	6.10	-48.91
CC(C)C[NH+]1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020196020	1	48	0.0	-55.02	356.42	6.12	-48.90
CC1CC2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C[N@@H+]2C1	REAL300020196047	0	46	0.0	-62.41	344.04	5.72	-56.69
CC1CC2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C[N@H+]2C1	REAL300020196047	1	46	0.0	-47.51	334.10	5.72	-41.79
CC1CC2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C[N@@H+]2C1	REAL300020196047	1	46	0.0	-62.42	344.11	5.73	-56.69
CC1CC2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C[N@H+]2C1	REAL300020196047	1	46	0.0	-47.53	334.17	5.72	-41.81
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(C2=N[N-]N=N2)C1	REAL300020196049	0	46	0.0	-69.68	327.53	5.04	-64.64
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC(C2=N[N-]N=N2)C1	REAL300020196049	1	46	0.0	-47.82	330.41	5.85	-41.97
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(C2=NN=N[N-]2)C1	REAL300020196049	1	46	0.0	-69.72	327.60	5.05	-64.67
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC(C2=NN=N[N-]2)C1	REAL300020196049	1	46	0.0	-47.88	330.49	5.87	-42.01
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196110	0	49	0.0	-71.50	377.50	7.35	-64.15
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196110	1	49	0.0	-70.90	375.74	7.28	-63.62
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196110	1	49	0.0	-71.52	377.58	7.36	-64.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196110	1	49	0.0	-70.92	375.81	7.29	-63.63
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196135	0	50	0.0	-72.36	398.03	6.92	-65.44
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196135	1	50	0.0	-72.39	398.10	6.94	-65.45
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196192	1	46	0.0	-69.81	358.46	6.07	-63.74
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300020196273	0	48	0.0	-65.90	365.92	5.51	-60.39
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300020196273	1	48	0.0	-62.57	364.15	5.49	-57.08
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300020196273	1	48	0.0	-65.90	365.99	5.51	-60.39
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300020196273	1	48	0.0	-62.61	364.23	5.50	-57.11
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196526	0	46	0.0	-66.55	354.93	6.67	-59.88
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196526	1	46	0.0	-65.77	356.78	6.74	-59.03
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196526	1	46	0.0	-66.58	355.00	6.69	-59.89
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196526	1	46	0.0	-65.77	356.85	6.76	-59.01
O=C(N1CCC(C2=N[N-]N=N2)C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020196762	0	50	0.0	-72.12	379.82	7.68	-64.44
O=C(N1CCC(C2=N[N-]N=N2)C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020196762	1	50	0.0	-68.17	380.67	7.70	-60.47
O=C(N1CCC(C2=NN=N[N-]2)C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020196762	1	50	0.0	-72.16	379.89	7.68	-64.48
O=C(N1CCC(C2=NN=N[N-]2)C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020196762	1	50	0.0	-68.18	380.74	7.71	-60.47
O=C(C1CCCC[N@H+]1CC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196834	1	49	0.0	-64.09	379.99	7.66	-56.43
O=C(C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196834	1	49	0.0	-64.72	371.80	7.36	-57.36
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196917	0	48	0.0	-68.34	335.49	5.06	-63.28
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196917	1	48	0.0	-73.66	331.81	4.55	-69.11
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196917	1	48	0.0	-68.38	335.57	5.06	-63.32
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196917	1	48	0.0	-73.67	331.88	4.57	-69.10
C[NH+](C)C1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197012	0	59	0.0	-66.29	438.14	5.81	-60.48
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C[N@@H+](CCOC1=CC=CC=C1)CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020198639	1	52	0.0	-69.72	416.58	7.86	-61.86
CC1([NH+]2CCCC2)CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020198686	0	48	0.0	-59.28	340.56	4.94	-54.34
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CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020198707	1	41	0.0	-61.47	316.94	3.04	-58.43
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C[NH+](C)CCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CN=C1	REAL300020198749	1	43	0.0	-66.65	350.52	4.21	-62.44
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C[NH+](C)CCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201392	0	40	0.0	-67.63	343.77	2.61	-65.02
C[NH+](C)CCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201392	1	40	0.0	-67.58	343.82	2.60	-64.98
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201399	1	51	0.0	-59.16	409.07	6.11	-53.05
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201399	1	51	0.0	-57.63	418.55	6.29	-51.34
CCCCCC[N@H+](C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201400	0	46	0.0	-64.21	382.19	4.20	-60.01
CCCCCC[N@@H+](C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201400	1	46	0.0	-64.29	382.19	4.21	-60.08
C[NH+](C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(Cl)=C1	REAL300020201412	1	41	0.0	-61.52	369.92	4.45	-57.07
CC(C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[NH+](C)C	REAL300020201415	0	40	0.0	-60.08	327.91	2.68	-57.40
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CC[NH+](C)CC1	REAL300020201448	1	43	0.0	-65.99	351.67	0.32	-65.67
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1CC[NH+](C)CC1	REAL300020201448	1	43	0.0	-65.88	351.72	0.29	-65.59
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[NH+]1CCCCCC1	REAL300020201530	0	44	0.0	-60.81	342.95	3.13	-57.68
C[N@@H+]1CCCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201534	1	38	0.0	-61.39	320.43	2.04	-59.35
C[N@H+]1CCCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201534	1	38	0.0	-58.19	320.39	2.04	-56.15
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201562	1	42	0.0	-59.23	363.87	3.61	-55.62
C[NH+](C)CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)OC2=CC=CC=C21	REAL300020201563	0	44	0.0	-62.46	377.65	4.29	-58.17
C[NH+](C)CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)OC2=CC=CC=C21	REAL300020201563	1	44	0.0	-62.37	377.70	4.26	-58.11
CC[N@@H+]1CCOC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020201582	1	39	0.0	-65.99	333.62	1.55	-64.44
CC[N@H+]1CCOC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020201582	1	39	0.0	-70.90	333.62	1.55	-69.35
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020201592	0	41	0.0	-69.79	367.71	3.08	-66.71
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020201592	1	41	0.0	-69.83	367.66	3.10	-66.73
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020201655	0	46	0.0	-65.05	391.39	1.87	-63.18
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020201655	1	46	0.0	-64.86	391.72	1.85	-63.01
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[N@H+](C)CC1=CC=CC=C1	REAL300020201706	1	44	0.0	-64.54	373.21	4.44	-60.10
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[N@@H+](C)CC1=CC=CC=C1	REAL300020201706	1	44	0.0	-63.76	373.35	4.46	-59.30
CC1CCC(C)[NH+]1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201734	1	41	0.0	-59.64	335.60	2.48	-57.16
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201746	1	49	0.0	-73.59	406.02	4.94	-68.65
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201746	1	49	0.0	-71.57	412.79	4.99	-66.58
C[NH+](C)CC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201773	0	41	0.0	-68.64	356.57	3.96	-64.68
C[NH+](C)CC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201773	1	41	0.0	-68.60	356.62	3.93	-64.67
CC[NH+]1CCN(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020201774	0	46	0.0	-65.47	376.51	1.11	-64.36
CC[NH+]1CCN(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020201774	1	46	0.0	-65.42	376.57	1.08	-64.34
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020201777	1	48	0.0	-57.76	397.12	5.60	-52.16
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020201777	1	48	0.0	-59.36	387.66	5.44	-53.92
C[NH+]1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020201800	0	38	0.0	-66.23	322.99	2.14	-64.09
C[NH+]1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020201800	1	38	0.0	-66.23	323.04	2.11	-64.12
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201801	0	50	0.0	-70.06	411.21	3.82	-66.24
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CC[NH+](CC)CCSCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201802	0	44	0.0	-68.06	376.55	3.50	-64.56
CC[NH+](CC)CCSCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201802	1	44	0.0	-67.96	376.60	3.48	-64.48
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O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201814	0	49	0.0	-65.71	371.33	2.15	-63.56
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201814	1	49	0.0	-65.71	371.39	2.12	-63.59
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)CC1	REAL300020201823	0	50	0.0	-70.88	415.18	3.40	-67.48
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)CC1	REAL300020201823	1	50	0.0	-70.89	415.23	3.37	-67.52
CCC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[NH+](CC)CC	REAL300020201825	0	43	0.0	-56.63	344.63	2.74	-53.89
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[N@@H+](C2CCCCC2)C1	REAL300020201984	0	48	0.0	-62.65	383.07	4.37	-58.28
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[N@H+](C2CCCCC2)C1	REAL300020201984	1	48	0.0	-64.66	383.05	4.37	-60.29
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[N@@H+](C2CCCCC2)C1	REAL300020201984	1	48	0.0	-62.63	383.13	4.34	-58.29
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[N@H+](C2CCCCC2)C1	REAL300020201984	1	48	0.0	-64.73	383.10	4.34	-60.39
C[N@@H+]1CCCC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201986	1	38	0.0	-61.43	320.42	2.04	-59.39
C[N@H+]1CCCC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201986	1	38	0.0	-62.69	311.10	1.89	-60.80
C[NH+](C)CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC=C1	REAL300020202167	1	38	0.0	-60.26	343.58	3.06	-57.20
C[NH+](C)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC1	REAL300020202184	0	38	0.0	-60.77	315.80	1.78	-58.99
CC1CC[NH+](CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020202198	1	41	0.0	-63.11	341.03	2.93	-60.18
CC(C)[C@@H](C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[NH+](C)C	REAL300020202255	0	40	0.0	-63.17	326.24	2.16	-61.01
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020202278	0	49	0.0	-58.77	403.07	2.44	-56.33
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020202278	1	49	0.0	-66.04	403.04	2.44	-63.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020202278	1	49	0.0	-58.72	403.12	2.42	-56.30
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020202278	1	49	0.0	-65.99	403.09	2.41	-63.58
CC(C[NH+]1CCOCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202423	1	42	0.0	-65.74	349.77	1.18	-64.56
C[N@H+](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCSC1	REAL300020202460	0	39	0.0	-67.09	337.95	2.68	-64.41
C[N@@H+](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCSC1	REAL300020202460	1	39	0.0	-68.17	337.75	2.70	-65.47
CC[N@H+](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC1	REAL300020202505	0	38	0.0	-60.62	324.82	2.43	-58.19
CC[N@@H+](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC1	REAL300020202505	1	38	0.0	-60.38	324.82	2.43	-57.95
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC[N@@H+]1C1CCCC1	REAL300020202526	0	45	0.0	-62.17	354.49	3.80	-58.37
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC[N@H+]1C1CCCC1	REAL300020202526	1	45	0.0	-60.55	364.40	3.83	-56.72
CCCC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[NH+](C)C	REAL300020202578	0	40	0.0	-60.80	332.58	2.36	-58.44
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C[NH+]=CN2C=C1	REAL300020202595	1	33	0.0	-68.74	308.90	3.96	-64.78
C[NH+]1CCC(C)(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020202624	0	41	0.0	-59.11	335.67	2.55	-56.56
C[NH+]1CCC(C)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020202624	1	41	0.0	-59.04	335.72	2.53	-56.51
CCC(C)(C)[NH2+]C(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202630	0	43	0.0	-59.54	343.80	1.07	-58.47
CCC(C)(C)[NH2+]C(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202630	1	43	0.0	-59.48	343.84	1.05	-58.43
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020202657	0	51	0.0	-58.16	412.13	6.13	-52.03
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020202657	1	51	0.0	-58.07	412.18	6.10	-51.97
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CC2=C[NH+]=CN21	REAL300020202672	1	36	0.0	-65.09	322.54	4.32	-60.77
C[NH+](C)CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCCC1	REAL300020202921	0	47	0.0	-70.69	362.90	4.16	-66.53
C[NH+](C)CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCCC1	REAL300020202921	1	47	0.0	-70.64	362.95	4.13	-66.51
C[N@H+](CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCCC1	REAL300020202932	0	47	0.0	-65.93	376.82	4.06	-61.87
C[N@@H+](CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCCC1	REAL300020202932	1	47	0.0	-65.40	376.83	4.06	-61.34
C[N@H+](CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCCC1	REAL300020202932	1	47	0.0	-65.87	376.87	4.05	-61.82
C[N@@H+](CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCCC1	REAL300020202932	1	47	0.0	-65.41	376.88	4.05	-61.36
C[NH+](C)C(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020203087	0	44	0.0	-57.54	366.13	4.37	-53.17
C[NH+](C)C(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020203087	1	44	0.0	-57.47	366.18	4.35	-53.12
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC[N@@H+]1C1CCCC1	REAL300020203097	0	48	0.0	-57.09	376.41	4.26	-52.83
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC[N@H+]1C1CCCC1	REAL300020203097	1	48	0.0	-58.11	376.02	4.26	-53.85
O=C(CCCC[NH+]1CCOCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203196	1	45	0.0	-69.35	376.73	2.04	-67.31
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[NH+](C2CC2)CC1	REAL300020203433	0	42	0.0	-63.50	347.85	3.34	-60.16
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[NH+](C2CC2)CC1	REAL300020203433	1	42	0.0	-63.43	347.90	3.31	-60.12
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C12CCC[NH+]1CCC2	REAL300020203445	0	39	0.0	-57.70	323.05	2.43	-55.27
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC[N@@H+]1C1CC1	REAL300020203572	1	39	0.0	-58.04	335.96	2.95	-55.09
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC[N@H+]1C1CC1	REAL300020203572	1	39	0.0	-58.24	328.93	2.30	-55.94
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020203612	0	48	0.0	-70.49	398.12	5.83	-64.66
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020203612	1	48	0.0	-70.47	398.17	5.80	-64.67
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020203643	0	45	0.0	-70.18	381.37	5.12	-65.06
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020203643	1	45	0.0	-70.15	381.42	5.09	-65.06
CC(C)[N@@H+]1CCOC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020203645	1	42	0.0	-64.60	350.39	2.08	-62.52
CC(C)[N@H+]1CCOC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020203645	1	42	0.0	-68.95	350.39	2.07	-66.88
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020203661	0	47	0.0	-69.21	386.39	5.00	-64.21
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020203661	1	47	0.0	-69.11	386.44	4.97	-64.14
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203682	0	41	0.0	-59.43	349.02	4.25	-55.18
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203682	1	41	0.0	-59.37	349.07	4.22	-55.15
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300020203748	0	48	0.0	-56.91	393.06	6.44	-50.47
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300020203748	1	48	0.0	-56.89	393.12	6.41	-50.48
CC1=[NH+]C=C2CCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CN21	REAL300020203764	1	40	0.0	-58.85	346.09	3.19	-55.66
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300020203770	0	51	0.0	-63.59	415.82	6.74	-56.85
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300020203770	1	51	0.0	-68.33	422.04	6.54	-61.79
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300020203770	1	51	0.0	-63.55	415.87	6.71	-56.84
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300020203770	1	51	0.0	-68.30	422.09	6.51	-61.79
C[NH+](C)CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020203816	0	40	0.0	-69.31	352.39	2.47	-66.84
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN2C=[NH+]C=C2C=C1	REAL300020203827	1	33	0.0	-65.89	308.63	3.95	-61.94
CC1=[NH+]C=CN1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203850	1	33	0.0	-59.78	307.89	2.07	-57.71
C[NH+](C)CCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020204045	0	44	0.0	-72.70	379.05	4.82	-67.88
C[NH+](C)CCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020204045	1	44	0.0	-72.59	379.10	4.79	-67.80
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC(C[NH+]2CCCC2)=C1	REAL300020204090	1	41	0.0	-72.44	362.95	2.63	-69.81
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C1N2	REAL300020204166	1	46	0.0	-73.82	391.57	4.37	-69.45
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C1N2	REAL300020204166	1	46	0.0	-74.05	391.56	4.37	-69.68
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[NH+](C2CCSC2)CC1	REAL300020204254	0	46	0.0	-71.45	382.19	4.36	-67.09
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[NH+](C2CCSC2)CC1	REAL300020204254	1	46	0.0	-71.42	382.25	4.33	-67.09
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020204262	0	45	0.0	-66.73	382.97	4.96	-61.77
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020204262	1	45	0.0	-65.93	383.37	4.99	-60.94
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020204262	1	45	0.0	-66.71	383.03	4.93	-61.78
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020204262	1	45	0.0	-65.90	383.42	4.97	-60.93
CC(C)[NH+]1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204278	0	44	0.0	-63.52	353.66	3.09	-60.43
CC(C)[NH+]1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204278	1	44	0.0	-63.45	353.71	3.06	-60.39
C[N@H+](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC1	REAL300020204325	0	38	0.0	-60.80	324.68	2.43	-58.37
C[N@@H+](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC1	REAL300020204325	1	38	0.0	-61.58	324.58	2.43	-59.15
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1C[NH+](C2CCCCC2)C1	REAL300020204385	0	45	0.0	-64.25	370.39	3.82	-60.43
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1C[NH+](C2CCCCC2)C1	REAL300020204385	1	45	0.0	-64.20	370.44	3.80	-60.40
C[N@@H+]1C[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)[C@@H](C2=CC=CC=C2)C1	REAL300020204394	0	45	0.0	-74.60	381.95	4.72	-69.88
C[N@H+]1C[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)[C@@H](C2=CC=CC=C2)C1	REAL300020204394	1	45	0.0	-72.25	381.42	4.85	-67.40
C[N@@H+]1C[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)[C@@H](C2=CC=CC=C2)C1	REAL300020204394	1	45	0.0	-74.56	382.00	4.68	-69.88
C[N@H+]1C[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)[C@@H](C2=CC=CC=C2)C1	REAL300020204394	1	45	0.0	-72.22	381.47	4.83	-67.39
CC(C)[NH+]1CCN(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204396	0	49	0.0	-63.73	393.76	1.66	-62.07
CC(C)[NH+]1CCN(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204396	1	49	0.0	-63.73	393.81	1.63	-62.10
CC(C)[NH+]1CCN(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204399	0	52	0.0	-64.87	415.26	2.46	-62.41
CC(C)[NH+]1CCN(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204399	1	52	0.0	-64.85	415.31	2.43	-62.42
C[NH+](C)CCN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020204426	0	41	0.0	-73.31	362.77	1.95	-71.36
C[NH+](C)CCN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020204426	1	41	0.0	-73.31	362.72	1.98	-71.33
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020204451	0	48	0.0	-68.44	398.13	5.82	-62.62
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020204451	1	48	0.0	-68.37	398.18	5.79	-62.58
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020205570	1	46	0.0	-66.46	396.56	-0.34	-66.80
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020205570	1	46	0.0	-65.42	397.95	-0.33	-65.75
C[N@@H+]1CCCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205576	1	38	0.0	-61.39	320.43	2.04	-59.35
C[N@H+]1CCCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205576	1	38	0.0	-58.19	320.39	2.04	-56.15
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020205812	0	44	0.0	-70.27	379.06	4.80	-65.47
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020205812	1	44	0.0	-70.24	379.11	4.78	-65.46
O=C(CC[N@H+]1CCC(F)C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205828	0	38	0.0	-68.62	332.67	2.27	-66.35
O=C(CC[N@@H+]1CCC(F)C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205828	1	38	0.0	-69.44	333.06	2.26	-67.18
C[NH+](C)CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020205837	1	38	0.0	-67.80	342.99	2.25	-65.55
CC(C)[N@@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205838	0	44	0.0	-57.14	351.05	3.47	-53.67
CC(C)[N@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205838	1	44	0.0	-62.37	357.31	3.27	-59.10
CC(C)[N@@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205838	1	44	0.0	-57.11	351.10	3.44	-53.67
CC(C)[N@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205838	1	44	0.0	-62.33	357.37	3.24	-59.09
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300020205839	0	42	0.0	-67.06	368.38	3.38	-63.68
CCC[N@@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205841	0	44	0.0	-63.42	362.16	3.49	-59.93
CCC[N@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205841	1	44	0.0	-60.04	355.89	3.70	-56.34
CCC[N@@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205841	1	44	0.0	-63.43	362.21	3.47	-59.96
CCC[N@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205841	1	44	0.0	-59.99	355.94	3.67	-56.32
C[N@@H+]1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)(F)F)C1	REAL300020205842	0	38	0.0	-66.53	342.41	2.20	-64.33
C[N@H+]1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)(F)F)C1	REAL300020205842	1	38	0.0	-67.48	342.91	2.21	-65.27
CC(CC[NH+](C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205843	0	40	0.0	-66.33	338.45	2.37	-63.96
CC(CC[NH+](C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205843	1	40	0.0	-66.25	338.50	2.35	-63.90
C[N@H+](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1CCC[C@H]1O	REAL300020205953	0	42	0.0	-61.21	349.48	-0.33	-61.54
C[N@@H+](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1CCC[C@H]1O	REAL300020205953	1	42	0.0	-60.68	349.10	-0.17	-60.85
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205992	0	44	0.0	-59.84	363.38	3.62	-56.22
CC(C)C[N@H+]1CCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205992	1	44	0.0	-60.12	354.70	3.36	-56.76
CC1CN2CC[N@@H+]1CC2C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206000	0	41	0.0	-68.58	331.18	-0.54	-69.12
CC1CN2CC[N@H+]1CC2C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206000	1	41	0.0	-69.53	329.68	-0.62	-70.15
CC1CN2CC[N@@H+]1CC2C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206000	1	41	0.0	-68.55	331.23	-0.57	-69.12
CC1CN2CC[N@H+]1CC2C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206000	1	41	0.0	-69.53	329.73	-0.64	-70.17
CC(C)C[NH+]1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020206033	0	47	0.0	-65.82	379.46	4.23	-61.59
CC(C)C[NH+]1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020206033	1	47	0.0	-65.78	379.51	4.20	-61.58
C[NH+](C)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020206062	0	41	0.0	-60.50	329.92	2.74	-57.76
CC1CC2CCC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C[N@@H+]2C1	REAL300020206068	0	45	0.0	-61.50	366.25	3.84	-57.66
CC1CC2CCC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C[N@H+]2C1	REAL300020206068	1	45	0.0	-62.49	366.77	3.79	-58.70
CC1CC2CCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C[N@@H+]2C1	REAL300020206068	1	45	0.0	-61.49	366.30	3.81	-57.68
CC1CC2CCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C[N@H+]2C1	REAL300020206068	1	45	0.0	-62.41	366.82	3.76	-58.65
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300020206073	0	45	0.0	-65.39	348.72	3.24	-62.15
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300020206073	1	45	0.0	-56.75	353.13	3.95	-52.80
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300020206073	1	45	0.0	-65.36	348.77	3.21	-62.15
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300020206073	1	45	0.0	-56.72	353.18	3.92	-52.80
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206127	0	48	0.0	-71.71	403.11	5.46	-66.25
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206127	1	48	0.0	-67.32	400.40	5.53	-61.79
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206127	1	48	0.0	-71.62	403.16	5.43	-66.19
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206127	1	48	0.0	-67.28	400.46	5.50	-61.78
CC(C)[N@@H+]1CCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206135	1	41	0.0	-57.79	331.26	2.73	-55.06
CC(C)[N@H+]1CCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206135	1	41	0.0	-58.53	337.25	2.56	-55.97
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020206148	0	49	0.0	-71.38	420.90	4.94	-66.44
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020206148	1	49	0.0	-71.35	420.95	4.91	-66.44
CC(C)(C)[NH2+]CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206151	0	40	0.0	-67.17	338.91	0.78	-66.39
CC(C)(C)[NH2+]CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206151	1	40	0.0	-67.13	338.97	0.74	-66.39
C[NH+]1CCC(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020206198	0	42	0.0	-70.56	358.36	2.57	-67.99
C[NH+]1CCC(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020206198	1	42	0.0	-70.53	358.41	2.54	-67.99
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300020206207	1	45	0.0	-67.56	384.61	4.13	-63.43
C[NH+](C)CC(O)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206262	0	38	0.0	-69.77	331.02	-0.47	-70.24
C[NH+](C)CC(O)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206262	1	38	0.0	-69.73	331.07	-0.49	-70.22
C=CCC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[NH+](C)C	REAL300020206514	0	38	0.0	-60.16	325.08	2.12	-58.04
C[N@@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020206537	0	38	0.0	-64.66	323.00	2.10	-62.56
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CC[N@H+]1CCOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020210975	1	46	0.0	-63.35	322.73	4.58	-58.77
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CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300020211071	1	51	0.0	-43.94	367.75	8.20	-35.74
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300020211071	1	51	0.0	-47.31	367.61	8.10	-39.21
CC1CCC(C)[NH+]1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211091	0	48	0.0	-47.68	331.51	6.06	-41.62
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C[NH+](C)CC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211126	0	48	0.0	-75.32	360.60	7.44	-67.88
C[NH+](C)CC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211126	1	48	0.0	-75.35	360.64	7.46	-67.89
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CC[NH+]1CCN(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211127	1	53	0.0	-69.66	381.14	4.61	-65.05
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCCC3CC3=N[N-]N=N3)CC2)=C1	REAL300020211151	0	60	0.0	-73.10	437.75	7.84	-65.26
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCCC3CC3=NN=N[N-]3)CC2)=C1	REAL300020211151	1	60	0.0	-73.13	437.81	7.86	-65.27
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CC[NH+](CC)CCSCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211153	0	51	0.0	-63.73	380.64	7.51	-56.22
CC[NH+](CC)CCSCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211153	1	51	0.0	-63.75	380.69	7.53	-56.22
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O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211154	1	56	0.0	-61.98	409.45	7.01	-54.97
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)CC1	REAL300020211155	0	57	0.0	-75.31	419.28	6.88	-68.43
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)CC1	REAL300020211155	1	57	0.0	-75.32	419.33	6.89	-68.43
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211162	0	56	0.0	-60.31	374.53	6.11	-54.20
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211162	1	56	0.0	-60.37	374.56	6.13	-54.24
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1	REAL300020211173	0	57	0.0	-75.57	414.25	6.45	-69.12
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1	REAL300020211173	1	57	0.0	-75.48	414.24	6.48	-69.00
CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)[NH+](CC)CC	REAL300020211175	0	50	0.0	-51.73	336.00	6.40	-45.33
CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)[NH+](CC)CC	REAL300020211175	1	50	0.0	-51.76	336.05	6.41	-45.35
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211293	0	55	0.0	-72.81	405.98	8.96	-63.85
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211293	1	55	0.0	-73.67	408.80	9.05	-64.62
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211293	1	55	0.0	-72.82	406.04	8.96	-63.86
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211293	1	55	0.0	-73.66	408.87	9.05	-64.61
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211314	0	55	0.0	-54.65	380.37	7.94	-46.71
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211314	1	55	0.0	-60.17	380.82	7.94	-52.23
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211314	1	55	0.0	-54.64	380.42	7.94	-46.70
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211314	1	55	0.0	-60.16	380.88	7.94	-52.22
CC1CC[NH+](CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211481	0	48	0.0	-49.10	337.99	6.73	-42.37
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212632	0	55	0.0	-70.67	399.63	9.14	-61.53
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212632	1	55	0.0	-70.68	399.67	9.17	-61.51
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212655	0	52	0.0	-70.27	382.89	8.43	-61.84
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212655	1	52	0.0	-70.26	382.92	8.46	-61.80
CC(C)[N@@H+]1CCOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020212657	1	49	0.0	-74.40	350.60	5.00	-69.40
CC(C)[N@H+]1CCOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020212657	1	49	0.0	-60.70	339.05	5.15	-55.55
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212670	0	54	0.0	-69.25	390.76	8.66	-60.59
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212670	1	54	0.0	-69.31	390.85	8.67	-60.64
CC1=[NH+]C=C2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CN21	REAL300020212756	1	47	0.0	-54.65	344.60	6.68	-47.97
CC1=[NH+]C=C2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CN21	REAL300020212756	1	47	0.0	-54.63	344.65	6.68	-47.95
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212762	0	58	0.0	-65.31	419.47	10.08	-55.23
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212762	1	58	0.0	-61.67	419.26	10.06	-51.61
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212762	1	58	0.0	-65.28	419.54	10.09	-55.19
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212762	1	58	0.0	-61.67	419.30	10.07	-51.60
CCN1CCC([NH+]2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2)CC1	REAL300020212766	0	63	0.0	-59.55	427.07	6.65	-52.90
CCN1CCC([NH+]2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2)CC1	REAL300020212766	1	63	0.0	-59.54	427.12	6.65	-52.89
C[NH+](C)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212804	0	47	0.0	-70.16	356.22	5.96	-64.20
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212815	1	40	0.0	-66.76	312.56	7.50	-59.26
C[NH+](C)CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212978	0	51	0.0	-74.78	378.99	8.07	-66.71
C[NH+](C)CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212978	1	51	0.0	-74.73	378.99	8.09	-66.64
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213009	1	48	0.0	-67.52	359.55	6.53	-60.99
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C1N2	REAL300020213069	1	53	0.0	-77.95	395.71	7.85	-70.10
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C1N2	REAL300020213069	1	53	0.0	-70.30	390.27	7.49	-62.81
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213136	0	53	0.0	-66.01	380.02	7.83	-58.18
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213136	1	53	0.0	-66.03	380.07	7.83	-58.20
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213143	0	52	0.0	-59.47	379.04	8.49	-50.98
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213143	1	52	0.0	-54.21	380.18	8.48	-45.73
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213143	1	52	0.0	-59.46	379.10	8.49	-50.97
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213143	1	52	0.0	-54.19	380.23	8.48	-45.71
CC(C)[NH+]1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213157	0	51	0.0	-59.54	355.10	6.79	-52.75
CC(C)[NH+]1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213157	1	51	0.0	-59.60	355.15	6.80	-52.80
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213243	0	52	0.0	-70.34	374.93	7.10	-63.24
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213243	1	52	0.0	-70.33	375.00	7.11	-63.22
CC(C)[NH+]1CCN(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213251	0	56	0.0	-68.18	397.82	5.10	-63.08
CC(C)[NH+]1CCN(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213251	1	56	0.0	-68.18	397.88	5.12	-63.06
CC(C)[NH+]1CCN(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213254	0	59	0.0	-65.64	415.03	5.39	-60.25
CC(C)[NH+]1CCN(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213254	1	59	0.0	-65.65	415.09	5.39	-60.26
C[NH+](C)CCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020213279	0	48	0.0	-73.81	361.58	5.02	-68.79
C[NH+](C)CCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020213279	1	48	0.0	-73.81	361.54	5.00	-68.81
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213298	0	55	0.0	-73.11	402.17	9.30	-63.81
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213298	1	55	0.0	-73.11	402.21	9.31	-63.80
C[NH+](C)CCN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213384	0	48	0.0	-81.69	360.77	5.92	-75.77
C[NH+](C)CCN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213384	1	48	0.0	-81.73	360.72	5.91	-75.82
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213385	0	48	0.0	-43.59	358.11	5.24	-38.35
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213385	1	48	0.0	-43.61	357.99	5.22	-38.39
CC[C@@H]1[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC[N@@H+]1C	REAL300020213392	0	48	0.0	-55.82	332.06	5.68	-50.14
CC[C@@H]1[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC[N@H+]1C	REAL300020213392	1	48	0.0	-61.64	335.32	6.23	-55.41
CC[C@@H]1[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC[N@@H+]1C	REAL300020213392	1	48	0.0	-55.87	332.12	5.69	-50.18
CC[C@@H]1[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC[N@H+]1C	REAL300020213392	1	48	0.0	-61.65	335.38	6.25	-55.40
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213446	0	48	0.0	-69.64	352.97	4.22	-65.42
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213446	1	48	0.0	-69.62	352.90	4.20	-65.42
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213486	0	48	0.0	-46.47	304.93	5.66	-40.81
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213486	1	48	0.0	-50.29	313.11	5.45	-44.84
O=C(N1CCCCC1CC1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL300020213524	0	46	0.0	-61.37	312.03	5.02	-56.35
O=C(N1CCCCC1CC1=N[N-]N=N1)C12CC[N@@H+](C1)CCC2	REAL300020213524	1	46	0.0	-67.25	310.32	4.86	-62.39
O=C(N1CCCCC1CC1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL300020213524	1	46	0.0	-61.31	312.08	5.03	-56.28
O=C(N1CCCCC1CC1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL300020213524	1	46	0.0	-67.27	310.37	4.86	-62.41
C[N@H+](CC(=O)N1CCCCC1CC1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300020214568	0	49	0.0	-47.62	349.51	3.59	-44.03
C[N@@H+](CC(=O)N1CCCCC1CC1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300020214568	1	49	0.0	-49.92	348.08	3.46	-46.46
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)CC1	REAL300020214569	1	54	0.0	-74.21	408.43	5.89	-68.32
O=C(C[NH+]1CCC(CO)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214605	0	49	0.0	-48.97	348.82	3.41	-45.56
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214612	0	48	0.0	-72.14	331.85	2.46	-69.68
CC1CN2CC[N@H+]1CC2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214612	1	48	0.0	-69.75	331.83	2.48	-67.27
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214612	1	48	0.0	-72.20	331.91	2.48	-69.72
CC1CN2CC[N@H+]1CC2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214612	1	48	0.0	-69.79	331.89	2.49	-67.30
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214637	0	58	0.0	-73.12	437.61	8.58	-64.54
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214637	1	58	0.0	-73.08	437.67	8.59	-64.49
CC(C)C[NH+]1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020214646	0	54	0.0	-64.43	378.09	7.78	-56.65
CC(C)C[NH+]1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020214646	1	54	0.0	-64.43	378.14	7.78	-56.65
CC1CC2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C[N@@H+]2C1	REAL300020214673	0	52	0.0	-56.37	364.31	7.30	-49.07
CC1CC2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C[N@H+]2C1	REAL300020214673	1	52	0.0	-51.46	363.57	7.24	-44.22
CC1CC2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C[N@@H+]2C1	REAL300020214673	1	52	0.0	-56.32	364.36	7.30	-49.02
CC1CC2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C[N@H+]2C1	REAL300020214673	1	52	0.0	-51.46	363.63	7.25	-44.21
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214678	0	52	0.0	-63.02	344.01	6.82	-56.20
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214678	1	52	0.0	-47.55	346.22	7.48	-40.07
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214678	1	52	0.0	-63.06	344.05	6.83	-56.23
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214678	1	52	0.0	-47.54	346.27	7.48	-40.06
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214729	0	55	0.0	-72.98	403.68	8.63	-64.35
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214729	1	55	0.0	-60.51	394.94	9.37	-51.14
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214729	1	55	0.0	-72.97	403.74	8.64	-64.33
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214729	1	55	0.0	-60.51	394.98	9.38	-51.13
CC(C)[N@@H+]1CCCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214742	0	48	0.0	-59.19	338.13	5.65	-53.54
CC(C)[N@H+]1CCCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214742	1	48	0.0	-46.87	334.80	6.04	-40.83
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214755	0	56	0.0	-75.24	420.20	8.60	-66.64
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214755	1	56	0.0	-75.26	420.26	8.60	-66.66
C[NH+]1CCC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020214797	0	49	0.0	-74.89	363.49	5.78	-69.11
C[NH+]1CCC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020214797	1	49	0.0	-74.86	363.55	5.80	-69.06
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214807	1	52	0.0	-71.17	381.17	7.72	-63.45
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215098	0	52	0.0	-59.47	379.04	8.49	-50.98
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215098	1	52	0.0	-54.21	380.18	8.48	-45.73
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215098	1	52	0.0	-59.46	379.10	8.49	-50.97
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215098	1	52	0.0	-54.19	380.23	8.48	-45.71
C[N@H+]1CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020215151	0	46	0.0	-64.73	342.51	6.13	-58.60
C[N@@H+]1CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020215151	1	46	0.0	-61.89	341.61	6.24	-55.65
C[N@H+]1CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020215151	1	46	0.0	-64.73	342.57	6.13	-58.60
C[N@@H+]1CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020215151	1	46	0.0	-61.91	341.68	6.25	-55.66
O=C(C1CC[N@@H+]2CCOCC12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215299	0	47	0.0	-53.06	325.63	4.13	-48.93
O=C(C1CC[N@H+]2CCOCC12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215299	1	47	0.0	-55.44	328.85	4.34	-51.10
O=C(C1CC[N@@H+]2CCOCC12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215299	1	47	0.0	-53.01	325.70	4.15	-48.86
O=C(C1CC[N@H+]2CCOCC12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215299	1	47	0.0	-55.41	328.91	4.35	-51.06
C[N@@H+]1CCC2=NC(SCCC3=N[N-]N=N3)=C(C#N)C=C2C1	REAL300020219542	0	36	0.0	-72.05	315.32	5.79	-66.26
C[N@H+]1CCC2=NC(SCCC3=N[N-]N=N3)=C(C#N)C=C2C1	REAL300020219542	1	36	0.0	-72.00	315.34	5.79	-66.21
C[N@@H+]1CCC2=NC(SCCC3=NN=N[N-]3)=C(C#N)C=C2C1	REAL300020219542	1	36	0.0	-72.06	315.38	5.81	-66.25
C[N@H+]1CCC2=NC(SCCC3=NN=N[N-]3)=C(C#N)C=C2C1	REAL300020219542	1	36	0.0	-71.99	315.40	5.81	-66.18
CC(C)(C)C1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C(C)(C)C)=[NH+]1	REAL300020219737	1	51	0.0	-45.19	383.12	6.86	-38.33
CC(C)C1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C(C)C)=[NH+]1	REAL300020219741	1	45	0.0	-46.46	346.92	5.61	-40.85
CC(C)C1=NC(N2CCC(C3=NN=N[N-]3)C2)=CC(C(C)(C)C)=[NH+]1	REAL300020219762	1	48	0.0	-46.67	362.75	6.36	-40.31
CC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=C(Br)C=C2)=[NH+]1	REAL300020219877	1	40	0.0	-55.00	345.04	7.16	-47.84
CO[C@H]1C[C@@H](C[NH+](C)C)N(C2=CC(N3CCC(C4=N[N-]N=N4)C3)=NC=N2)C1	REAL300020219893	0	54	0.0	-60.72	400.01	4.11	-56.61
CO[C@H]1C[C@@H](C[NH+](C)C)N(C2=CC(N3CCC(C4=NN=N[N-]4)C3)=NC=N2)C1	REAL300020219893	1	54	0.0	-60.72	400.08	4.12	-56.60
NC1=NC(NC2=CC=CC=C2)=NC(N2CCC(C3=NN=N[N-]3)C2)=[NH+]1	REAL300020219955	0	40	0.0	-46.39	327.80	8.28	-38.11
C[N@@H+]1CCC2=NC(N3CCC(C4=N[N-]N=N4)C3)=C(C#N)C=C2C1	REAL300020220001	0	41	0.0	-78.94	322.20	3.93	-75.01
C[N@H+]1CCC2=NC(N3CCC(C4=N[N-]N=N4)C3)=C(C#N)C=C2C1	REAL300020220001	1	41	0.0	-75.50	324.67	5.04	-70.46
C[N@@H+]1CCC2=NC(N3CCC(C4=NN=N[N-]4)C3)=C(C#N)C=C2C1	REAL300020220001	1	41	0.0	-78.93	322.27	3.93	-75.00
C[N@H+]1CCC2=NC(N3CCC(C4=NN=N[N-]4)C3)=C(C#N)C=C2C1	REAL300020220001	1	41	0.0	-75.55	324.75	5.06	-70.49
CC1=CC(C)=C(C(F)(F)F)C(N2CCC(C3=NN=N[N-]3)C2)=[NH+]1	REAL300020220048	0	37	0.0	-51.20	305.21	5.96	-45.24
C1=CC=C(CCC2=[NH+]C=CC(N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020220067	1	43	0.0	-53.26	348.31	6.54	-46.72
O=S(=O)(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220326	0	47	0.0	-74.27	377.93	4.65	-69.62
O=S(=O)(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220326	1	47	0.0	-60.89	377.94	4.60	-56.29
O=S(=O)(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220326	1	47	0.0	-74.30	378.00	4.66	-69.64
O=S(=O)(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220326	1	47	0.0	-60.90	378.01	4.61	-56.29
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220745	0	43	0.0	-71.28	354.87	3.57	-67.71
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220745	1	43	0.0	-71.25	354.94	3.59	-67.66
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220767	0	49	0.0	-71.89	392.07	2.89	-69.00
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220767	1	49	0.0	-71.86	392.14	2.91	-68.95
O=S(=O)(CCC[NH+]1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220895	0	43	0.0	-69.90	345.78	2.65	-67.25
O=S(=O)(CCC[NH+]1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220895	1	43	0.0	-69.91	345.85	2.65	-67.26
C[NH+]1CCN(CCCS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220896	0	48	0.0	-67.95	377.14	0.75	-67.20
C[NH+]1CCN(CCCS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220896	1	48	0.0	-68.04	377.22	0.76	-67.28
C[NH+](C)C1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020221036	1	40	0.0	-54.93	314.74	2.08	-52.85
C[NH+](C)C1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020221036	1	40	0.0	-54.95	314.81	2.09	-52.86
O=S(=O)(CC12CC[N@H+](C1)CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221202	0	44	0.0	-71.44	332.25	2.30	-69.14
O=S(=O)(CC12CC[N@@H+](C1)CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221202	1	44	0.0	-64.47	332.28	2.28	-62.19
O=S(=O)(CC12CC[N@H+](C1)CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221202	1	44	0.0	-71.45	332.33	2.32	-69.13
O=S(=O)(CC12CC[N@@H+](C1)CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221202	1	44	0.0	-64.48	332.35	2.28	-62.20
C[NH+](C)CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020221796	0	47	0.0	-80.33	381.52	6.70	-73.63
C[NH+](C)CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020221796	1	47	0.0	-80.36	381.47	6.67	-73.69
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC[N@H+]1C(C)C	REAL300020221850	0	46	0.0	-67.76	355.45	6.40	-61.36
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC[N@@H+]1C(C)C	REAL300020221850	1	46	0.0	-60.06	356.33	6.43	-53.63
C[NH+](C)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020221907	0	47	0.0	-59.38	362.55	6.19	-53.19
C[NH+](C)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020221907	1	47	0.0	-59.38	362.61	6.21	-53.17
C[NH+](C)CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020221995	0	44	0.0	-77.80	347.17	5.27	-72.53
C[NH+](C)CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020221995	1	44	0.0	-77.82	347.23	5.29	-72.53
CSCC[C@H](NC(=O)NC1=CC=CC(C[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300020222054	0	47	0.0	-70.82	390.42	5.27	-65.55
CSCC[C@H](NC(=O)NC1=CC=CC(C[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300020222054	1	47	0.0	-70.80	390.47	5.28	-65.52
C[NH+](C)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222154	0	44	0.0	-73.00	348.26	5.35	-67.65
C[NH+](C)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222154	1	44	0.0	-73.00	348.34	5.36	-67.64
C[NH+](C)CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020222244	0	50	0.0	-52.27	376.89	6.38	-45.89
C[NH+](C)CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020222244	1	50	0.0	-52.24	376.94	6.40	-45.84
CC(C(=O)NC1=CC=C(C(C)(C)C)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222269	1	51	0.0	-54.39	384.44	6.81	-47.58
CC(C(=O)NC1=CC=C(C(C)(C)C)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222269	1	51	0.0	-54.48	384.42	6.83	-47.65
CN(CCOC1=CC=C(Cl)C=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222270	1	46	0.0	-47.34	381.14	6.44	-40.90
CN(CCOC1=CC=C(Cl)C=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222270	1	46	0.0	-49.04	379.26	6.44	-42.60
CN(CC1=CC=CC=C1F)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222271	1	42	0.0	-46.45	334.00	6.30	-40.15
CN(CC1=CC=CC=C1F)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222271	1	42	0.0	-51.37	333.04	6.25	-45.12
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC2CCCCC21	REAL300020222273	1	49	0.0	-47.98	350.43	6.52	-41.46
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC2CCCCC21	REAL300020222273	1	49	0.0	-48.02	350.42	6.54	-41.48
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(CC2=CC=CC=C2)CC1	REAL300020222274	0	52	0.0	-46.03	393.27	8.52	-37.51
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(CC2=CC=CC=C2)CC1	REAL300020222274	1	52	0.0	-49.36	392.57	8.43	-40.93
CC1CC2=CC=CC=C2N1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222275	1	43	0.0	-45.68	329.13	6.61	-39.07
CC1CC2=CC=CC=C2N1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222275	1	43	0.0	-43.12	329.95	6.59	-36.53
COC1=CC=C(CN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020222276	0	50	0.0	-49.24	386.31	6.82	-42.42
COC1=CC=C(CN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020222276	1	50	0.0	-53.05	384.96	6.95	-46.10
CCCN(CC1=CC=C(C)C=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222277	1	51	0.0	-47.58	396.83	8.59	-38.99
CCCN(CC1=CC=C(C)C=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222277	1	51	0.0	-47.48	396.75	8.59	-38.89
CCN(CC1=CC=CC(F)=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222278	1	45	0.0	-50.63	360.34	7.23	-43.40
CCN(CC1=CC=CC(F)=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222278	1	45	0.0	-46.48	360.95	7.28	-39.20
CCCCN(CCCC)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222279	1	50	0.0	-48.21	376.81	7.07	-41.14
CCCCN(CCCC)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222279	1	50	0.0	-44.60	381.61	7.29	-37.31
COC1=CC2=C(C=C1OC)CN(C(=O)C[N@@H+]1CCC(C3=NN=N[N-]3)C1)CC2	REAL300020222280	1	51	0.0	-52.56	392.36	5.58	-46.98
COC1=CC2=C(C=C1OC)CN(C(=O)C[N@H+]1CCC(C3=NN=N[N-]3)C1)CC2	REAL300020222280	1	51	0.0	-51.50	392.16	5.58	-45.92
CCN(CC(=O)NCC1=CC=CS1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222281	1	49	0.0	-49.15	405.10	4.97	-44.18
CCN(CC(=O)NCC1=CC=CS1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222281	1	49	0.0	-47.47	405.78	5.04	-42.43
CCN(CC1COC2=CC=CC=C2O1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222283	1	51	0.0	-50.56	396.65	6.84	-43.72
CCN(CC1COC2=CC=CC=C2O1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222283	1	51	0.0	-47.78	397.54	6.85	-40.93
CCOC(=O)C1CCCCN1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222284	1	48	0.0	-52.64	365.84	6.63	-46.01
CCOC(=O)C1CCCCN1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222284	1	48	0.0	-55.62	365.75	6.68	-48.94
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2CCS(=O)(=O)C2)CC1	REAL300020222287	1	51	0.0	-58.07	391.40	0.52	-57.55
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2CCS(=O)(=O)C2)CC1	REAL300020222287	1	51	0.0	-57.02	391.40	0.52	-56.50
CC(C)CCCC(C)NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222288	1	50	0.0	-49.09	380.25	5.78	-43.31
CC(C)CCCC(C)NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222288	1	50	0.0	-48.98	380.14	5.78	-43.20
BrC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222289	0	36	0.0	-49.73	306.19	6.09	-43.64
BrC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222289	1	36	0.0	-48.92	309.44	6.01	-42.91
CCOC(=O)CCCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222290	1	44	0.0	-49.40	356.12	3.63	-45.77
CCOC(=O)CCCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222290	1	44	0.0	-49.44	356.56	3.62	-45.82
CCCC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222293	0	51	0.0	-53.07	386.79	6.83	-46.24
CCCC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222293	1	51	0.0	-46.38	386.43	6.91	-39.47
CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222294	0	57	0.0	-48.67	422.46	2.52	-46.15
CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222294	1	57	0.0	-48.21	422.58	2.54	-45.67
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(CC1=CC=CC=C1)C1=CC=CC=C1	REAL300020222296	1	52	0.0	-51.95	415.16	9.19	-42.76
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(CC1=CC=CC=C1)C1=CC=CC=C1	REAL300020222296	1	52	0.0	-51.80	415.15	9.20	-42.60
COC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020222297	1	46	0.0	-54.68	369.54	5.60	-49.08
COC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020222297	1	46	0.0	-50.21	370.20	5.60	-44.61
CCC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222298	0	44	0.0	-42.82	366.83	7.81	-35.01
CCC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222298	1	44	0.0	-45.44	366.96	8.01	-37.43
CC1CCC(N(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222300	1	48	0.0	-48.62	341.93	6.21	-42.41
CC1CCC(N(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222300	1	48	0.0	-44.19	354.43	6.21	-37.98
CCCOC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222302	0	46	0.0	-49.46	358.45	6.52	-42.94
CCCOC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222302	1	46	0.0	-48.38	360.99	6.39	-41.99
CN(CC1=CC=C(OC(F)F)C=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222303	1	46	0.0	-52.61	373.29	5.82	-46.79
CN(CC1=CC=C(OC(F)F)C=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222303	1	46	0.0	-52.47	373.14	5.82	-46.65
COC1=CC=C([N+](=O)[O-])C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222304	0	38	0.0	-51.27	314.15	5.70	-45.57
COC1=CC=C([N+](=O)[O-])C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222304	1	38	0.0	-50.67	315.99	5.64	-45.03
BrC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222305	0	32	0.0	-46.62	279.38	6.18	-40.44
BrC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222305	1	32	0.0	-46.57	276.73	6.16	-40.41
CC(C)CC1=CC=C(C(C)NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222306	1	54	0.0	-49.98	415.45	7.70	-42.28
CC(C)CC1=CC=C(C(C)NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222306	1	54	0.0	-49.97	415.36	7.70	-42.27
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(Cl)C=C1	REAL300020222308	1	42	0.0	-53.48	355.09	5.46	-48.02
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(Cl)C=C1	REAL300020222308	1	42	0.0	-49.03	355.88	5.44	-43.59
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CCCCC1	REAL300020222309	1	46	0.0	-49.99	354.22	5.17	-44.82
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CCCCC1	REAL300020222309	1	46	0.0	-49.88	354.00	5.14	-44.74
CCC1=CC=C(C(C)NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222310	1	48	0.0	-50.28	377.19	6.46	-43.82
CCC1=CC=C(C(C)NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222310	1	48	0.0	-50.17	377.10	6.46	-43.71
CC1=CC=C(C(C)NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222311	1	48	0.0	-49.80	372.67	6.22	-43.58
CC1=CC=C(C(C)NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222311	1	48	0.0	-47.15	373.37	6.28	-40.87
ClC1=CC=C(Cl)C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222313	0	36	0.0	-48.75	318.53	6.58	-42.17
ClC1=CC=C(Cl)C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222313	1	36	0.0	-46.30	320.53	6.38	-39.92
ClC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCCO2	REAL300020222314	0	38	0.0	-49.87	318.91	5.25	-44.62
ClC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCCO2	REAL300020222314	1	38	0.0	-50.42	315.88	5.25	-45.17
ClC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020222319	1	36	0.0	-51.05	322.92	6.68	-44.37
ClC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020222319	1	36	0.0	-53.31	324.48	6.47	-46.84
CN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222320	1	42	0.0	-50.42	365.97	7.21	-43.21
CN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222320	1	42	0.0	-47.28	366.41	7.19	-40.09
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CS2)CC1	REAL300020222324	1	48	0.0	-46.73	378.92	4.65	-42.08
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CS2)CC1	REAL300020222324	1	48	0.0	-46.40	379.02	4.66	-41.74
CC1=CC=CC(CN2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020222325	1	54	0.0	-45.38	409.26	5.97	-39.41
CC1=CC=CC(CN2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020222325	1	54	0.0	-46.40	409.76	6.22	-40.18
CC1=C(Cl)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NC2=CC=CC=C21	REAL300020222326	0	40	0.0	-40.74	322.58	6.50	-34.24
CC1=C(Cl)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NC2=CC=CC=C21	REAL300020222326	1	40	0.0	-40.80	328.99	6.93	-33.87
COC(=O)C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N(C)C(=O)NC1C1=CC=CC=C1	REAL300020222327	1	52	0.0	-44.88	393.97	6.13	-38.75
COC(=O)C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N(C)C(=O)NC1C1=CC=CC=C1	REAL300020222327	1	52	0.0	-49.64	392.76	6.27	-43.37
FC1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222328	0	38	0.0	-51.36	321.58	4.10	-47.26
FC1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222328	1	38	0.0	-46.79	322.37	4.18	-42.61
FC1=CC=C(OCC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222329	1	42	0.0	-49.61	360.61	5.96	-43.65
FC1=CC=C(OCC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222329	1	42	0.0	-47.55	361.27	6.11	-41.44
CC(C(=O)N1CC(C)CC(C)C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222330	0	48	0.0	-40.21	353.93	5.82	-34.39
CC(C(=O)N1CC(C)CC(C)C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222330	1	48	0.0	-45.48	354.06	5.83	-39.65
CC(C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222331	0	53	0.0	-42.10	369.90	6.07	-36.03
CC(C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222331	1	53	0.0	-53.44	369.65	5.96	-47.48
CC(C(=O)N1CCC2=CC=CC=C21)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222333	0	43	0.0	-50.11	333.55	6.59	-43.52
CC(C(=O)N1CCC2=CC=CC=C21)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222333	1	43	0.0	-49.48	331.97	6.54	-42.94
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222334	0	45	0.0	-43.08	351.49	5.53	-37.55
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222334	1	45	0.0	-54.16	351.26	5.52	-48.64
CCC(C)C1=CC=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222335	1	51	0.0	-49.56	381.93	7.32	-42.24
CCC(C)C1=CC=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222335	1	51	0.0	-54.31	382.48	7.28	-47.03
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CC2CCC1C2	REAL300020222336	0	52	0.0	-52.18	377.39	6.05	-46.13
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CC2CCC1C2	REAL300020222336	1	52	0.0	-45.95	377.79	6.26	-39.69
CCN(C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020222337	0	51	0.0	-39.60	366.28	6.67	-32.93
CCN(C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020222337	1	51	0.0	-39.67	364.75	6.62	-33.05
CC(C(=O)N1C(C)CCCC1C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222338	0	48	0.0	-52.15	332.20	5.38	-46.77
CC(C(=O)N1C(C)CCCC1C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222338	1	48	0.0	-47.59	337.86	5.70	-41.89
CCN1C(=O)NC(=O)C(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020222340	1	42	0.0	-47.44	332.21	1.98	-45.46
CCN1C(=O)NC(=O)C(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020222340	1	42	0.0	-46.47	331.34	1.88	-44.59
CC(C(=O)N1CCCC2=CC=CC=C21)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222343	0	46	0.0	-57.76	343.61	6.93	-50.83
CC(C(=O)N1CCCC2=CC=CC=C21)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222343	1	46	0.0	-43.83	342.57	6.91	-36.92
CC(C)(C)C1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222344	0	52	0.0	-49.19	396.27	5.29	-43.90
CC(C)(C)C1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222344	1	52	0.0	-51.17	396.03	5.32	-45.85
OC(COC1=CC=CC=C1F)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222345	0	40	0.0	-54.54	323.91	3.24	-51.30
OC(COC1=CC=CC=C1F)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222345	1	40	0.0	-54.67	326.09	3.07	-51.60
CC1=CC=CC(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222346	0	43	0.0	-51.36	339.09	3.84	-47.52
CC1=CC=CC(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222346	1	43	0.0	-51.92	337.41	3.97	-47.95
CC1=CC=CC=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222347	0	43	0.0	-51.25	339.89	3.71	-47.54
CC1=CC=CC=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222347	1	43	0.0	-51.75	336.08	4.05	-47.70
CC1=CC=CC(C)=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222348	0	46	0.0	-50.26	361.64	4.51	-45.75
CC1=CC=CC(C)=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222348	1	46	0.0	-50.74	357.80	4.82	-45.92
OC(COC1=CC=CC(Br)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222349	0	40	0.0	-53.31	338.98	3.79	-49.52
OC(COC1=CC=CC(Br)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222349	1	40	0.0	-53.73	337.30	3.92	-49.81
CC1=CC=CC(C)=C1NC(=O)CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222350	0	48	0.0	-53.52	371.65	7.03	-46.49
CC1=CC=CC(C)=C1NC(=O)CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222350	1	48	0.0	-53.52	371.64	6.99	-46.53
CC1=CC=CC(C)=C1NC(=O)CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222350	1	48	0.0	-53.47	371.58	7.02	-46.45
CC1=CC=CC(C)=C1NC(=O)CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222350	1	48	0.0	-53.45	371.55	6.98	-46.47
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=NN1C1=CC=CC=C1	REAL300020222351	0	49	0.0	-47.35	395.20	10.31	-37.04
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=NN1C1=CC=CC=C1	REAL300020222351	1	49	0.0	-46.60	393.50	10.17	-36.43
OC(COC1=CC=C(Cl)C=C1Cl)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222352	0	40	0.0	-54.26	350.44	4.23	-50.03
OC(COC1=CC=C(Cl)C=C1Cl)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222352	1	40	0.0	-54.59	352.62	4.07	-50.52
OC(COC1=CC=CC2=CC=CC=C21)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222353	0	46	0.0	-53.14	364.79	5.32	-47.82
OC(COC1=CC=CC2=CC=CC=C21)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222353	1	46	0.0	-53.45	364.90	5.32	-48.13
OC(COC1=CC=C(C2=CC=CC=C2)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222354	0	50	0.0	-51.50	394.26	6.39	-45.11
OC(COC1=CC=C(C2=CC=CC=C2)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222354	1	50	0.0	-53.60	394.02	6.42	-47.18
OC(COC1=CC2=CC=CC=C2C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222355	0	46	0.0	-53.71	365.83	5.25	-48.46
OC(COC1=CC2=CC=CC=C2C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222355	1	46	0.0	-53.96	365.88	5.28	-48.68
OC(COCC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222356	0	43	0.0	-50.22	343.42	3.64	-46.58
OC(COCC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222356	1	43	0.0	-50.62	341.55	3.77	-46.85
OC(COCC1=CC=CC=C1F)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222357	0	43	0.0	-50.09	349.08	3.65	-46.44
OC(COCC1=CC=CC=C1F)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222357	1	43	0.0	-50.75	345.27	3.99	-46.76
OC(COCC1=CC=CC=C1Cl)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222358	0	43	0.0	-49.55	358.53	4.07	-45.48
OC(COCC1=CC=CC=C1Cl)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222358	1	43	0.0	-50.20	354.72	4.41	-45.79
OC(COCC1=CC=C(Cl)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222359	0	43	0.0	-51.12	359.97	4.16	-46.96
OC(COCC1=CC=C(Cl)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222359	1	43	0.0	-50.14	362.89	4.02	-46.12
OC(COC(C1=CC=CC=C1)C1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222360	0	53	0.0	-49.94	423.70	7.33	-42.61
OC(COC(C1=CC=CC=C1)C1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222360	1	53	0.0	-50.25	423.80	7.34	-42.91
OC(COCC1=CC=CS1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222361	0	40	0.0	-50.44	333.65	2.72	-47.72
OC(COCC1=CC=CS1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222361	1	40	0.0	-50.68	331.79	2.85	-47.83
CC1(C)C2CC1C(COCC(O)C[N@@H+]1CCC(C3=NN=N[N-]3)C1)=CC2	REAL300020222362	0	54	0.0	-48.54	399.26	5.19	-43.35
CC1(C)C2CC1C(COCC(O)C[N@H+]1CCC(C3=NN=N[N-]3)C1)=CC2	REAL300020222362	1	54	0.0	-47.19	399.35	5.17	-42.02
COC1=CC=C(COCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222363	0	47	0.0	-51.85	372.74	2.94	-48.91
COC1=CC=C(COCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222363	1	47	0.0	-50.91	375.66	2.80	-48.11
COC1=CC=CC=C1COCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222364	0	47	0.0	-50.28	370.09	3.14	-47.14
COC1=CC=CC=C1COCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222364	1	47	0.0	-50.83	368.22	3.27	-47.56
COC1=CC=CC(COCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222365	0	47	0.0	-52.28	374.83	2.77	-49.51
COC1=CC=CC(COCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222365	1	47	0.0	-52.30	374.93	2.77	-49.53
CC1=CC=C(C)C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222366	0	49	0.0	-49.99	378.78	5.33	-44.66
CC1=CC=C(C)C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222366	1	49	0.0	-50.58	379.37	5.08	-45.50
ClC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC2=CC=CC=C21	REAL300020222368	0	35	0.0	-43.15	305.37	7.33	-35.82
ClC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)SC2=CC=CC=C21	REAL300020222368	1	35	0.0	-43.78	310.64	7.55	-36.23
CCC(C(=O)NC1=CC=C(F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222369	0	42	0.0	-58.67	330.87	5.36	-53.31
CCC(C(=O)NC1=CC=C(F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222369	1	42	0.0	-48.76	329.74	5.35	-43.41
CCC(C(=O)NC1=CC=C(OC)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222370	0	46	0.0	-57.58	353.97	4.59	-52.99
CCC(C(=O)NC1=CC=C(OC)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222370	1	46	0.0	-48.25	352.84	4.59	-43.66
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300020222372	0	42	0.0	-60.33	347.42	5.82	-54.51
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300020222372	1	42	0.0	-60.16	347.68	5.75	-54.41
CC1=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020222373	1	53	0.0	-67.97	420.47	6.09	-61.88
CC1=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020222373	1	53	0.0	-66.15	421.74	5.95	-60.20
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)NCC1=CC=CC=C1	REAL300020222375	0	46	0.0	-64.82	375.10	4.97	-59.85
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)NCC1=CC=CC=C1	REAL300020222375	1	46	0.0	-61.49	375.25	4.95	-56.54
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)NCC1=CC=CC=C1	REAL300020222375	1	46	0.0	-64.73	375.03	4.95	-59.78
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)NCC1=CC=CC=C1	REAL300020222375	1	46	0.0	-61.49	375.19	4.94	-56.55
CC1=CC=CC(C)=C1NC(=O)CNC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222376	1	52	0.0	-53.38	403.45	4.64	-48.74
CC1=CC=CC(C)=C1NC(=O)CNC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222376	1	52	0.0	-46.56	403.70	4.64	-41.92
CC(C(=O)NCC1=CC=C(F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222377	0	42	0.0	-44.66	340.42	4.74	-39.92
CC(C(=O)NCC1=CC=C(F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222377	1	42	0.0	-44.82	340.57	4.73	-40.09
CCN(CC)C(=O)C(C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222378	0	48	0.0	-46.02	365.37	7.36	-38.66
CCN(CC)C(=O)C(C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222378	1	48	0.0	-44.54	368.02	7.38	-37.16
ClC1=CC=C(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222379	0	36	0.0	-51.45	315.48	7.38	-44.07
ClC1=CC=C(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222379	1	36	0.0	-52.26	316.23	7.45	-44.81
ClC1=CC=C(SCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222379	1	36	0.0	-51.44	315.41	7.36	-44.08
ClC1=CC=C(SCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222379	1	36	0.0	-52.27	316.16	7.44	-44.83
ClC1=CC=C(Cl)C(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222380	0	36	0.0	-51.33	331.28	7.90	-43.43
ClC1=CC=C(Cl)C(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222380	1	36	0.0	-50.71	330.98	7.81	-42.90
CC(=O)N1CCN(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222383	0	46	0.0	-50.77	347.60	3.55	-47.22
CC(=O)N1CCN(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222383	1	46	0.0	-65.79	343.82	3.40	-62.39
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2CCCC2=C1	REAL300020222386	1	43	0.0	-52.62	336.54	5.93	-46.69
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2CCCC2=C1	REAL300020222386	1	43	0.0	-48.92	337.19	6.01	-42.91
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(C1=CC=CC=C1)C1CCCCC1	REAL300020222387	1	52	0.0	-43.55	392.11	8.89	-34.66
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(C1=CC=CC=C1)C1CCCCC1	REAL300020222387	1	52	0.0	-42.35	391.90	8.87	-33.48
FC(F)N1C2=CC=CC=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222389	1	38	0.0	-45.63	313.34	5.83	-39.80
FC(F)N1C2=CC=CC=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222389	1	38	0.0	-46.48	311.45	5.93	-40.55
CC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222390	0	41	0.0	-43.01	345.35	7.05	-35.96
CC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222390	1	41	0.0	-45.54	343.64	7.40	-38.14
CCN(C1=CC=C(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020222391	1	53	0.0	-47.37	397.22	6.61	-40.76
CCN(C1=CC=C(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020222391	1	53	0.0	-47.22	397.59	6.61	-40.61
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Br)=C1	REAL300020222392	0	36	0.0	-50.57	307.48	4.03	-46.54
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Br)=C1	REAL300020222392	1	36	0.0	-50.45	308.26	3.95	-46.50
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CC=C2)CC1	REAL300020222393	1	51	0.0	-46.54	388.19	5.51	-41.03
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CC=C2)CC1	REAL300020222393	1	51	0.0	-45.99	387.60	5.36	-40.63
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)S1	REAL300020222394	0	38	0.0	-43.25	323.95	6.37	-36.88
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)S1	REAL300020222394	1	38	0.0	-44.77	323.15	6.54	-38.23
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(NC2=CC=CC=C2)S1	REAL300020222395	1	40	0.0	-42.78	334.77	5.91	-36.87
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(NC2=CC=CC=C2)S1	REAL300020222395	1	40	0.0	-45.19	334.76	6.10	-39.09
CC1=CC=CC=C1NC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222396	1	43	0.0	-42.76	352.92	6.65	-36.11
CC1=CC=CC=C1NC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222396	1	43	0.0	-45.04	351.20	7.00	-38.04
ClC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222397	0	38	0.0	-44.09	340.67	6.89	-37.20
ClC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222397	1	38	0.0	-46.71	340.80	7.09	-39.62
COC1=CC=CC=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222398	1	42	0.0	-44.49	350.12	6.01	-38.48
COC1=CC=CC=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222398	1	42	0.0	-45.43	348.63	6.27	-39.16
CCOC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1OC	REAL300020222399	0	49	0.0	-47.24	404.45	6.51	-40.73
CCOC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1OC	REAL300020222399	1	49	0.0	-49.56	402.75	6.86	-42.70
COC1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222400	0	42	0.0	-48.33	352.00	5.67	-42.66
COC1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222400	1	42	0.0	-45.47	353.13	5.79	-39.68
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)NC1=CC=CC=C1	REAL300020222401	0	43	0.0	-69.60	349.64	4.70	-64.90
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)NC1=CC=CC=C1	REAL300020222401	1	43	0.0	-69.98	349.81	4.81	-65.17
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)NC1=CC=CC=C1	REAL300020222401	1	43	0.0	-69.58	349.57	4.69	-64.89
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)NC1=CC=CC=C1	REAL300020222401	1	43	0.0	-69.96	349.73	4.81	-65.15
COC(=O)C1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222402	0	50	0.0	-59.14	401.61	3.76	-55.38
COC(=O)C1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222402	1	50	0.0	-59.44	403.79	3.60	-55.84
CCOC(=O)C1=CC=CC(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222403	0	49	0.0	-58.03	394.33	4.76	-53.27
CCOC(=O)C1=CC=CC(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222403	1	49	0.0	-58.27	392.65	4.90	-53.37
ClC1=CC=C(C(C2=CC=CC=C2)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222404	0	42	0.0	-44.71	346.45	9.78	-34.93
ClC1=CC=C(C(C2=CC=CC=C2)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222404	1	42	0.0	-46.25	346.38	9.77	-36.48
CC(C(=O)N(C)C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222405	0	42	0.0	-43.72	325.56	6.05	-37.67
CC(C(=O)N(C)C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222405	1	42	0.0	-43.74	318.40	5.71	-38.03
N#CC1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCCC2	REAL300020222406	0	50	0.0	-53.93	399.52	7.15	-46.78
N#CC1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCCC2	REAL300020222406	1	50	0.0	-57.48	400.25	7.27	-50.21
CC1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222407	1	42	0.0	-51.45	329.76	5.32	-46.13
CC1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222407	1	42	0.0	-44.16	329.55	5.19	-38.97
COC1=CC=CC(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020222408	1	50	0.0	-47.94	388.28	5.55	-42.39
COC1=CC=CC(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020222408	1	50	0.0	-55.71	391.29	6.14	-49.57
CN(CC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222409	1	42	0.0	-48.61	340.72	6.35	-42.26
CN(CC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222409	1	42	0.0	-50.76	340.29	6.30	-44.46
FC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222411	0	38	0.0	-44.69	330.35	6.44	-38.25
FC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222411	1	38	0.0	-47.19	330.48	6.63	-40.56
CC1=CC=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222413	1	42	0.0	-48.15	325.59	5.42	-42.73
CC1=CC=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222413	1	42	0.0	-54.99	325.82	5.38	-49.61
CCOC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222415	0	45	0.0	-44.16	375.24	6.61	-37.55
CCOC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222415	1	45	0.0	-46.54	375.37	6.81	-39.73
CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222416	1	46	0.0	-50.18	384.52	5.56	-44.62
CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222416	1	46	0.0	-49.82	384.45	5.49	-44.33
CCOC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222417	1	49	0.0	-50.06	385.38	6.47	-43.59
CCOC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222417	1	49	0.0	-49.76	385.24	6.46	-43.30
CC1=CC=CC=C1CN(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222418	1	45	0.0	-46.83	344.09	6.51	-40.32
CC1=CC=CC=C1CN(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222418	1	45	0.0	-50.31	349.50	7.40	-42.91
CC(OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222419	0	46	0.0	-50.60	381.11	4.79	-45.81
CC(OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222419	1	46	0.0	-51.19	377.53	5.06	-46.13
OC(COC1=CC(Cl)=CC=C1Cl)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222420	0	40	0.0	-52.16	352.57	4.04	-48.12
OC(COC1=CC(Cl)=CC=C1Cl)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222420	1	40	0.0	-52.46	352.62	4.07	-48.39
CC1=CC(C(C)(C)C)=CC=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222421	0	55	0.0	-50.64	414.10	6.24	-44.40
CC1=CC(C(C)(C)C)=CC=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222421	1	55	0.0	-49.79	416.84	6.10	-43.69
CC(=O)C1=CC=CC(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222422	0	45	0.0	-58.71	360.45	3.66	-55.05
CC(=O)C1=CC=CC(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222422	1	45	0.0	-58.95	358.77	3.80	-55.15
CC1=CC=C(C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2)C=C1	REAL300020222423	0	56	0.0	-49.79	445.16	7.98	-41.81
CC1=CC=C(C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2)C=C1	REAL300020222423	1	56	0.0	-50.60	441.37	8.31	-42.29
CC1=CC(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(C(C)C)C=C1Cl	REAL300020222424	0	52	0.0	-52.24	411.73	6.27	-45.97
CC1=CC(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(C(C)C)C=C1Cl	REAL300020222424	1	52	0.0	-53.01	410.06	6.40	-46.61
CC1=CC=CC=C1C(OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222425	0	56	0.0	-49.98	434.29	7.86	-42.12
CC1=CC=CC=C1C(OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222425	1	56	0.0	-50.62	435.96	7.70	-42.92
CC=CC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222426	0	51	0.0	-53.56	399.69	5.08	-48.48
CC=CC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222426	1	51	0.0	-53.78	401.87	4.91	-48.87
CC1=CC(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020222427	0	46	0.0	-51.43	360.76	4.49	-46.94
CC1=CC(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020222427	1	46	0.0	-51.90	358.81	4.63	-47.27
OC(COC1=CC=CC=C1Cl)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222428	0	40	0.0	-53.13	333.71	3.72	-49.41
OC(COC1=CC=CC=C1Cl)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222428	1	40	0.0	-53.42	335.89	3.55	-49.87
OC(COC1=CC=C(Cl)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222429	0	40	0.0	-50.88	336.83	3.49	-47.39
OC(COC1=CC=C(Cl)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222429	1	40	0.0	-53.06	336.59	3.52	-49.54
COC1=CC=CC=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222430	0	44	0.0	-53.39	346.93	3.09	-50.30
COC1=CC=CC=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222430	1	44	0.0	-53.60	349.11	2.92	-50.68
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020222431	0	50	0.0	-62.22	391.76	5.71	-56.51
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020222431	1	50	0.0	-68.05	392.05	5.85	-62.20
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020222431	1	50	0.0	-62.19	391.69	5.70	-56.49
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020222431	1	50	0.0	-67.97	391.98	5.85	-62.12
CC1=CC(=O)N2N=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020222433	1	36	0.0	-56.88	311.84	3.94	-52.94
CC1=CC(=O)N2N=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020222433	1	36	0.0	-56.18	312.53	3.92	-52.26
CC1=CC=CC(N2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020222434	0	51	0.0	-48.05	385.06	5.93	-42.12
CC1=CC=CC(N2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020222434	1	51	0.0	-48.21	385.17	5.96	-42.25
CC(C(=O)N1CCN(C2=CC=CC=C2)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222436	0	51	0.0	-43.11	380.18	5.51	-37.60
CC(C(=O)N1CCN(C2=CC=CC=C2)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222436	1	51	0.0	-55.52	381.21	5.60	-49.92
CC(C(=O)NC(=O)NC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222437	1	43	0.0	-53.29	343.43	4.57	-48.72
CC(C(=O)NC(=O)NC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222437	1	43	0.0	-58.76	343.07	4.57	-54.19
COC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222438	0	42	0.0	-51.58	345.42	3.36	-48.22
COC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222438	1	42	0.0	-46.85	345.47	3.41	-43.44
CC(C)CNC(=O)NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222439	1	45	0.0	-51.48	349.96	3.33	-48.15
CC(C)CNC(=O)NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222439	1	45	0.0	-56.85	349.63	3.33	-53.52
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CS2)O1	REAL300020222441	0	38	0.0	-47.95	327.75	3.79	-44.16
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CS2)O1	REAL300020222441	1	38	0.0	-47.62	326.35	4.03	-43.59
O=C1C2=CC=CC=C2C(=O)N1CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222442	0	43	0.0	-50.55	356.04	2.80	-47.75
O=C1C2=CC=CC=C2C(=O)N1CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222442	1	43	0.0	-50.93	355.78	2.88	-48.05
CC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222443	0	41	0.0	-50.61	337.38	4.72	-45.89
CC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222443	1	41	0.0	-45.54	337.42	4.77	-40.77
C1=COC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222446	1	35	0.0	-46.66	305.86	4.47	-42.19
C1=COC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222446	1	35	0.0	-48.53	304.76	4.76	-43.77
ClC1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222447	0	38	0.0	-50.60	331.89	4.55	-46.05
ClC1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222447	1	38	0.0	-46.16	332.69	4.62	-41.54
CC1=CC=C(NC(=O)NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222448	1	49	0.0	-53.05	382.60	6.08	-46.97
CC1=CC=C(NC(=O)NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222448	1	49	0.0	-69.50	382.45	6.07	-63.43
CC1=CC=C(F)C=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222449	1	42	0.0	-56.03	333.23	5.62	-50.41
CC1=CC=C(F)C=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222449	1	42	0.0	-54.32	331.27	5.50	-48.82
CC1=CC(C)=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222450	1	45	0.0	-55.90	350.71	5.86	-50.04
CC1=CC(C)=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222450	1	45	0.0	-46.50	349.35	5.87	-40.63
CC(C(=O)NC1=CC=C2OCOC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222451	1	42	0.0	-54.37	334.38	3.21	-51.16
CC(C(=O)NC1=CC=C2OCOC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222451	1	42	0.0	-52.41	333.10	3.20	-49.21
CC(C(=O)N(C)C1CCCCC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222452	0	48	0.0	-41.24	344.94	5.86	-35.38
CC(C(=O)N(C)C1CCCCC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222452	1	48	0.0	-53.85	345.06	5.80	-48.05
OC(COC1=CC=C(Cl)C(Cl)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222458	0	40	0.0	-52.56	349.59	4.14	-48.42
OC(COC1=CC=C(Cl)C(Cl)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222458	1	40	0.0	-53.51	347.90	4.28	-49.23
CC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222459	1	45	0.0	-49.87	346.37	5.79	-44.08
CC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222459	1	45	0.0	-47.53	346.11	5.76	-41.77
CSC1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222460	1	43	0.0	-51.52	348.27	5.70	-45.82
CSC1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222460	1	43	0.0	-45.71	348.08	5.55	-40.16
CN(C)C1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222462	0	50	0.0	-49.03	385.53	6.65	-42.38
CN(C)C1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222462	1	50	0.0	-48.71	386.39	6.66	-42.05
CC1=CC=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020222463	0	41	0.0	-50.79	335.34	7.43	-43.36
CC1=CC=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020222463	1	41	0.0	-52.76	334.68	7.51	-45.25
CC1=CC=C(C)C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222464	0	46	0.0	-51.22	361.30	4.38	-46.84
CC1=CC=C(C)C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222464	1	46	0.0	-51.73	357.49	4.71	-47.02
OC(COC1=CC=C(OC2=CC=CC=C2)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222465	0	51	0.0	-52.05	410.51	5.88	-46.17
OC(COC1=CC=C(OC2=CC=CC=C2)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222465	1	51	0.0	-54.17	408.58	5.84	-48.33
COC1=CC(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020222468	1	50	0.0	-58.30	406.87	4.41	-53.89
COC1=CC(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020222468	1	50	0.0	-54.92	407.39	4.48	-50.44
ClC1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222470	0	39	0.0	-50.46	327.11	6.49	-43.97
ClC1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222470	1	39	0.0	-51.26	326.64	6.54	-44.72
ClC1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222470	1	39	0.0	-50.38	327.04	6.49	-43.89
ClC1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222470	1	39	0.0	-51.25	326.57	6.54	-44.71
CC1=CC(C)=CC(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222471	0	45	0.0	-49.33	353.22	7.32	-42.01
CC1=CC(C)=CC(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222471	1	45	0.0	-49.99	352.73	7.35	-42.64
CC1=CC(C)=CC(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222471	1	45	0.0	-49.30	353.15	7.30	-42.00
CC1=CC(C)=CC(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222471	1	45	0.0	-49.95	352.65	7.35	-42.60
CC1=CC=CC=C1CN1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222472	1	54	0.0	-47.52	406.48	6.54	-40.98
CC1=CC=CC=C1CN1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222472	1	54	0.0	-45.84	406.63	6.12	-39.72
BrC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222473	0	32	0.0	-49.41	277.52	6.15	-43.26
BrC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222473	1	32	0.0	-48.96	279.03	6.17	-42.79
O=C1C2=CC=CC=C2C(=O)N1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222474	0	39	0.0	-49.35	324.75	5.22	-44.13
O=C1C2=CC=CC=C2C(=O)N1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222474	1	39	0.0	-47.83	324.81	5.17	-42.66
CC(C(=O)NC1CCC(C)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222475	0	48	0.0	-52.03	352.60	5.33	-46.70
CC(C(=O)NC1CCC(C)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222475	1	48	0.0	-43.95	351.31	5.38	-38.57
CC(C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222476	0	46	0.0	-57.89	347.90	1.32	-56.57
CC(C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222476	1	46	0.0	-55.32	347.56	1.28	-54.04
CC(=O)NC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222477	0	47	0.0	-57.31	376.20	1.87	-55.44
CC(=O)NC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222477	1	47	0.0	-59.64	376.23	1.89	-57.75
CC1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222478	0	45	0.0	-48.87	348.34	7.19	-41.68
CC1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222478	1	45	0.0	-49.98	348.31	7.23	-42.75
CC1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020222478	1	45	0.0	-48.85	348.28	7.18	-41.67
CC1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020222478	1	45	0.0	-49.99	348.24	7.23	-42.76
CCC1=CC=CC(CC)=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222480	1	51	0.0	-47.47	384.81	7.52	-39.95
CCC1=CC=CC(CC)=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222480	1	51	0.0	-46.31	383.18	7.50	-38.81
CC(C)OC(=O)C1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222483	1	51	0.0	-60.07	404.60	6.78	-53.29
CC(C)OC(=O)C1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222483	1	51	0.0	-61.94	404.33	6.81	-55.13
CCC1=CC=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222484	1	45	0.0	-47.63	345.80	6.19	-41.44
CCC1=CC=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222484	1	45	0.0	-46.30	345.41	6.22	-40.08
COC1=CC=CC(CNC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222485	0	46	0.0	-47.02	363.26	3.98	-43.04
COC1=CC=CC(CNC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222485	1	46	0.0	-51.59	362.39	4.00	-47.59
CC1=CC=CC=C1C(C)NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222486	0	48	0.0	-42.80	367.61	6.11	-36.69
CC1=CC=CC=C1C(C)NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222486	1	48	0.0	-43.24	366.50	6.03	-37.21
COC1=CC=CC=C1C(C)NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222487	1	49	0.0	-44.22	378.81	4.92	-39.30
COC1=CC=CC=C1C(C)NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222487	1	49	0.0	-52.19	377.72	4.95	-47.24
CC1=CC=CC=C1CCNC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222488	0	48	0.0	-56.37	370.79	5.90	-50.47
CC1=CC=CC=C1CCNC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222488	1	48	0.0	-52.03	369.71	5.94	-46.09
CC1=CC=CC=C1CNC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222489	0	45	0.0	-45.42	350.69	5.48	-39.94
CC1=CC=CC=C1CNC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222489	1	45	0.0	-42.55	351.51	5.17	-37.38
CC(C(=O)NC1CCOC2=CC=CC=C21)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222490	1	47	0.0	-45.89	358.61	4.51	-41.38
CC(C(=O)NC1CCOC2=CC=CC=C21)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222490	1	47	0.0	-55.83	358.43	4.50	-51.33
CC(C(=O)NC1=CC=C2OCCCOC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222491	1	48	0.0	-49.40	370.60	4.48	-44.92
CC(C(=O)NC1=CC=C2OCCCOC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222491	1	48	0.0	-52.44	369.88	4.48	-47.96
CC1=CC=CC(OCCNC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222492	1	49	0.0	-43.28	385.32	4.97	-38.31
CC1=CC=CC(OCCNC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222492	1	49	0.0	-49.51	384.19	5.00	-44.51
CCN(CC)C(=O)C1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222493	1	55	0.0	-59.41	417.35	6.31	-53.10
CCN(CC)C(=O)C1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222493	1	55	0.0	-51.30	419.41	6.21	-45.09
CCC1=CC=C(C(C)NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222495	0	51	0.0	-42.83	394.44	6.97	-35.86
CCC1=CC=C(C(C)NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222495	1	51	0.0	-53.98	394.21	6.96	-47.02
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222496	0	45	0.0	-44.62	368.23	6.05	-38.57
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222496	1	45	0.0	-55.09	368.00	6.04	-49.05
CSC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222497	1	43	0.0	-57.33	347.74	5.52	-51.81
CSC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222497	1	43	0.0	-48.71	346.52	5.56	-43.15
COC1=CC=C(OC)C(C(C)NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222498	1	53	0.0	-43.92	408.30	4.20	-39.72
COC1=CC=C(OC)C(C(C)NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222498	1	53	0.0	-44.32	408.49	4.18	-40.14
CC1=CC=CC=C1CN(C)C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222499	0	48	0.0	-43.45	362.00	7.64	-35.81
CC1=CC=CC=C1CN(C)C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222499	1	48	0.0	-56.31	361.97	7.62	-48.69
CC(C(=O)N(C)CC1=CC=C(Br)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222500	0	45	0.0	-49.29	369.76	7.28	-42.01
CC(C(=O)N(C)CC1=CC=C(Br)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222500	1	45	0.0	-53.21	366.46	7.11	-46.10
CC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222501	0	46	0.0	-51.18	359.34	4.58	-46.60
CC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222501	1	46	0.0	-51.71	357.47	4.71	-47.00
C=CCC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222502	0	51	0.0	-53.41	404.71	4.91	-48.50
C=CCC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222502	1	51	0.0	-53.43	404.81	4.91	-48.52
CC(C(=O)NC1CCCC(C)C1C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222505	1	51	0.0	-41.63	372.90	5.70	-35.93
CC(C(=O)NC1CCCC(C)C1C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222505	1	51	0.0	-45.34	365.48	5.47	-39.87
CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222507	1	45	0.0	-50.88	356.42	2.72	-48.16
CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222507	1	45	0.0	-48.23	357.34	2.72	-45.51
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)NC2=CC=CC=C2)CC1	REAL300020222510	0	52	0.0	-57.29	398.98	5.86	-51.43
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)NC2=CC=CC=C2)CC1	REAL300020222510	1	52	0.0	-57.04	400.34	5.81	-51.23
ClC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222511	0	38	0.0	-51.37	332.71	4.57	-46.80
ClC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222511	1	38	0.0	-46.46	332.75	4.62	-41.84
NC(=O)CCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020222512	1	46	0.0	-55.96	376.48	3.45	-52.51
NC(=O)CCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020222512	1	46	0.0	-56.85	376.37	3.43	-53.42
ClC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020222514	0	35	0.0	-53.56	300.68	4.72	-48.84
ClC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020222514	1	35	0.0	-52.99	299.97	4.79	-48.20
CC(C(=O)N(C)CC1=CC=CC(F)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222518	0	45	0.0	-48.10	353.11	6.60	-41.50
CC(C(=O)N(C)CC1=CC=CC(F)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222518	1	45	0.0	-50.36	355.53	6.62	-43.74
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020222519	0	40	0.0	-53.09	326.40	5.02	-48.07
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020222519	1	40	0.0	-51.60	325.68	5.09	-46.51
CC(C(=O)N(C)CC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222520	0	45	0.0	-49.22	345.86	6.56	-42.66
CC(C(=O)N(C)CC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222520	1	45	0.0	-54.49	346.26	6.43	-48.06
CC1=CC(C)=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222522	1	48	0.0	-51.87	364.76	6.84	-45.03
CC1=CC(C)=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222522	1	48	0.0	-54.84	365.95	6.76	-48.08
CC(C(=O)NC1=CC=CC2=CC=CC=C21)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222523	0	45	0.0	-53.35	351.21	7.08	-46.27
CC(C(=O)NC1=CC=CC2=CC=CC=C21)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222523	1	45	0.0	-57.69	350.57	6.95	-50.74
CC(C(=O)NC1=CC=C(N2CCCCC2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222524	1	54	0.0	-54.92	401.27	5.76	-49.16
CC(C(=O)NC1=CC=C(N2CCCCC2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222524	1	54	0.0	-46.68	399.28	5.82	-40.86
CC(C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222525	1	52	0.0	-45.19	409.03	8.79	-36.40
CC(C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222525	1	52	0.0	-47.16	407.51	8.73	-38.43
CC(C1=CC=C(F)C=C1)N(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222528	1	45	0.0	-53.07	351.16	6.73	-46.34
CC(C1=CC=C(F)C=C1)N(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222528	1	45	0.0	-53.34	351.03	6.72	-46.62
FC(F)OC1=CC=C(Cl)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222541	1	36	0.0	-47.50	312.35	5.82	-41.68
FC(F)OC1=CC=C(Cl)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222541	1	36	0.0	-46.08	311.39	5.76	-40.32
COC1=CC=CC=C1CN(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222543	1	46	0.0	-45.42	361.29	5.68	-39.74
COC1=CC=CC=C1CN(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222543	1	46	0.0	-48.89	360.77	5.63	-43.26
CN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCC2=CC=CC=C21	REAL300020222544	1	49	0.0	-45.24	369.77	8.23	-37.01
CN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCC2=CC=CC=C21	REAL300020222544	1	49	0.0	-45.58	370.04	8.22	-37.36
CC(C(=O)NCC1CCCCC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222545	0	48	0.0	-45.52	355.82	5.07	-40.45
CC(C(=O)NCC1CCCCC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222545	1	48	0.0	-53.46	355.88	5.08	-48.38
O=[N+]([O-])C1=CC2=C(OCOC2)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222549	0	40	0.0	-49.79	323.67	5.40	-44.39
O=[N+]([O-])C1=CC2=C(OCOC2)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222549	1	40	0.0	-51.88	329.15	5.43	-46.45
CC(C(=O)NC1=CC=CC(C(F)(F)F)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222550	1	42	0.0	-53.11	347.40	5.65	-47.46
CC(C(=O)NC1=CC=CC(C(F)(F)F)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222550	1	42	0.0	-46.16	346.86	5.52	-40.64
CC(C(=O)NCCC1=CCCCC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222551	0	49	0.0	-42.55	371.39	5.68	-36.87
CC(C(=O)NCCC1=CCCCC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222551	1	49	0.0	-50.36	370.20	5.70	-44.66
CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222552	0	51	0.0	-50.47	385.32	2.26	-48.21
CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222552	1	51	0.0	-49.91	385.07	2.32	-47.59
C1=CC=C(C2=NOC(CCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020222553	0	43	0.0	-55.35	352.44	5.78	-49.57
C1=CC=C(C2=NOC(CCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020222553	1	43	0.0	-55.97	352.40	5.81	-50.16
C1=CC=C(C2=NOC(CCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020222553	1	43	0.0	-55.31	352.37	5.78	-49.53
C1=CC=C(C2=NOC(CCC[N@H+]3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020222553	1	43	0.0	-55.97	352.33	5.79	-50.18
OC(COC1CCCC2=CC=CC=C21)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222556	0	50	0.0	-49.71	381.98	5.58	-44.13
OC(COC1CCCC2=CC=CC=C21)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222556	1	50	0.0	-53.44	384.46	5.33	-48.11
OC(COC1=CC=CC(Cl)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222557	0	40	0.0	-53.31	334.41	3.69	-49.62
OC(COC1=CC=CC(Cl)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222557	1	40	0.0	-53.80	332.73	3.82	-49.98
COC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222558	1	50	0.0	-53.45	392.55	5.42	-48.03
COC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222558	1	50	0.0	-49.78	393.26	5.42	-44.36
CC(C(=O)NCC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222559	0	42	0.0	-47.35	333.83	4.69	-42.66
CC(C(=O)NCC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222559	1	42	0.0	-42.45	334.17	4.66	-37.79
C1=CC=C(C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020222560	0	42	0.0	-46.91	332.63	8.96	-37.95
C1=CC=C(C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020222560	1	42	0.0	-48.41	330.41	8.95	-39.46
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020222561	1	45	0.0	-45.19	381.47	6.49	-38.70
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020222561	1	45	0.0	-52.63	380.36	6.52	-46.11
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020222563	0	45	0.0	-45.40	357.90	5.59	-39.81
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020222563	1	45	0.0	-55.82	357.68	5.59	-50.23
NC(=O)CCS(=O)(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222564	1	38	0.0	-60.53	321.33	-2.13	-62.66
NC(=O)CCS(=O)(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222564	1	38	0.0	-63.94	322.06	-2.00	-65.94
CC(C(=O)NCCC1=CC=C(F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222565	0	45	0.0	-50.56	361.68	5.53	-45.03
CC(C(=O)NCCC1=CC=C(F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222565	1	45	0.0	-46.63	361.92	5.55	-41.08
CCN1CCN(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222566	0	47	0.0	-45.97	347.00	2.96	-43.01
CCN1CCN(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222566	1	47	0.0	-51.49	346.14	2.84	-48.65
CN(C)S(=O)(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222567	0	43	0.0	-53.89	354.08	3.56	-50.33
CN(C)S(=O)(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222567	1	43	0.0	-52.64	351.01	3.54	-49.10
CCOC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222568	0	43	0.0	-49.71	336.95	5.72	-43.99
CCOC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222568	1	43	0.0	-48.38	339.49	5.58	-42.80
FC1=CC(Br)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222569	1	32	0.0	-49.07	283.08	6.28	-42.79
FC1=CC(Br)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222569	1	32	0.0	-49.75	286.07	6.28	-43.47
C1=CC=C(C(C2=CC=CC=C2)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222570	0	42	0.0	-41.82	329.71	9.25	-32.57
C1=CC=C(C(C2=CC=CC=C2)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222570	1	42	0.0	-42.78	329.60	9.25	-33.53
C1=CC=C(C(C2=CC=CC=C2)[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222570	1	42	0.0	-41.79	329.64	9.23	-32.56
C1=CC=C(C(C2=CC=CC=C2)[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222570	1	42	0.0	-42.74	329.54	9.24	-33.50
CCOC1=CC=C(C(C)=O)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222571	0	44	0.0	-45.10	347.89	6.37	-38.73
CCOC1=CC=C(C(C)=O)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222571	1	44	0.0	-45.76	346.95	6.31	-39.45
ClC1=CC=C(C2=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N3C=CSC3=N2)C=C1	REAL300020222572	0	42	0.0	-55.09	370.12	9.17	-45.92
ClC1=CC=C(C2=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N3C=CSC3=N2)C=C1	REAL300020222572	1	42	0.0	-51.42	366.10	9.06	-42.36
O=C(C(C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCCC1	REAL300020222573	0	49	0.0	-46.23	368.12	7.62	-38.61
O=C(C(C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCCC1	REAL300020222573	1	49	0.0	-41.80	367.73	7.68	-34.12
CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222574	1	50	0.0	-51.68	389.12	3.45	-48.23
CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222574	1	50	0.0	-54.99	388.79	3.45	-51.54
CSC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222575	1	46	0.0	-49.93	374.24	7.26	-42.67
CSC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222575	1	46	0.0	-49.66	374.09	7.26	-42.40
CC1=CC=C(C)C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222576	1	45	0.0	-52.10	348.23	6.23	-45.87
CC1=CC=C(C)C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222576	1	45	0.0	-51.82	346.26	6.10	-45.72
O=C1C2=CC=CC=C2C(=O)N1CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222581	0	42	0.0	-50.25	346.31	5.95	-44.30
O=C1C2=CC=CC=C2C(=O)N1CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222581	1	42	0.0	-50.27	346.32	5.95	-44.32
O=C1C2=CC=CC=C2C(=O)N1CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222581	1	42	0.0	-50.22	346.25	5.94	-44.28
O=C1C2=CC=CC=C2C(=O)N1CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222581	1	42	0.0	-50.21	346.25	5.94	-44.27
C1=CC=C(OC2=CC=CC=C2C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222583	0	43	0.0	-43.48	338.81	8.39	-35.09
C1=CC=C(OC2=CC=CC=C2C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222583	1	43	0.0	-41.23	343.24	8.40	-32.83
CC(=O)C1=C(C)C=C(C)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222584	0	46	0.0	-47.23	347.00	7.58	-39.65
CC(=O)C1=C(C)C=C(C)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222584	1	46	0.0	-50.04	347.20	7.34	-42.70
CC(=O)N1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222588	0	43	0.0	-53.11	328.71	3.12	-49.99
CC(=O)N1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222588	1	43	0.0	-56.27	330.60	3.24	-53.03
COC1=CC2=CC=C(CN(C)C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222589	1	52	0.0	-49.49	409.74	7.83	-41.66
COC1=CC2=CC=C(CN(C)C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222589	1	52	0.0	-48.21	409.86	7.76	-40.45
CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222592	1	55	0.0	-51.23	428.13	7.39	-43.84
CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222592	1	55	0.0	-49.34	428.76	7.44	-41.90
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020222593	1	42	0.0	-51.91	355.60	5.64	-46.27
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020222593	1	42	0.0	-51.81	355.50	5.64	-46.17
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222594	1	42	0.0	-51.94	351.03	5.54	-46.40
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222594	1	42	0.0	-51.84	350.94	5.54	-46.30
CC1=CC(C(C)(C)C)=CC(C)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222595	0	50	0.0	-41.87	363.27	8.89	-32.98
CC1=CC(C(C)(C)C)=CC(C)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222595	1	50	0.0	-42.07	360.89	8.90	-33.17
CC1=CC(C(C)(C)C)=CC(C)=C1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222595	1	50	0.0	-41.86	363.21	8.87	-32.99
CC1=CC(C(C)(C)C)=CC(C)=C1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222595	1	50	0.0	-42.03	360.81	8.88	-33.15
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CC2CCC1C2	REAL300020222596	1	49	0.0	-45.10	360.55	5.50	-39.60
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CC2CCC1C2	REAL300020222596	1	49	0.0	-45.32	361.96	5.74	-39.58
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCC1=CC=CC=C1	REAL300020222597	1	45	0.0	-46.94	360.20	5.70	-41.24
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCC1=CC=CC=C1	REAL300020222597	1	45	0.0	-46.88	360.65	5.70	-41.18
CCC1CCCCN1C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222598	0	48	0.0	-44.07	341.96	5.76	-38.31
CCC1CCCCN1C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222598	1	48	0.0	-40.21	340.14	5.72	-34.49
CCN(CC1=CC=CC=C1)C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222599	0	48	0.0	-53.67	364.82	7.32	-46.35
CCN(CC1=CC=CC=C1)C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222599	1	48	0.0	-48.67	367.75	7.46	-41.21
COC(=O)C1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222600	0	45	0.0	-52.19	349.68	4.93	-47.26
COC(=O)C1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222600	1	45	0.0	-56.58	349.09	4.91	-51.67
CC(C(=O)NC1CCCCC1C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222601	1	48	0.0	-49.10	351.16	5.73	-43.37
CC(C(=O)NC1CCCCC1C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222601	1	48	0.0	-53.69	355.48	5.22	-48.47
O=[N+]([O-])C1=CC=CC(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222605	0	42	0.0	-61.03	348.02	3.63	-57.40
O=[N+]([O-])C1=CC=CC(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222605	1	42	0.0	-61.48	344.20	3.98	-57.50
COC(=O)C1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222606	0	46	0.0	-55.59	374.82	3.64	-51.95
COC(=O)C1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222606	1	46	0.0	-58.03	374.58	3.67	-54.36
COC1=CC=C(N2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020222610	0	52	0.0	-49.59	393.12	4.53	-45.06
COC1=CC=C(N2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020222610	1	52	0.0	-49.67	393.27	4.57	-45.10
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=CC=C1	REAL300020222612	1	42	0.0	-52.05	338.35	4.94	-47.11
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=CC=C1	REAL300020222612	1	42	0.0	-47.65	339.15	4.92	-42.73
CC(C(=O)NC1=CC=C(OC(F)(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222613	1	43	0.0	-56.58	353.54	4.28	-52.30
CC(C(=O)NC1=CC=C(OC(F)(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222613	1	43	0.0	-48.68	352.32	4.33	-44.35
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020222615	0	48	0.0	-49.11	380.32	5.75	-43.36
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020222615	1	48	0.0	-48.62	380.48	5.80	-42.82
CC1CCC2=CC=CC=C2N1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222618	1	46	0.0	-51.55	338.35	6.95	-44.60
CC1CCC2=CC=CC=C2N1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222618	1	46	0.0	-47.28	338.32	7.02	-40.26
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1	REAL300020222621	1	40	0.0	-47.64	324.14	5.51	-42.13
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1	REAL300020222621	1	40	0.0	-46.64	324.59	5.52	-41.12
OC(CN1C2=C(C=CC=C2)C2=C1C=CC=C2)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222622	0	49	0.0	-54.05	387.32	7.49	-46.56
OC(CN1C2=C(C=CC=C2)C2=C1C=CC=C2)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222622	1	49	0.0	-54.96	385.76	7.65	-47.31
FC(F)(F)OC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222623	0	36	0.0	-49.43	303.25	5.41	-44.02
FC(F)(F)OC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222623	1	36	0.0	-49.60	303.72	5.32	-44.28
C1=CC2=CC=C(OCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222624	0	42	0.0	-50.28	330.87	7.83	-42.45
C1=CC2=CC=C(OCC[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222624	1	42	0.0	-51.94	333.35	7.57	-44.37
ClC1=CC=C(CC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222625	1	41	0.0	-43.76	363.89	7.60	-36.16
ClC1=CC=C(CC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222625	1	41	0.0	-45.85	364.07	7.79	-38.06
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)O1	REAL300020222626	0	41	0.0	-49.16	329.62	4.52	-44.64
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)O1	REAL300020222626	1	41	0.0	-47.20	337.73	4.93	-42.27
ClC1=CC=C2C(=C1)N=C(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)N2CC1=CC=CC=C1	REAL300020222627	1	48	0.0	-51.76	399.29	10.13	-41.63
ClC1=CC=C2C(=C1)N=C(C[N@H+]1CCC(C3=NN=N[N-]3)C1)N2CC1=CC=CC=C1	REAL300020222627	1	48	0.0	-52.70	398.52	10.31	-42.39
FC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020222629	1	32	0.0	-47.59	279.25	6.19	-41.40
FC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020222629	1	32	0.0	-49.03	282.02	6.23	-42.80
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCSC1=CC=CC=C1	REAL300020222631	1	46	0.0	-52.12	378.66	6.16	-45.96
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCSC1=CC=CC=C1	REAL300020222631	1	46	0.0	-48.44	379.45	6.14	-42.30
FC(F)(F)C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222633	0	41	0.0	-45.40	362.64	7.38	-38.02
FC(F)(F)C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222633	1	41	0.0	-48.08	360.93	7.72	-40.36
O=C(C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)N1CCCC1	REAL300020222636	0	46	0.0	-57.32	352.78	6.58	-50.74
O=C(C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)N1CCCC1	REAL300020222636	1	46	0.0	-56.04	353.02	6.59	-49.45
CC1=CC=CC=C1CCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222640	1	45	0.0	-47.99	354.08	5.38	-42.61
CC1=CC=CC=C1CCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222640	1	45	0.0	-48.78	354.25	5.47	-43.31
NC(=O)CCN(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222644	0	49	0.0	-51.50	391.60	3.96	-47.54
NC(=O)CCN(CC1=CC=CC=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222644	1	49	0.0	-51.44	391.52	3.96	-47.48
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222645	0	42	0.0	-45.37	347.64	7.36	-38.01
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222645	1	42	0.0	-45.62	346.90	7.48	-38.14
CC(C)(C)C1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222648	0	51	0.0	-48.75	386.57	8.29	-40.46
CC(C)(C)C1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222648	1	51	0.0	-48.35	386.13	8.27	-40.08
CC(C)(C)C1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222648	1	51	0.0	-48.74	386.50	8.29	-40.45
CC(C)(C)C1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222648	1	51	0.0	-48.32	386.05	8.26	-40.06
CCOC(=O)C1CCCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020222649	1	48	0.0	-54.03	370.80	5.77	-48.26
CCOC(=O)C1CCCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020222649	1	48	0.0	-49.89	371.75	5.78	-44.11
N#CCCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222650	1	43	0.0	-59.29	353.23	7.08	-52.21
N#CCCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222650	1	43	0.0	-56.75	353.79	7.13	-49.62
CCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020222651	0	48	0.0	-48.36	379.36	9.38	-38.98
CCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020222651	1	48	0.0	-52.67	371.66	9.05	-43.62
COC1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222652	0	43	0.0	-50.99	339.91	5.26	-45.73
COC1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222652	1	43	0.0	-50.69	339.46	5.23	-45.46
COC1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222652	1	43	0.0	-50.94	339.84	5.25	-45.69
COC1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222652	1	43	0.0	-50.63	339.39	5.22	-45.41
CCN(CC1=CC=C(OC)C(OC)=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222653	1	53	0.0	-49.52	413.18	6.39	-43.13
CCN(CC1=CC=C(OC)C(OC)=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222653	1	53	0.0	-50.17	413.28	6.40	-43.77
CCC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222657	1	48	0.0	-48.61	376.93	7.68	-40.93
CCC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222657	1	48	0.0	-48.19	376.78	7.68	-40.51
CN(C)C(=O)C(C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222661	0	42	0.0	-46.52	324.29	5.46	-41.06
CN(C)C(=O)C(C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222661	1	42	0.0	-42.19	325.43	5.57	-36.62
CC1=CC=C(CNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222662	1	42	0.0	-45.74	338.61	4.83	-40.91
CC1=CC=C(CNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222662	1	42	0.0	-45.79	338.98	4.83	-40.96
C1=CSC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222663	1	35	0.0	-45.50	307.23	2.97	-42.53
C1=CSC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222663	1	35	0.0	-47.33	306.57	3.08	-44.25
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020222664	0	52	0.0	-50.07	403.52	6.74	-43.33
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020222664	1	52	0.0	-49.67	403.69	6.75	-42.92
CC(CNC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222665	0	48	0.0	-47.78	370.84	6.04	-41.74
CC(CNC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222665	1	48	0.0	-43.89	371.28	6.01	-37.88
CSC1=CC=CC=C1NC(=O)CN(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222666	1	50	0.0	-50.82	407.82	6.08	-44.74
CSC1=CC=CC=C1NC(=O)CN(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222666	1	50	0.0	-50.52	407.76	6.00	-44.52
CCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222667	1	42	0.0	-50.94	332.30	6.58	-44.36
CCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222667	1	42	0.0	-47.05	332.95	6.63	-40.42
CC(C)(C)N(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222668	0	51	0.0	-42.69	370.52	7.42	-35.27
CC(C)(C)N(CC1=CC=CC=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222668	1	51	0.0	-42.18	371.15	7.54	-34.64
CN(CCCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222669	1	50	0.0	-47.86	390.64	5.61	-42.25
CN(CCCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222669	1	50	0.0	-47.63	391.08	5.60	-42.03
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020222671	1	51	0.0	-46.68	404.93	6.02	-40.66
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020222671	1	51	0.0	-46.68	405.08	6.07	-40.61
CCC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222672	1	45	0.0	-54.57	351.17	5.93	-48.64
CCC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222672	1	45	0.0	-46.20	349.20	5.98	-40.22
CC(C)N(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222673	1	45	0.0	-50.93	350.11	7.01	-43.92
CC(C)N(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222673	1	45	0.0	-47.68	336.00	6.53	-41.15
CN(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222674	1	42	0.0	-46.29	334.27	6.28	-40.01
CN(CC1=CC=CC=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222674	1	42	0.0	-48.44	333.89	6.24	-42.20
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020222677	0	47	0.0	-55.29	367.52	4.26	-51.03
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020222677	1	47	0.0	-54.94	367.63	4.28	-50.66
CN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020222679	1	52	0.0	-46.22	400.41	9.36	-36.86
CN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020222679	1	52	0.0	-45.96	400.34	9.36	-36.60
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1([NH+]2CCOCC2)CCCCC1	REAL300020222680	1	58	0.0	-69.49	402.00	1.93	-67.56
CC[NH+]1CCC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222681	0	47	0.0	-67.28	350.86	1.76	-65.52
CC[NH+]1CCC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222681	1	47	0.0	-67.32	350.93	1.77	-65.55
C1=CSC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222682	1	35	0.0	-44.63	315.41	5.49	-39.14
C1=CSC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222682	1	35	0.0	-46.14	313.85	5.75	-40.39
CC(C1=CC=CC=C1)N(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222685	0	45	0.0	-51.19	344.75	6.66	-44.53
CC(C1=CC=CC=C1)N(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222685	1	45	0.0	-49.67	346.18	7.15	-42.52
ClC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020222686	0	36	0.0	-51.14	318.53	6.57	-44.57
ClC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020222686	1	36	0.0	-53.31	320.09	6.36	-46.95
CC1=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1C(C)C	REAL300020222687	0	48	0.0	-47.48	363.21	7.97	-39.51
CC1=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1C(C)C	REAL300020222687	1	48	0.0	-48.77	364.97	7.74	-41.03
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCN1CCCC1=O	REAL300020222688	1	46	0.0	-53.28	364.86	3.00	-50.28
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCN1CCCC1=O	REAL300020222688	1	46	0.0	-53.01	365.31	2.99	-50.02
COC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222689	1	46	0.0	-50.23	363.53	5.54	-44.69
COC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222689	1	46	0.0	-50.03	363.38	5.54	-44.49
CC(C(=O)N1CCC2=CC=CC=C2C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222690	0	46	0.0	-55.14	349.60	6.69	-48.45
CC(C(=O)N1CCC2=CC=CC=C2C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222690	1	46	0.0	-43.08	349.66	6.72	-36.36
CC(C(=O)N1CCN(C(=O)C2=CC=CO2)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222691	0	50	0.0	-49.76	384.14	4.50	-45.26
CC(C(=O)N1CCN(C(=O)C2=CC=CO2)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222691	1	50	0.0	-64.05	381.44	4.40	-59.65
O=S(=O)(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)OC1=CC=CC=C1	REAL300020222692	0	39	0.0	-62.51	325.96	3.61	-58.90
O=S(=O)(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)OC1=CC=CC=C1	REAL300020222692	1	39	0.0	-61.06	325.38	3.64	-57.42
BrC1=CC=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222693	0	32	0.0	-39.47	275.84	6.20	-33.27
BrC1=CC=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222693	1	32	0.0	-45.01	275.35	6.17	-38.84
CC(C(=O)NC1=CC=C2OCCOC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222694	1	45	0.0	-53.75	352.17	3.71	-50.04
CC(C(=O)NC1=CC=C2OCCOC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222694	1	45	0.0	-59.05	352.06	3.69	-55.36
CC(C(=O)N1C2=CC=CC=C2CC1C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222695	0	46	0.0	-39.95	342.76	6.91	-33.04
CC(C(=O)N1C2=CC=CC=C2CC1C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222695	1	46	0.0	-56.84	343.21	6.98	-49.86
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2)=N1	REAL300020222696	0	38	0.0	-48.64	323.64	6.58	-42.06
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2)=N1	REAL300020222696	1	38	0.0	-47.85	323.75	6.63	-41.22
CC(C)C1=CC=C(C2=NC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020222697	0	47	0.0	-46.21	384.03	8.52	-37.69
CC(C)C1=CC=C(C2=NC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020222697	1	47	0.0	-47.38	383.98	8.57	-38.81
CC(C(=O)NCC(=O)NC1=CC=C(F)C(F)=C1F)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222698	1	46	0.0	-55.89	385.33	3.28	-52.61
CC(C(=O)NCC(=O)NC1=CC=C(F)C(F)=C1F)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222698	1	46	0.0	-53.97	384.28	3.31	-50.66
COC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1OC	REAL300020222699	0	46	0.0	-47.40	382.60	5.59	-41.81
COC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1OC	REAL300020222699	1	46	0.0	-49.78	380.89	5.94	-43.84
CCOC(=O)C1CCN(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222701	0	51	0.0	-53.72	388.67	6.17	-47.55
CCOC(=O)C1CCN(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222701	1	51	0.0	-46.81	387.93	6.13	-40.68
CC1=CC=CC(C(C)C)=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222702	1	51	0.0	-47.29	382.29	7.42	-39.87
CC1=CC=CC(C(C)C)=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222702	1	51	0.0	-46.32	388.28	7.73	-38.59
CC(C(=O)NCCC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222705	0	45	0.0	-56.17	355.44	5.44	-50.73
CC(C(=O)NCCC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222705	1	45	0.0	-52.01	354.38	5.48	-46.53
CC(C(=O)NC1=CC=CC=C1C(F)(F)F)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222706	1	42	0.0	-45.20	341.73	5.81	-39.39
CC(C(=O)NC1=CC=CC=C1C(F)(F)F)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222706	1	42	0.0	-51.82	341.96	5.76	-46.06
CC(C)C1=CC=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222707	1	48	0.0	-49.17	365.32	6.68	-42.49
CC(C)C1=CC=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222707	1	48	0.0	-45.94	363.32	6.68	-39.26
CC(C(=O)NCC1=CC=CC=C1Cl)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222708	1	42	0.0	-52.47	348.38	5.07	-47.40
CC(C(=O)NCC1=CC=CC=C1Cl)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222708	1	42	0.0	-48.17	347.27	5.11	-43.06
COC1=CC=CC=C1CNC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222710	1	46	0.0	-45.69	362.20	4.02	-41.67
COC1=CC=CC=C1CNC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222710	1	46	0.0	-42.44	362.63	4.00	-38.44
CC1=CC=C(CNC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222712	0	45	0.0	-47.36	355.24	5.37	-41.99
CC1=CC=C(CNC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222712	1	45	0.0	-49.40	354.30	5.38	-44.02
COC1=CC=C(OC)C(C2CCCN2C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222715	1	54	0.0	-51.58	414.47	6.27	-45.31
COC1=CC=C(OC)C(C2CCCN2C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222715	1	54	0.0	-46.85	415.29	6.28	-40.57
O=C1C2=CC=CC=C2C(=O)N1CCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222718	0	45	0.0	-51.11	367.80	6.73	-44.38
O=C1C2=CC=CC=C2C(=O)N1CCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222718	1	45	0.0	-53.44	368.52	6.86	-46.58
O=C1C2=CC=CC=C2C(=O)N1CCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222718	1	45	0.0	-51.12	367.73	6.72	-44.40
O=C1C2=CC=CC=C2C(=O)N1CCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222718	1	45	0.0	-53.40	368.45	6.86	-46.54
C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222719	0	49	0.0	-47.65	336.99	8.07	-39.58
C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222719	1	49	0.0	-46.19	337.15	8.04	-38.15
C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222719	1	49	0.0	-47.62	336.92	8.07	-39.55
C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222719	1	49	0.0	-46.16	337.08	8.04	-38.12
COC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222720	0	42	0.0	-44.44	353.39	5.69	-38.75
COC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222720	1	42	0.0	-46.77	353.51	5.88	-40.89
COC1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1OC	REAL300020222721	1	46	0.0	-45.67	379.39	5.69	-39.98
COC1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1OC	REAL300020222721	1	46	0.0	-47.58	377.67	6.04	-41.54
CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222722	1	50	0.0	-46.99	366.21	6.66	-40.33
CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222722	1	50	0.0	-43.31	366.43	6.70	-36.61
CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222723	0	47	0.0	-53.73	364.86	3.96	-49.77
CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222723	1	47	0.0	-53.46	364.99	4.00	-49.46
C1=CC=C(C2=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N3C=CC=CC3=N2)C=C1	REAL300020222724	0	45	0.0	-51.41	353.34	9.26	-42.15
C1=CC=C(C2=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N3C=CC=CC3=N2)C=C1	REAL300020222724	1	45	0.0	-49.19	358.72	9.29	-39.90
CC(C(=O)NCCC1=CC=CS1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222725	0	42	0.0	-56.09	345.67	4.53	-51.56
CC(C(=O)NCCC1=CC=CS1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222725	1	42	0.0	-51.54	344.59	4.57	-46.97
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCCC2=C1	REAL300020222726	1	52	0.0	-49.69	396.97	7.51	-42.18
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCCC2=C1	REAL300020222726	1	52	0.0	-47.01	397.64	7.57	-39.44
COC1=CC(Br)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222727	0	40	0.0	-48.90	333.90	5.43	-43.47
COC1=CC(Br)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222727	1	40	0.0	-44.70	333.83	5.43	-39.27
ClC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCCCO2	REAL300020222729	0	41	0.0	-53.25	336.98	6.05	-47.20
ClC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCCCO2	REAL300020222729	1	41	0.0	-52.91	336.51	6.03	-46.88
CCN(CC1=CC=C2OCCOC2=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222730	1	51	0.0	-51.77	398.42	6.32	-45.45
CCN(CC1=CC=C2OCCOC2=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222730	1	51	0.0	-48.49	399.03	6.37	-42.12
CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222731	1	55	0.0	-58.86	419.74	6.71	-52.15
CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222731	1	55	0.0	-58.61	419.25	6.69	-51.92
COC(=O)C1CC2=CC=CC=C2CN1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222732	1	49	0.0	-52.00	381.85	7.98	-44.02
COC(=O)C1CC2=CC=CC=C2CN1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222732	1	49	0.0	-56.01	382.27	7.97	-48.04
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020222740	1	55	0.0	-52.42	428.36	8.81	-43.61
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020222740	1	55	0.0	-48.14	429.16	8.79	-39.35
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020222741	1	48	0.0	-51.70	380.26	7.29	-44.41
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020222741	1	48	0.0	-48.73	380.91	7.34	-41.39
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C2C1	REAL300020222742	0	43	0.0	-47.15	333.59	6.38	-40.77
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C2C1	REAL300020222742	1	43	0.0	-46.38	333.37	6.38	-40.00
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(C1CCCCC1)C1CCCCC1	REAL300020222743	0	58	0.0	-41.55	401.55	8.67	-32.88
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(C1CCCCC1)C1CCCCC1	REAL300020222743	1	58	0.0	-47.21	409.90	8.93	-38.28
CN(CC1=CC=CC=C1Br)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222745	1	42	0.0	-44.51	346.91	6.51	-38.00
CN(CC1=CC=CC=C1Br)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222745	1	42	0.0	-47.77	346.41	6.47	-41.30
CC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222746	1	45	0.0	-46.00	356.04	6.97	-39.03
CC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222746	1	45	0.0	-48.34	355.30	6.91	-41.43
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCCCCCC1	REAL300020222749	1	48	0.0	-49.40	340.94	4.69	-44.71
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCCCCCC1	REAL300020222749	1	48	0.0	-44.91	342.20	4.65	-40.26
NC(=O)C1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222750	0	43	0.0	-55.19	330.81	0.98	-54.21
NC(=O)C1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222750	1	43	0.0	-58.62	330.16	0.94	-57.68
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C2OCCCOC2=C1	REAL300020222754	0	55	0.0	-50.80	421.86	7.54	-43.26
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C2OCCCOC2=C1	REAL300020222754	1	55	0.0	-50.52	422.02	7.55	-42.97
CCC1C2=C(CCN1C(=O)C[N@@H+]1CCC(C3=NN=N[N-]3)C1)SC=C2	REAL300020222755	1	46	0.0	-50.93	350.82	6.57	-44.36
CCC1C2=C(CCN1C(=O)C[N@H+]1CCC(C3=NN=N[N-]3)C1)SC=C2	REAL300020222755	1	46	0.0	-50.80	362.27	7.15	-43.65
COC1=CC=C2C(=C1)CCCN2C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222756	1	47	0.0	-49.70	357.63	6.01	-43.69
COC1=CC=C2C(=C1)CCCN2C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222756	1	47	0.0	-49.89	358.26	6.01	-43.88
CC(C(=O)NC1=CC=C(OC(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222757	1	43	0.0	-57.87	347.55	4.06	-53.81
CC(C(=O)NC1=CC=C(OC(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222757	1	43	0.0	-49.66	345.57	4.11	-45.55
O=C(NC1=CC=CC=C1)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222758	0	46	0.0	-57.07	367.98	7.53	-49.54
O=C(NC1=CC=CC=C1)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222758	1	46	0.0	-58.45	369.46	7.55	-50.90
CCOC(=O)C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=C(F)C=CC=C2S1	REAL300020222759	0	44	0.0	-37.04	364.77	8.33	-28.71
CCOC(=O)C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=C(F)C=CC=C2S1	REAL300020222759	1	44	0.0	-39.96	363.52	8.36	-31.60
CC(C)C1=CC=C(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222762	1	51	0.0	-47.48	398.94	6.85	-40.63
CC(C)C1=CC=C(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222762	1	51	0.0	-47.30	399.37	6.85	-40.45
COC1=CC=CC=C1CCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222763	1	46	0.0	-48.10	367.03	4.28	-43.82
COC1=CC=CC=C1CCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222763	1	46	0.0	-48.56	367.21	4.36	-44.20
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020222764	1	48	0.0	-52.12	375.91	7.19	-44.93
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020222764	1	48	0.0	-48.47	376.77	7.17	-41.30
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(OC(F)F)C=C1	REAL300020222765	1	46	0.0	-56.02	377.62	4.52	-51.50
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(OC(F)F)C=C1	REAL300020222765	1	46	0.0	-51.45	378.40	4.50	-46.95
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=C(F)C=C1)C1CCCCC1	REAL300020222768	1	55	0.0	-48.93	410.30	9.28	-39.65
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=C(F)C=C1)C1CCCCC1	REAL300020222768	1	55	0.0	-50.07	409.80	9.25	-40.82
CC1=CC=CC=C1CNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222771	1	42	0.0	-49.19	334.10	4.65	-44.54
CC1=CC=CC=C1CNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222771	1	42	0.0	-48.69	333.84	4.95	-43.74
COC1=CC=C(CNC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222772	0	50	0.0	-50.07	392.50	3.87	-46.20
COC1=CC=C(CNC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222772	1	50	0.0	-47.35	392.90	3.85	-43.50
CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222775	0	48	0.0	-51.29	371.66	5.89	-45.40
CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222775	1	48	0.0	-56.26	370.92	5.82	-50.44
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC2=CC=CC=C21	REAL300020222776	1	43	0.0	-47.90	328.11	6.73	-41.17
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC2=CC=CC=C21	REAL300020222776	1	43	0.0	-52.84	327.01	6.60	-46.24
COC1=CC=C(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222778	1	50	0.0	-57.35	397.11	4.13	-53.22
COC1=CC=C(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222778	1	50	0.0	-53.73	397.63	4.20	-49.53
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(F)C=C1	REAL300020222780	1	42	0.0	-54.44	344.77	5.01	-49.43
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(F)C=C1	REAL300020222780	1	42	0.0	-50.03	345.56	4.98	-45.05
CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222782	1	56	0.0	-47.34	415.97	8.23	-39.11
CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222782	1	56	0.0	-44.36	416.71	8.30	-36.06
CC(C)N(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222783	0	48	0.0	-47.47	361.83	7.35	-40.12
CC(C)N(CC1=CC=CC=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222783	1	48	0.0	-47.35	362.52	7.38	-39.97
CCN(C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222786	0	45	0.0	-43.00	333.44	6.38	-36.62
CCN(C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222786	1	45	0.0	-50.34	335.98	6.46	-43.88
C1=CSC(C2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)=C1	REAL300020222787	1	35	0.0	-45.04	306.65	5.90	-39.14
C1=CSC(C2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)=C1	REAL300020222787	1	35	0.0	-44.41	306.34	5.83	-38.58
CC(C(=O)N(C)C1CCS(=O)(=O)C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222788	1	45	0.0	-64.47	345.59	1.14	-63.33
CC(C(=O)N(C)C1CCS(=O)(=O)C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222788	1	45	0.0	-60.62	350.36	1.32	-59.30
CCN(C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020222789	1	48	0.0	-65.33	364.58	2.04	-63.29
CCN(C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020222789	1	48	0.0	-63.70	361.79	1.86	-61.84
FC1=CC2=C(OCOC2)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222790	0	38	0.0	-44.77	301.88	4.79	-39.98
FC1=CC2=C(OCOC2)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222790	1	38	0.0	-47.06	308.70	4.83	-42.23
CC1=CC(C(C)(C)C)=CC(C)=C1CCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222791	1	60	0.0	-52.18	447.66	8.27	-43.91
CC1=CC(C(C)(C)C)=CC(C)=C1CCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222791	1	60	0.0	-47.72	449.37	8.29	-39.43
CC(C)C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222795	0	47	0.0	-42.68	384.10	8.29	-34.39
CC(C)C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222795	1	47	0.0	-45.27	382.39	8.64	-36.63
CCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020222796	0	48	0.0	-47.58	350.29	6.60	-40.98
CCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020222796	1	48	0.0	-43.05	351.14	6.58	-36.47
OC(COC1=CC=C(Br)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222802	0	40	0.0	-50.85	341.40	3.60	-47.25
OC(COC1=CC=C(Br)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222802	1	40	0.0	-52.94	341.16	3.62	-49.32
N#CC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222803	0	41	0.0	-55.04	340.92	3.38	-51.66
N#CC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222803	1	41	0.0	-57.50	340.68	3.41	-54.09
COC1=CC=C(COCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222804	0	51	0.0	-55.17	404.07	2.66	-52.51
COC1=CC=C(COCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222804	1	51	0.0	-55.47	400.30	2.98	-52.49
CCC(=O)C1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222805	0	48	0.0	-56.69	383.01	4.27	-52.42
CCC(=O)C1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222805	1	48	0.0	-59.40	382.77	4.29	-55.11
CCOC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222806	0	47	0.0	-51.30	371.46	3.18	-48.12
CCOC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222806	1	47	0.0	-53.37	371.22	3.21	-50.16
COC1=CC(C(C)=O)=CC=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222807	0	49	0.0	-61.24	389.56	3.60	-57.64
COC1=CC(C(C)=O)=CC=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222807	1	49	0.0	-61.37	391.74	3.43	-57.94
OC(COC1=CC=C(F)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222808	0	40	0.0	-51.59	326.51	3.04	-48.55
OC(COC1=CC=C(F)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222808	1	40	0.0	-53.89	326.27	3.07	-50.82
CN(C)S(=O)(=O)C1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222809	0	47	0.0	-57.06	380.47	3.46	-53.60
CN(C)S(=O)(=O)C1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222809	1	47	0.0	-55.85	383.73	3.38	-52.47
CCOC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222810	0	43	0.0	-49.71	336.95	5.72	-43.99
CCOC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222810	1	43	0.0	-48.38	339.49	5.58	-42.80
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020222811	0	48	0.0	-49.11	380.32	5.75	-43.36
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020222811	1	48	0.0	-48.62	380.48	5.80	-42.82
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020222816	0	53	0.0	-55.48	408.33	6.22	-49.26
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020222816	1	53	0.0	-59.65	407.64	6.18	-53.47
CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222825	1	48	0.0	-49.27	375.59	3.67	-45.60
CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222825	1	48	0.0	-47.57	376.27	3.74	-43.83
NS(=O)(=O)C1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222827	0	41	0.0	-58.22	339.11	0.42	-57.80
NS(=O)(=O)C1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222827	1	41	0.0	-57.42	342.30	0.33	-57.09
C1=CC=C(C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2)C=C1	REAL300020222829	0	49	0.0	-47.25	385.40	9.80	-37.45
C1=CC=C(C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2)C=C1	REAL300020222829	1	49	0.0	-47.29	391.31	9.69	-37.60
O=S(=O)(C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)F	REAL300020222831	0	38	0.0	-54.87	331.15	3.54	-51.33
O=S(=O)(C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)F	REAL300020222831	1	38	0.0	-55.71	331.63	3.47	-52.24
BrC1=CC2=C(C=C1C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020222835	1	35	0.0	-46.99	300.31	4.87	-42.12
BrC1=CC2=C(C=C1C[N@H+]1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020222835	1	35	0.0	-48.24	301.34	4.82	-43.42
CC(C)C[N@@H+]1CCOC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C1	REAL300020222838	1	54	0.0	-69.17	404.73	1.68	-67.49
CC(C)C[N@H+]1CCOC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C1	REAL300020222838	1	54	0.0	-70.21	397.00	1.44	-68.77
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(CC2=CC=CC=C2)S1	REAL300020222840	1	41	0.0	-42.49	347.15	7.08	-35.41
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(CC2=CC=CC=C2)S1	REAL300020222840	1	41	0.0	-44.60	347.27	7.26	-37.34
BrC1=CC2=C(C=C1C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OCCO2	REAL300020222842	0	38	0.0	-45.66	318.91	5.39	-40.27
BrC1=CC2=C(C=C1C[N@H+]1CCC(C3=NN=N[N-]3)C1)OCCO2	REAL300020222842	1	38	0.0	-42.87	317.63	5.32	-37.55
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020222843	1	55	0.0	-47.85	431.50	10.79	-37.06
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020222843	1	55	0.0	-52.03	431.25	10.76	-41.27
CC1=CC(N(CCC#N)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020222845	1	49	0.0	-59.16	395.96	8.41	-50.75
CC1=CC(N(CCC#N)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020222845	1	49	0.0	-59.29	395.88	8.40	-50.89
COC1=CC=CC(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222847	1	46	0.0	-49.38	363.55	5.54	-43.84
COC1=CC=CC(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222847	1	46	0.0	-46.00	364.28	5.53	-40.47
CCOC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222848	0	45	0.0	-44.16	375.24	6.61	-37.55
CCOC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222848	1	45	0.0	-46.54	375.37	6.81	-39.73
CC1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222849	1	45	0.0	-52.35	344.51	6.12	-46.23
CC1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222849	1	45	0.0	-48.25	342.58	5.95	-42.30
FC1=CC=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020222850	0	38	0.0	-52.43	320.35	6.82	-45.61
FC1=CC=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020222850	1	38	0.0	-54.55	319.68	6.90	-47.65
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2CCCCC2)S1	REAL300020222851	1	44	0.0	-44.67	347.15	6.53	-38.14
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2CCCCC2)S1	REAL300020222851	1	44	0.0	-42.72	347.76	6.69	-36.03
N#CC1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCC2	REAL300020222852	0	47	0.0	-54.06	386.41	6.70	-47.36
N#CC1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCC2	REAL300020222852	1	47	0.0	-57.68	387.13	6.82	-50.86
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020222853	0	51	0.0	-60.04	393.06	6.00	-54.04
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020222853	1	51	0.0	-61.10	391.72	5.93	-55.17
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020222853	1	51	0.0	-60.01	392.99	6.00	-54.01
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020222853	1	51	0.0	-61.02	391.65	5.91	-55.11
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=NC=CC=N2)CC1	REAL300020222854	0	49	0.0	-55.74	379.95	5.47	-50.27
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=NC=CC=N2)CC1	REAL300020222854	1	49	0.0	-58.95	379.83	5.52	-53.43
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=NC=CC=N2)CC1	REAL300020222854	1	49	0.0	-55.71	379.88	5.47	-50.24
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=NC=CC=N2)CC1	REAL300020222854	1	49	0.0	-58.93	379.75	5.50	-53.43
ClC1=CC=C(OCC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222855	1	42	0.0	-48.98	370.93	6.41	-42.57
ClC1=CC=C(OCC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222855	1	42	0.0	-46.78	371.59	6.57	-40.21
CC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020222856	1	38	0.0	-46.74	328.22	5.32	-41.42
CC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020222856	1	38	0.0	-48.64	326.69	5.59	-43.05
N#CC1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020222857	0	37	0.0	-54.41	323.35	4.09	-50.32
N#CC1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020222857	1	37	0.0	-58.08	324.06	4.21	-53.87
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1F	REAL300020222858	0	39	0.0	-57.00	318.95	4.78	-52.22
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1F	REAL300020222858	1	39	0.0	-55.81	320.17	4.83	-50.98
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1F	REAL300020222858	1	39	0.0	-57.00	318.88	4.77	-52.23
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1F	REAL300020222858	1	39	0.0	-55.78	320.10	4.83	-50.95
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OCOC2=C1	REAL300020222859	0	42	0.0	-59.23	339.64	3.31	-55.92
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OCOC2=C1	REAL300020222859	1	42	0.0	-56.61	339.55	3.27	-53.34
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OCOC2=C1	REAL300020222859	1	42	0.0	-59.15	339.56	3.30	-55.85
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OCOC2=C1	REAL300020222859	1	42	0.0	-56.54	339.49	3.25	-53.29
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1	REAL300020222860	0	39	0.0	-54.09	334.78	5.22	-48.87
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1	REAL300020222860	1	39	0.0	-59.23	335.54	5.35	-53.88
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1	REAL300020222860	1	39	0.0	-53.97	334.71	5.22	-48.75
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1	REAL300020222860	1	39	0.0	-59.21	335.46	5.35	-53.86
CC(C(=O)NC1=CC=CC(Cl)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222872	1	39	0.0	-53.29	325.08	5.16	-48.13
CC(C(=O)NC1=CC=CC(Cl)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222872	1	39	0.0	-45.78	324.61	5.05	-40.73
CC(C(=O)NC1=CC=C(Cl)C(C(F)(F)F)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222879	1	42	0.0	-58.27	359.64	5.95	-52.32
CC(C(=O)NC1=CC=C(Cl)C(C(F)(F)F)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222879	1	42	0.0	-50.80	358.87	5.97	-44.83
CC(C(=O)NC1=CC=C(C(F)(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222880	1	42	0.0	-57.78	347.01	5.49	-52.29
CC(C(=O)NC1=CC=C(C(F)(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222880	1	42	0.0	-57.94	346.24	5.51	-52.43
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=N2)S1	REAL300020222881	1	37	0.0	-45.50	319.36	4.51	-40.99
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=N2)S1	REAL300020222881	1	37	0.0	-49.00	317.64	4.85	-44.15
CC(C(=O)NCC1=CC=C(Cl)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222884	0	42	0.0	-43.93	350.74	5.19	-38.74
CC(C(=O)NCC1=CC=C(Cl)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222884	1	42	0.0	-44.10	350.88	5.18	-38.92
CC(C(=O)NC1=CC=CC(Br)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222885	1	39	0.0	-53.25	329.64	5.27	-47.98
CC(C(=O)NC1=CC=CC(Br)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222885	1	39	0.0	-45.79	329.17	5.15	-40.64
CC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222886	1	45	0.0	-48.13	346.97	6.08	-42.05
CC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222886	1	45	0.0	-46.63	345.95	6.09	-40.54
CC(C(=O)NC1=CC=CC(F)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222887	1	39	0.0	-54.27	314.75	4.71	-49.56
CC(C(=O)NC1=CC=CC(F)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222887	1	39	0.0	-46.70	314.29	4.60	-42.10
CC1=C(Cl)C=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222888	1	42	0.0	-51.99	340.88	5.99	-46.00
CC1=C(Cl)C=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222888	1	42	0.0	-48.65	339.66	5.85	-42.80
CC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020222893	1	42	0.0	-46.73	334.48	5.25	-41.48
CC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020222893	1	42	0.0	-47.88	333.71	5.25	-42.63
CC1=CC=C(Cl)C=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222895	1	42	0.0	-54.68	343.56	6.07	-48.61
CC1=CC=C(Cl)C=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222895	1	42	0.0	-53.31	341.58	5.94	-47.37
CC1=CC=CC(C)=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222896	1	45	0.0	-44.09	344.95	6.13	-37.96
CC1=CC=CC(C)=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222896	1	45	0.0	-46.69	342.98	6.16	-40.53
CC1=CC=C(OCC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222898	1	45	0.0	-48.55	375.60	6.56	-41.99
CC1=CC=C(OCC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222898	1	45	0.0	-46.20	376.26	6.72	-39.48
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CC=C1)C1=CC=CC=C1	REAL300020222900	1	49	0.0	-42.26	392.98	9.68	-32.58
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CC=C1)C1=CC=CC=C1	REAL300020222900	1	49	0.0	-43.89	393.07	9.59	-34.30
ClC1=CC=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020222901	0	38	0.0	-51.81	330.67	7.27	-44.54
ClC1=CC=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020222901	1	38	0.0	-53.87	330.00	7.35	-46.52
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1Cl	REAL300020222902	0	39	0.0	-56.50	328.01	5.32	-51.18
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1Cl	REAL300020222902	1	39	0.0	-55.40	329.23	5.36	-50.04
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1Cl	REAL300020222902	1	39	0.0	-56.50	327.93	5.30	-51.20
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1Cl	REAL300020222902	1	39	0.0	-55.32	329.16	5.36	-49.96
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Cl)=C1	REAL300020222903	0	39	0.0	-55.63	330.27	5.18	-50.45
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Cl)=C1	REAL300020222903	1	39	0.0	-57.09	330.55	5.14	-51.95
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Cl)=C1	REAL300020222903	1	39	0.0	-55.60	330.20	5.16	-50.44
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Cl)=C1	REAL300020222903	1	39	0.0	-57.09	330.48	5.12	-51.97
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(F)=C1	REAL300020222904	0	39	0.0	-56.29	319.95	4.73	-51.56
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(F)=C1	REAL300020222904	1	39	0.0	-57.67	320.24	4.68	-52.99
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(F)=C1	REAL300020222904	1	39	0.0	-56.22	319.88	4.71	-51.51
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(F)=C1	REAL300020222904	1	39	0.0	-57.63	320.17	4.67	-52.96
COC1=CC=C(Cl)C=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222905	0	43	0.0	-52.81	358.21	4.53	-48.28
COC1=CC=C(Cl)C=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222905	1	43	0.0	-57.75	359.78	4.66	-53.09
COC1=CC=C(Cl)C=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222905	1	43	0.0	-52.81	358.14	4.52	-48.29
COC1=CC=C(Cl)C=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222905	1	43	0.0	-57.71	359.71	4.65	-53.06
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1F	REAL300020222906	0	39	0.0	-57.00	318.95	4.78	-52.22
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1F	REAL300020222906	1	39	0.0	-55.81	320.17	4.83	-50.98
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1F	REAL300020222906	1	39	0.0	-57.00	318.88	4.77	-52.23
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1F	REAL300020222906	1	39	0.0	-55.78	320.10	4.83	-50.95
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1F	REAL300020222907	0	39	0.0	-57.50	335.67	5.31	-52.19
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1F	REAL300020222907	1	39	0.0	-56.31	336.89	5.35	-50.96
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1F	REAL300020222907	1	39	0.0	-57.46	335.60	5.29	-52.17
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1F	REAL300020222907	1	39	0.0	-56.31	336.82	5.35	-50.96
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1F	REAL300020222908	0	39	0.0	-57.54	340.23	5.41	-52.13
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1F	REAL300020222908	1	39	0.0	-56.35	341.45	5.46	-50.89
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1F	REAL300020222908	1	39	0.0	-57.49	340.16	5.40	-52.09
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1F	REAL300020222908	1	39	0.0	-56.34	341.38	5.45	-50.89
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC=C1Cl	REAL300020222909	0	42	0.0	-49.83	353.98	5.13	-44.70
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC=C1Cl	REAL300020222909	1	42	0.0	-54.73	354.73	5.26	-49.47
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC=C1Cl	REAL300020222909	1	42	0.0	-49.81	353.91	5.13	-44.68
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC=C1Cl	REAL300020222909	1	42	0.0	-54.66	354.65	5.26	-49.40
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCCC2=CC=CC=C21	REAL300020222910	0	49	0.0	-54.02	372.79	6.47	-47.55
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCCC2=CC=CC=C21	REAL300020222910	1	49	0.0	-57.25	372.21	6.48	-50.77
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1CCCC2=CC=CC=C21	REAL300020222910	1	49	0.0	-53.96	372.72	6.45	-47.51
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1CCCC2=CC=CC=C21	REAL300020222910	1	49	0.0	-57.23	372.14	6.47	-50.76
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C21	REAL300020222911	0	43	0.0	-50.48	334.02	6.55	-43.93
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C21	REAL300020222911	1	43	0.0	-55.85	334.77	6.68	-49.17
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C21	REAL300020222911	1	43	0.0	-50.40	333.95	6.54	-43.86
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C21	REAL300020222911	1	43	0.0	-55.77	334.70	6.67	-49.10
CC(C(=O)NCCC1=CNC2=CC=CC=C12)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222914	0	49	0.0	-47.02	387.42	5.51	-41.51
CC(C(=O)NCCC1=CNC2=CC=CC=C12)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222914	1	49	0.0	-55.41	386.28	5.53	-49.88
CC(C(=O)NC1=CC=CC(N2CCCC2=O)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222916	1	50	0.0	-55.62	385.84	5.76	-49.86
CC(C(=O)NC1=CC=CC(N2CCCC2=O)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222916	1	50	0.0	-48.00	385.43	5.63	-42.37
CCCN(C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020222917	1	51	0.0	-57.59	388.34	3.01	-54.58
CCCN(C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020222917	1	51	0.0	-52.55	389.49	3.08	-49.47
CC(C(=O)N(C)CCOC1=CC=C(Cl)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222918	0	49	0.0	-49.93	389.02	6.53	-43.40
CC(C(=O)N(C)CCOC1=CC=C(Cl)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222918	1	49	0.0	-46.68	394.23	6.75	-39.93
O=[N+]([O-])C1=CC=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222927	0	38	0.0	-59.04	313.06	6.23	-52.81
O=[N+]([O-])C1=CC=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222927	1	38	0.0	-61.12	315.54	5.96	-55.16
COC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C(OC)=C1	REAL300020222929	1	46	0.0	-45.47	379.52	5.32	-40.15
COC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C(OC)=C1	REAL300020222929	1	46	0.0	-46.34	377.96	5.58	-40.76
COC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222930	1	36	0.0	-42.82	301.51	5.74	-37.08
COC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222930	1	36	0.0	-42.72	306.14	5.58	-37.14
CC1=CC=C(C)C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222931	0	45	0.0	-48.91	351.61	7.39	-41.52
CC1=CC=C(C)C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222931	1	45	0.0	-50.15	350.91	7.45	-42.70
CC1=CC=C(C)C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222931	1	45	0.0	-48.84	351.54	7.38	-41.46
CC1=CC=C(C)C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222931	1	45	0.0	-50.11	350.84	7.44	-42.67
BrC1=CC=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222932	0	36	0.0	-48.41	306.15	6.18	-42.23
BrC1=CC=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222932	1	36	0.0	-52.00	308.63	5.91	-46.09
CSC1=CC2=NC(Cl)=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222933	0	41	0.0	-49.86	352.84	7.49	-42.37
CSC1=CC2=NC(Cl)=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222933	1	41	0.0	-57.72	353.17	7.38	-50.34
CC1=CC=C(NC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222935	1	43	0.0	-42.63	356.17	6.59	-36.04
CC1=CC=C(NC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222935	1	43	0.0	-45.09	356.17	6.78	-38.31
CCOC(=O)C1=C(C)C2=CC=CC=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222936	0	49	0.0	-41.11	391.65	8.13	-32.98
CCOC(=O)C1=C(C)C2=CC=CC=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222936	1	49	0.0	-41.17	391.77	8.13	-33.04
COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020222938	0	38	0.0	-64.09	313.60	6.29	-57.80
COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020222938	1	38	0.0	-60.71	311.73	6.28	-54.43
ClC1=CN2C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020222943	0	35	0.0	-48.61	302.30	6.60	-42.01
ClC1=CN2C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020222943	1	35	0.0	-44.70	302.93	6.66	-38.04
BrC1=CN2C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020222945	0	35	0.0	-48.68	306.86	6.71	-41.97
BrC1=CN2C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020222945	1	35	0.0	-44.75	307.50	6.76	-37.99
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020222946	0	39	0.0	-51.97	323.62	4.66	-47.31
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020222946	1	39	0.0	-52.01	322.33	4.72	-47.29
C1=CC=C(CCOCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222947	0	45	0.0	-47.74	357.43	7.24	-40.50
C1=CC=C(CCOCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222947	1	45	0.0	-48.10	356.96	7.27	-40.83
C1=CC=C(CCOCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222947	1	45	0.0	-47.74	357.36	7.22	-40.52
C1=CC=C(CCOCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222947	1	45	0.0	-48.04	356.89	7.27	-40.77
C1=CC=C(N2N=NN=C2CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222948	0	40	0.0	-58.91	326.02	5.59	-53.32
C1=CC=C(N2N=NN=C2CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222948	1	40	0.0	-62.32	325.55	5.61	-56.71
C1=CC=C(N2N=NN=C2CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222948	1	40	0.0	-58.90	325.94	5.57	-53.33
C1=CC=C(N2N=NN=C2CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222948	1	40	0.0	-62.30	325.47	5.60	-56.70
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222949	0	55	0.0	-53.84	406.41	5.67	-48.17
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222949	1	55	0.0	-58.96	402.99	5.60	-53.36
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCN(C(=O)C2CCCCC2)CC1	REAL300020222950	1	59	0.0	-52.83	435.98	5.86	-46.97
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCN(C(=O)C2CCCCC2)CC1	REAL300020222950	1	59	0.0	-55.33	435.61	5.86	-49.47
CC1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C1	REAL300020222953	0	59	0.0	-55.07	432.55	6.92	-48.15
CC1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C1	REAL300020222953	1	59	0.0	-57.43	430.99	6.84	-50.59
CC1=CC=CC(N(CCC#N)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222954	1	49	0.0	-56.08	392.32	8.80	-47.28
CC1=CC=CC(N(CCC#N)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222954	1	49	0.0	-59.76	391.36	8.81	-50.95
CS(=O)(=O)C1=CC=C(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222955	0	42	0.0	-58.34	345.69	1.06	-57.28
CS(=O)(=O)C1=CC=C(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222955	1	42	0.0	-60.02	344.50	1.24	-58.78
O=[N+]([O-])C1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222956	0	38	0.0	-57.41	307.57	6.63	-50.78
O=[N+]([O-])C1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222956	1	38	0.0	-61.52	313.35	6.70	-54.82
CC1=C(C)C=C2C(=C1)N=CN2CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222957	0	48	0.0	-61.82	371.89	6.26	-55.56
CC1=C(C)C=C2C(=C1)N=CN2CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222957	1	48	0.0	-59.19	373.18	6.37	-52.82
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCN1CCCCCC1=O	REAL300020222961	1	52	0.0	-56.32	395.44	4.38	-51.94
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCN1CCCCCC1=O	REAL300020222961	1	52	0.0	-54.64	395.28	4.36	-50.28
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)N2CCCCCC2)CC1	REAL300020222962	0	59	0.0	-53.71	424.44	7.25	-46.46
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)N2CCCCCC2)CC1	REAL300020222962	1	59	0.0	-57.04	426.28	7.24	-49.80
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)N2CCCC2)CC1	REAL300020222963	0	53	0.0	-53.83	398.45	5.60	-48.23
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)N2CCCC2)CC1	REAL300020222963	1	53	0.0	-57.36	397.79	5.53	-51.83
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)C2CC2)CC1	REAL300020222964	0	47	0.0	-55.99	360.71	4.71	-51.28
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)C2CC2)CC1	REAL300020222964	1	47	0.0	-55.76	360.84	4.74	-51.02
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CC=C1)C1CC1	REAL300020222965	0	46	0.0	-47.89	356.91	7.52	-40.37
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CC=C1)C1CC1	REAL300020222965	1	46	0.0	-49.81	354.99	7.61	-42.20
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222966	0	45	0.0	-43.88	373.41	7.87	-36.01
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222966	1	45	0.0	-44.86	372.78	7.94	-36.92
FC(F)(F)C1=CC=CC(OCCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222968	0	45	0.0	-50.96	370.52	7.75	-43.21
FC(F)(F)C1=CC=CC(OCCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222968	1	45	0.0	-53.68	370.87	7.86	-45.82
FC(F)(F)C1=CC=CC(OCCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222968	1	45	0.0	-50.92	370.45	7.74	-43.18
FC(F)(F)C1=CC=CC(OCCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222968	1	45	0.0	-53.63	370.80	7.85	-45.78
FC(F)(F)COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222969	0	39	0.0	-50.82	328.18	6.31	-44.51
FC(F)(F)COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222969	1	39	0.0	-51.21	327.10	6.22	-44.99
FC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020222970	1	32	0.0	-53.72	284.91	6.19	-47.53
FC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020222970	1	32	0.0	-53.73	285.04	6.21	-47.52
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1	REAL300020222971	0	43	0.0	-57.46	347.00	6.16	-51.30
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1	REAL300020222971	1	43	0.0	-59.62	345.98	6.23	-53.39
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCC2=C(C=CS2)C1	REAL300020222971	1	43	0.0	-57.42	346.93	6.15	-51.27
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCC2=C(C=CS2)C1	REAL300020222971	1	43	0.0	-59.53	345.90	6.21	-53.32
O=C(C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1)N1CCCCC1	REAL300020222972	0	49	0.0	-50.56	372.47	7.51	-43.05
O=C(C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1)N1CCCCC1	REAL300020222972	1	49	0.0	-55.23	373.96	7.51	-47.72
O=C(NCC1=CC=CO1)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222974	0	46	0.0	-53.49	376.61	5.79	-47.70
O=C(NCC1=CC=CO1)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222974	1	46	0.0	-51.05	374.05	5.81	-45.24
ClC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020222977	0	37	0.0	-45.25	306.96	7.00	-38.25
ClC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020222977	1	37	0.0	-47.80	313.57	6.55	-41.25
ClC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C2C=C1	REAL300020222978	0	37	0.0	-38.31	308.24	6.81	-31.50
ClC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C2C=C1	REAL300020222978	1	37	0.0	-39.16	307.01	6.96	-32.20
ClC1=CC2=CC=CN=C2C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222979	0	37	0.0	-41.88	314.98	6.80	-35.08
ClC1=CC2=CC=CN=C2C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222979	1	37	0.0	-44.71	315.77	6.64	-38.07
CC(C1=NN=NN1C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222980	1	40	0.0	-57.06	319.94	4.75	-52.31
CC(C1=NN=NN1C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222980	1	40	0.0	-48.30	320.94	4.89	-43.41
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020222981	0	39	0.0	-47.14	311.47	4.02	-43.12
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020222981	1	39	0.0	-46.95	310.43	3.95	-43.00
CC(C1=CC=C(Cl)C(Cl)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222982	0	35	0.0	-49.36	305.77	7.22	-42.14
CC(C1=CC=C(Cl)C(Cl)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222982	1	35	0.0	-51.84	305.40	7.17	-44.67
CC(C1=CC=C(Cl)C=C1Cl)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222983	0	35	0.0	-46.01	302.27	7.02	-38.99
CC(C1=CC=C(Cl)C=C1Cl)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222983	1	35	0.0	-45.83	300.35	6.94	-38.89
CN1C=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=N1	REAL300020222984	1	38	0.0	-50.13	327.18	4.18	-45.95
CN1C=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=N1	REAL300020222984	1	38	0.0	-48.01	327.79	4.32	-43.69
CN(C)C(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222990	0	42	0.0	-55.31	327.38	5.23	-50.08
CN(C)C(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222990	1	42	0.0	-51.80	326.30	5.39	-46.41
C1=CC2=CC=CC(OCCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020222991	0	45	0.0	-50.67	355.17	8.31	-42.36
C1=CC2=CC=CC(OCCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020222991	1	45	0.0	-50.61	354.91	8.29	-42.32
C1=CC2=CC=CC(OCCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020222991	1	45	0.0	-50.65	355.10	8.30	-42.35
C1=CC2=CC=CC(OCCC[N@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020222991	1	45	0.0	-50.60	354.85	8.28	-42.32
COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1OC	REAL300020222992	0	40	0.0	-51.16	337.32	5.53	-45.63
COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1OC	REAL300020222992	1	40	0.0	-45.88	336.85	5.55	-40.33
FC(F)(F)COC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222993	0	39	0.0	-49.04	329.40	6.24	-42.80
FC(F)(F)COC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222993	1	39	0.0	-48.16	326.36	6.23	-41.93
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC=N2)CC1	REAL300020222994	0	50	0.0	-58.81	383.53	5.30	-53.51
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC=N2)CC1	REAL300020222994	1	50	0.0	-59.00	383.48	5.29	-53.71
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=CC=N2)CC1	REAL300020222994	1	50	0.0	-58.78	383.46	5.29	-53.49
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=CC=N2)CC1	REAL300020222994	1	50	0.0	-58.97	383.40	5.27	-53.70
CC(C1=CC=CC=C1Br)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222995	0	35	0.0	-41.50	285.87	6.51	-34.99
CC(C1=CC=CC=C1Br)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222995	1	35	0.0	-39.13	288.87	6.57	-32.56
CC(C)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C(C)C)=C1	REAL300020222997	0	50	0.0	-43.43	371.80	9.39	-34.04
CC(C)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C(C)C)=C1	REAL300020222997	1	50	0.0	-43.85	373.37	9.34	-34.51
CC(C)C1=CC=C(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C(C(C)C)=C1	REAL300020222997	1	50	0.0	-43.38	371.73	9.38	-34.00
CC(C)C1=CC=C(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C(C(C)C)=C1	REAL300020222997	1	50	0.0	-43.78	373.31	9.33	-34.45
CC(C1=CC=C(OC(F)(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222998	0	39	0.0	-46.72	318.65	5.99	-40.73
CC(C1=CC=C(OC(F)(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222998	1	39	0.0	-46.37	320.43	6.10	-40.27
CC(C)(C)OC(=O)N1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222999	0	53	0.0	-52.37	397.85	5.04	-47.33
CC(C)(C)OC(=O)N1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222999	1	53	0.0	-52.32	398.01	5.09	-47.23
CC1=CC=C(N(CCC#N)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223002	1	49	0.0	-59.14	391.58	8.26	-50.88
CC1=CC=C(N(CCC#N)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223002	1	49	0.0	-56.19	392.27	8.34	-47.85
CC1=CC=C(C2=NOC(CCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1F	REAL300020223003	0	46	0.0	-56.17	379.33	6.51	-49.66
CC1=CC=C(C2=NOC(CCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1F	REAL300020223003	1	46	0.0	-54.65	379.56	6.52	-48.13
CC1=CC=C(C2=NOC(CCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)=N2)C=C1F	REAL300020223003	1	46	0.0	-56.11	379.27	6.50	-49.61
CC1=CC=C(C2=NOC(CCC[N@H+]3CCC(C4=N[N-]N=N4)C3)=N2)C=C1F	REAL300020223003	1	46	0.0	-54.64	379.49	6.51	-48.13
CC(C(=O)N1CCC2=C(C=CS2)C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223005	0	43	0.0	-44.33	336.65	5.80	-38.53
CC(C(=O)N1CCC2=C(C=CS2)C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223005	1	43	0.0	-53.20	335.40	5.79	-47.41
CC1(C)NC(=O)N(CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020223006	0	43	0.0	-49.55	343.47	2.68	-46.87
CC1(C)NC(=O)N(CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020223006	1	43	0.0	-51.09	342.82	2.73	-48.36
CC1(C)NC(=O)N(CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020223006	1	43	0.0	-49.52	343.40	2.67	-46.85
CC1(C)NC(=O)N(CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020223006	1	43	0.0	-51.08	342.75	2.73	-48.35
CC(C)CCC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223008	1	43	0.0	-44.79	346.42	6.13	-38.66
CC(C)CCC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223008	1	43	0.0	-43.97	347.93	6.32	-37.65
C1=CC2=CC=CC(OCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020223009	0	42	0.0	-49.73	330.81	7.83	-41.90
C1=CC2=CC=CC(OCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020223009	1	42	0.0	-51.26	332.37	7.62	-43.64
BrC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223010	0	38	0.0	-51.44	337.27	4.67	-46.77
BrC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223010	1	38	0.0	-46.52	337.31	4.72	-41.80
COC(=O)C1=CC=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223011	0	42	0.0	-54.93	339.64	6.22	-48.71
COC(=O)C1=CC=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223011	1	42	0.0	-57.45	342.12	5.95	-51.50
COC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C(OC)=C1	REAL300020223012	1	46	0.0	-45.47	379.52	5.32	-40.15
COC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C(OC)=C1	REAL300020223012	1	46	0.0	-46.34	377.96	5.58	-40.76
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2CCCC2)S1	REAL300020223013	1	41	0.0	-44.70	328.20	5.86	-38.84
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2CCCC2)S1	REAL300020223013	1	41	0.0	-42.82	328.81	6.02	-36.80
O=[N+]([O-])C1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223014	0	38	0.0	-59.09	313.09	6.13	-52.96
O=[N+]([O-])C1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223014	1	38	0.0	-57.90	316.35	6.04	-51.86
ClC1=CC=CC(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223015	0	39	0.0	-48.94	326.68	6.50	-42.44
ClC1=CC=CC(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223015	1	39	0.0	-51.54	326.64	6.54	-45.00
ClC1=CC=CC(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223015	1	39	0.0	-48.91	326.61	6.48	-42.43
ClC1=CC=CC(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223015	1	39	0.0	-51.56	326.57	6.53	-45.03
FC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223016	1	32	0.0	-43.31	279.22	6.01	-37.30
FC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223016	1	32	0.0	-43.98	285.74	6.33	-37.65
BrC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020223017	0	29	0.0	-42.14	261.92	5.10	-37.04
BrC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020223017	1	29	0.0	-42.93	268.26	5.25	-37.68
FC(F)(F)C1=CC=CC=C1OCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223018	0	45	0.0	-51.23	368.94	7.83	-43.40
FC(F)(F)C1=CC=CC=C1OCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223018	1	45	0.0	-53.70	369.38	7.86	-45.84
FC(F)(F)C1=CC=CC=C1OCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223018	1	45	0.0	-51.16	368.88	7.82	-43.34
FC(F)(F)C1=CC=CC=C1OCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223018	1	45	0.0	-53.65	369.32	7.84	-45.81
FC(F)OC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223021	1	36	0.0	-47.46	316.91	5.92	-41.54
FC(F)OC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223021	1	36	0.0	-46.02	315.96	5.85	-40.17
FC(F)(F)C1=CC=CC(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223022	0	42	0.0	-52.00	349.00	6.99	-45.01
FC(F)(F)C1=CC=CC(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223022	1	42	0.0	-52.86	348.63	7.02	-45.84
FC(F)(F)C1=CC=CC(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223022	1	42	0.0	-51.94	348.93	6.97	-44.97
FC(F)(F)C1=CC=CC(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223022	1	42	0.0	-52.80	348.56	7.02	-45.78
ClC1=CC(Br)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223023	1	32	0.0	-47.47	290.52	6.65	-40.82
ClC1=CC(Br)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223023	1	32	0.0	-48.52	293.32	6.68	-41.84
C1=CC(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020223024	0	42	0.0	-54.08	336.01	4.63	-49.45
C1=CC(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020223024	1	42	0.0	-54.99	335.98	4.67	-50.32
C1=CC(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=CC2=C1OCO2	REAL300020223024	1	42	0.0	-54.00	335.95	4.61	-49.39
C1=CC(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=CC2=C1OCO2	REAL300020223024	1	42	0.0	-54.92	335.91	4.66	-50.26
CS(=O)(=O)C1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223025	0	45	0.0	-58.53	371.05	3.50	-55.03
CS(=O)(=O)C1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223025	1	45	0.0	-58.18	370.64	3.47	-54.71
CS(=O)(=O)C1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223025	1	45	0.0	-58.49	370.98	3.49	-55.00
CS(=O)(=O)C1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223025	1	45	0.0	-58.15	370.57	3.46	-54.69
FC(F)(F)C1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223026	0	39	0.0	-50.53	320.42	6.51	-44.02
FC(F)(F)C1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223026	1	39	0.0	-53.71	324.81	6.38	-47.33
C1=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=CS1	REAL300020223027	1	35	0.0	-46.62	313.55	5.31	-41.31
C1=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=CS1	REAL300020223027	1	35	0.0	-44.57	314.16	5.48	-39.09
BrC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020223029	1	35	0.0	-53.19	305.24	4.82	-48.37
BrC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020223029	1	35	0.0	-52.70	304.53	4.89	-47.81
COC1=CC=CC(OC)=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223030	0	48	0.0	-49.87	382.88	2.87	-47.00
COC1=CC=CC(OC)=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223030	1	48	0.0	-50.75	382.27	2.81	-47.94
OC(COC1=CC=CC(C(F)(F)F)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223031	0	43	0.0	-54.75	356.41	4.17	-50.58
OC(COC1=CC=CC(C(F)(F)F)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223031	1	43	0.0	-55.25	354.71	4.31	-50.94
FC1=CC=CC(N2C=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020223032	1	39	0.0	-46.64	324.91	6.78	-39.86
FC1=CC=CC(N2C=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020223032	1	39	0.0	-49.63	323.13	6.95	-42.68
CC(C)OC(=O)CC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223033	1	43	0.0	-44.08	363.38	5.67	-38.41
CC(C)OC(=O)CC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223033	1	43	0.0	-46.40	363.61	5.85	-40.55
O=S(=O)(NCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223034	1	40	0.0	-57.53	335.50	2.05	-55.48
O=S(=O)(NCC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223034	1	40	0.0	-57.14	334.70	1.97	-55.17
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=C(C=C2)OCO3)S1	REAL300020223036	0	41	0.0	-50.34	348.57	5.05	-45.29
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=C(C=C2)OCO3)S1	REAL300020223036	1	41	0.0	-48.86	349.17	5.21	-43.65
CC(C(=O)N1CCCC(C(N)=O)C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223037	0	46	0.0	-58.95	348.18	1.26	-57.69
CC(C(=O)N1CCCC(C(N)=O)C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223037	1	46	0.0	-53.16	348.16	1.25	-51.91
C[N@@H+](CC1=CC=CC=C1)CC(O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223042	0	47	0.0	-61.65	357.49	3.09	-58.56
C[N@H+](CC1=CC=CC=C1)CC(O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223042	1	47	0.0	-59.21	361.07	2.65	-56.56
CN(CC1=CC=CC=C1)CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223042	1	47	0.0	-48.53	360.86	3.04	-45.49
CN(CC1=CC=CC=C1)CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223042	1	47	0.0	-48.70	359.19	3.24	-45.46
C[N@@H+](CC1=CC=CC=C1)CC(O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223042	1	47	0.0	-61.66	357.57	3.11	-58.55
C[N@H+](CC1=CC=CC=C1)CC(O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223042	1	47	0.0	-59.24	361.14	2.65	-56.59
CC(C)N1N=CC2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020223043	0	43	0.0	-55.06	345.02	6.23	-48.83
CC(C)N1N=CC2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020223043	1	43	0.0	-55.53	343.19	6.21	-49.32
CC(C)CNC(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223044	0	48	0.0	-48.56	376.41	6.18	-42.38
CC(C)CNC(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223044	1	48	0.0	-49.95	373.76	6.17	-43.78
FC1=CC=CC=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223045	1	38	0.0	-45.22	328.31	6.69	-38.53
FC1=CC=CC=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223045	1	38	0.0	-47.17	326.74	6.95	-40.22
CN(CC1=CN(C)N=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223046	1	42	0.0	-50.84	337.77	4.05	-46.79
CN(CC1=CN(C)N=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223046	1	42	0.0	-50.75	337.63	4.04	-46.71
C1=CC2=CC=C(OCCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020223047	0	45	0.0	-51.11	355.96	8.27	-42.84
C1=CC2=CC=C(OCCC[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020223047	1	45	0.0	-52.05	355.93	8.30	-43.75
C1=CC2=CC=C(OCCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020223047	1	45	0.0	-51.06	355.89	8.25	-42.81
C1=CC2=CC=C(OCCC[N@H+]3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020223047	1	45	0.0	-52.01	355.86	8.30	-43.71
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(F)=C1	REAL300020223048	0	39	0.0	-56.29	319.95	4.73	-51.56
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(F)=C1	REAL300020223048	1	39	0.0	-57.67	320.24	4.68	-52.99
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(F)=C1	REAL300020223048	1	39	0.0	-56.22	319.88	4.71	-51.51
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(F)=C1	REAL300020223048	1	39	0.0	-57.63	320.17	4.67	-52.96
CS(=O)(=O)C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223050	1	44	0.0	-52.56	384.59	3.91	-48.65
CS(=O)(=O)C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223050	1	44	0.0	-55.40	384.73	4.11	-51.29
ClC1=CC=CC=C1SCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223051	0	39	0.0	-50.92	335.72	8.06	-42.86
ClC1=CC=CC=C1SCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223051	1	39	0.0	-51.03	335.21	8.05	-42.98
ClC1=CC=CC=C1SCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223051	1	39	0.0	-50.88	335.66	8.05	-42.83
ClC1=CC=CC=C1SCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223051	1	39	0.0	-50.98	335.15	8.03	-42.95
COCCS(=O)(=O)CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223052	1	41	0.0	-59.20	338.36	0.93	-58.27
COCCS(=O)(=O)CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223052	1	41	0.0	-59.52	339.55	0.98	-58.54
CC(C1=CC=C(C(F)(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223054	0	38	0.0	-51.38	312.23	7.19	-44.19
CC(C1=CC=C(C(F)(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223054	1	38	0.0	-47.99	313.13	7.31	-40.68
O=C1ON=C(C2=CC=CC=C2)N1CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223056	0	45	0.0	-64.21	363.55	4.78	-59.43
O=C1ON=C(C2=CC=CC=C2)N1CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223056	1	45	0.0	-60.75	358.62	5.27	-55.48
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223057	0	57	0.0	-66.83	417.52	7.27	-59.56
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223057	1	57	0.0	-64.58	417.51	7.05	-57.53
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223057	1	57	0.0	-66.84	417.59	7.27	-59.57
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223057	1	57	0.0	-64.67	417.58	7.07	-57.60
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCC1CCCCC1	REAL300020223058	0	48	0.0	-55.34	362.42	5.26	-50.08
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NCC1CCCCC1	REAL300020223058	1	48	0.0	-55.36	362.42	5.25	-50.11
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NCC1CCCCC1	REAL300020223058	1	48	0.0	-55.27	362.35	5.26	-50.01
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NCC1CCCCC1	REAL300020223058	1	48	0.0	-55.36	362.35	5.25	-50.11
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1SC	REAL300020223059	0	40	0.0	-49.84	326.90	5.89	-43.95
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1SC	REAL300020223059	1	40	0.0	-50.43	326.08	5.96	-44.47
FC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1F	REAL300020223060	0	38	0.0	-52.66	327.89	4.17	-48.49
FC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1F	REAL300020223060	1	38	0.0	-49.55	328.66	4.23	-45.32
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020223062	0	36	0.0	-50.54	306.28	4.17	-46.37
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020223062	1	36	0.0	-51.59	305.08	4.34	-47.25
CC(C)OC1=CC=C([N+](=O)[O-])C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223063	0	44	0.0	-49.75	348.15	7.32	-42.43
CC(C)OC1=CC=C([N+](=O)[O-])C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223063	1	44	0.0	-49.75	355.40	7.21	-42.54
CN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300020223064	1	52	0.0	-51.85	405.84	9.43	-42.42
CN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300020223064	1	52	0.0	-48.18	407.56	9.58	-38.60
CC(OCCCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223065	1	52	0.0	-47.76	413.50	5.75	-42.01
CC(OCCCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223065	1	52	0.0	-47.67	413.92	5.74	-41.93
CC1=CC=CC(OCCCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223066	1	49	0.0	-48.67	390.09	5.18	-43.49
CC1=CC=CC(OCCCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223066	1	49	0.0	-48.63	390.53	5.18	-43.45
CN(CCCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020223068	1	46	0.0	-57.23	374.66	-0.11	-57.34
CN(CCCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020223068	1	46	0.0	-56.81	375.08	-0.12	-56.93
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(C(F)(F)F)C=C1	REAL300020223070	1	43	0.0	-51.73	350.56	6.78	-44.95
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(C(F)(F)F)C=C1	REAL300020223070	1	43	0.0	-51.51	349.58	6.87	-44.64
COC1=CC=C(COCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223071	0	43	0.0	-45.71	340.52	5.32	-40.39
COC1=CC=C(COCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223071	1	43	0.0	-48.12	343.20	5.16	-42.96
CC(C)C(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223072	0	45	0.0	-45.50	327.96	5.03	-40.47
CC(C)C(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223072	1	45	0.0	-43.98	323.79	5.18	-38.80
CC(C)C(O)(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020223072	1	45	0.0	-45.46	327.89	5.03	-40.43
CC(C)C(O)(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020223072	1	45	0.0	-43.93	323.72	5.18	-38.75
FC(F)(F)C1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223073	0	39	0.0	-51.62	323.61	6.47	-45.15
FC(F)(F)C1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223073	1	39	0.0	-50.73	326.87	6.38	-44.35
CCCCCOC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223074	1	48	0.0	-43.39	393.51	8.95	-34.44
CCCCCOC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223074	1	48	0.0	-42.34	392.56	8.87	-33.47
C1=CC=C(C2=NN(CCCCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020223076	0	49	0.0	-55.30	395.72	7.61	-47.69
C1=CC=C(C2=NN(CCCCC[N@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020223076	1	49	0.0	-55.25	395.26	7.63	-47.62
C1=CC=C(C2=NN(CCCCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020223076	1	49	0.0	-55.27	395.65	7.60	-47.67
C1=CC=C(C2=NN(CCCCC[N@H+]3CCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020223076	1	49	0.0	-55.21	395.19	7.62	-47.59
FC1=CC=C(Br)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223077	1	32	0.0	-45.60	281.96	6.26	-39.34
FC1=CC=C(Br)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223077	1	32	0.0	-42.50	281.69	6.28	-36.22
CC(C1=CC=C(Br)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223078	0	35	0.0	-49.15	294.86	6.82	-42.33
CC(C1=CC=C(Br)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223078	1	35	0.0	-45.85	295.69	6.93	-38.92
C1=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=CO1	REAL300020223079	1	35	0.0	-45.60	306.90	4.47	-41.13
C1=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=CO1	REAL300020223079	1	35	0.0	-46.61	305.35	4.73	-41.88
O=[N+]([O-])C1=CC(Cl)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223081	1	34	0.0	-45.69	295.86	6.79	-38.90
O=[N+]([O-])C1=CC(Cl)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223081	1	34	0.0	-48.30	296.06	6.84	-41.46
CC(C)[NH+]1CCC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223082	0	50	0.0	-66.31	363.88	2.05	-64.26
CC(C)[NH+]1CCC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223082	1	50	0.0	-66.34	363.95	2.06	-64.28
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC(F)=C1	REAL300020223087	0	43	0.0	-44.79	339.81	6.63	-38.16
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC(F)=C1	REAL300020223087	1	43	0.0	-55.47	338.67	6.67	-48.80
ClC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223088	1	32	0.0	-45.11	293.20	6.72	-38.39
ClC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223088	1	32	0.0	-42.50	292.99	6.74	-35.76
COC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223090	0	42	0.0	-60.06	337.07	5.91	-54.15
COC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223090	1	42	0.0	-64.05	342.83	5.99	-58.06
COC(=O)C1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020223092	1	44	0.0	-50.98	377.30	7.04	-43.94
COC(=O)C1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020223092	1	44	0.0	-49.03	378.42	7.16	-41.87
CC1=CC=C(N2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223093	0	43	0.0	-48.76	333.26	6.45	-42.31
CC1=CC=C(N2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223093	1	43	0.0	-48.40	332.27	6.55	-41.85
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC=C1	REAL300020223094	0	43	0.0	-53.87	333.66	6.66	-47.21
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC=C1	REAL300020223094	1	43	0.0	-53.98	333.63	6.67	-47.31
CC1=CC=C(F)C(N2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020223096	1	46	0.0	-43.31	361.05	7.40	-35.91
CC1=CC=C(F)C(N2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020223096	1	46	0.0	-44.19	359.63	7.41	-36.78
O[C@@H](COCC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223097	0	43	0.0	-50.23	343.43	3.64	-46.59
O[C@@H](COCC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223097	1	43	0.0	-50.47	345.35	3.42	-47.05
BrC1=CC=C(C=CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223098	0	39	0.0	-50.00	332.31	8.28	-41.72
BrC1=CC=C(C=CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223098	1	39	0.0	-51.94	333.06	8.41	-43.53
BrC1=CC=C(C=CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223098	1	39	0.0	-49.96	332.24	8.27	-41.69
BrC1=CC=C(C=CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223098	1	39	0.0	-51.90	332.99	8.40	-43.50
CC1=CC=CC(C)=C1OCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223099	0	45	0.0	-48.75	354.47	7.63	-41.12
CC1=CC=CC(C)=C1OCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223099	1	45	0.0	-48.03	351.77	7.49	-40.54
CC1=CC=CC(C)=C1OCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223099	1	45	0.0	-48.69	354.40	7.62	-41.07
CC1=CC=CC(C)=C1OCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223099	1	45	0.0	-47.98	351.70	7.48	-40.50
CC1=CC(Cl)=CC=C1OC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223100	0	46	0.0	-50.54	383.47	9.61	-40.93
CC1=CC(Cl)=CC=C1OC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223100	1	46	0.0	-48.67	383.46	9.67	-39.00
CC(C)(C)C1=CC=CC(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223101	0	51	0.0	-48.52	386.13	8.30	-40.22
CC(C)(C)C1=CC=CC(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223101	1	51	0.0	-49.55	386.10	8.34	-41.21
CC(C)(C)C1=CC=CC(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223101	1	51	0.0	-48.48	386.07	8.29	-40.19
CC(C)(C)C1=CC=CC(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223101	1	51	0.0	-49.55	386.02	8.34	-41.21
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020223103	0	54	0.0	-66.16	418.92	4.93	-61.23
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020223103	1	54	0.0	-66.20	418.99	4.95	-61.25
CC1=CC=CC(CNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223104	1	42	0.0	-49.23	338.21	4.82	-44.41
CC1=CC=CC(CNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223104	1	42	0.0	-46.34	338.89	4.90	-41.44
COC1=CC=C(CCNC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223105	0	53	0.0	-61.37	414.20	4.64	-56.73
COC1=CC=C(CCNC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223105	1	53	0.0	-56.83	413.13	4.67	-52.16
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C2OCCOC2=C1	REAL300020223106	0	51	0.0	-47.19	396.11	4.75	-42.44
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C2OCCOC2=C1	REAL300020223106	1	51	0.0	-58.36	395.81	4.66	-53.70
CC(C(=O)NCC1=CC=CC=C1F)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223107	1	42	0.0	-53.28	339.56	4.67	-48.61
CC(C(=O)NCC1=CC=CC=C1F)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223107	1	42	0.0	-48.66	338.45	4.72	-43.94
CCOC(=O)C1CCCN(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223109	0	51	0.0	-57.47	387.72	6.07	-51.40
CCOC(=O)C1CCCN(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223109	1	51	0.0	-51.83	388.94	6.13	-45.70
CC(C(=O)N(CCC#N)C1=CC=C(F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223110	1	46	0.0	-59.20	366.35	7.18	-52.02
CC(C(=O)N(CCC#N)C1=CC=C(F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223110	1	46	0.0	-58.37	363.33	6.93	-51.44
COC1=CC=CC=C1N(CCC#N)C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223111	1	50	0.0	-52.37	399.65	6.92	-45.45
COC1=CC=CC=C1N(CCC#N)C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223111	1	50	0.0	-47.96	398.85	7.00	-40.96
CC1=CC=C(N(CCC#N)C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223112	1	49	0.0	-56.27	381.32	7.79	-48.48
CC1=CC=C(N(CCC#N)C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223112	1	49	0.0	-62.08	380.16	7.64	-54.44
CC(C(=O)N(C)CC1COC2=CC=CC=C2O1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223113	0	51	0.0	-53.05	392.77	5.94	-47.11
CC(C(=O)N(C)CC1COC2=CC=CC=C2O1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223113	1	51	0.0	-52.42	391.47	6.50	-45.92
COC1=CC=C(CN(C)C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223114	0	53	0.0	-47.75	405.20	5.63	-42.12
COC1=CC=C(CN(C)C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223114	1	53	0.0	-51.09	407.85	5.75	-45.34
CC(C(=O)N(C)CC1=C(F)C=CC=C1Cl)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223115	1	45	0.0	-41.15	355.57	6.81	-34.34
CC(C(=O)N(C)CC1=C(F)C=CC=C1Cl)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223115	1	45	0.0	-50.63	355.56	6.76	-43.87
COC1=CC=C(CN(C)C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223116	0	49	0.0	-48.15	382.18	5.81	-42.34
COC1=CC=C(CN(C)C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223116	1	49	0.0	-49.69	384.84	5.93	-43.76
COC1=CC2=CC=C(CN(C)C(=O)C(C)[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020223117	0	55	0.0	-46.09	421.67	7.98	-38.11
COC1=CC2=CC=C(CN(C)C(=O)C(C)[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020223117	1	55	0.0	-46.69	421.59	7.99	-38.70
BrC1=CN=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223118	1	31	0.0	-49.62	273.15	4.36	-45.26
BrC1=CN=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223118	1	31	0.0	-49.15	271.61	4.32	-44.83
CC1CCC(N(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)CC1	REAL300020223119	0	52	0.0	-41.57	370.55	7.39	-34.18
CC1CCC(N(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)CC1	REAL300020223119	1	52	0.0	-41.68	370.44	7.40	-34.28
ClC1=CC=C(OCC2=CC=CN=C2)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223120	0	45	0.0	-48.58	374.04	7.82	-40.76
ClC1=CC=C(OCC2=CC=CN=C2)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223120	1	45	0.0	-49.27	380.71	7.67	-41.60
C1=CN=CC(COC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020223123	0	45	0.0	-50.89	363.36	7.11	-43.78
C1=CN=CC(COC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020223123	1	45	0.0	-51.30	362.27	7.03	-44.27
C1=CC(COC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=CC=N1	REAL300020223124	0	45	0.0	-51.14	363.40	7.13	-44.01
C1=CC(COC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=CC=N1	REAL300020223124	1	45	0.0	-51.88	362.32	7.05	-44.83
C1=CC=C(COC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020223125	0	45	0.0	-49.46	361.29	7.20	-42.26
C1=CC=C(COC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020223125	1	45	0.0	-50.27	360.20	7.12	-43.15
C1=CC=C(OC2=CC=CN=C2)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223126	0	42	0.0	-45.08	336.06	6.78	-38.30
C1=CC=C(OC2=CC=CN=C2)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223126	1	42	0.0	-46.00	340.69	6.63	-39.37
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223129	0	52	0.0	-54.58	382.59	6.71	-47.87
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223129	1	52	0.0	-54.03	381.81	6.59	-47.44
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223129	1	52	0.0	-54.54	382.52	6.71	-47.83
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223129	1	52	0.0	-53.99	381.74	6.59	-47.40
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(OC(F)(F)F)=C1	REAL300020223130	1	44	0.0	-48.61	357.15	5.58	-43.03
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(OC(F)(F)F)=C1	REAL300020223130	1	44	0.0	-51.71	357.08	5.62	-46.09
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCCC2=C1	REAL300020223131	0	55	0.0	-42.99	414.32	8.08	-34.91
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCCC2=C1	REAL300020223131	1	55	0.0	-53.97	414.00	8.00	-45.97
ClC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020223132	1	32	0.0	-46.79	289.58	6.63	-40.16
ClC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020223132	1	32	0.0	-48.19	292.35	6.67	-41.52
CC(=O)NC1=CC=C(S(=O)(=O)CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223135	1	48	0.0	-66.70	397.04	3.06	-63.64
CC(=O)NC1=CC=C(S(=O)(=O)CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223135	1	48	0.0	-63.80	396.29	3.12	-60.68
FC(F)(F)COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223136	0	39	0.0	-50.82	328.18	6.31	-44.51
FC(F)(F)COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223136	1	39	0.0	-51.21	327.10	6.22	-44.99
COC(=O)C1=CC2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020223138	0	41	0.0	-56.69	340.30	6.68	-50.01
COC(=O)C1=CC2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020223138	1	41	0.0	-54.48	339.51	6.72	-47.76
CS(=O)(=O)C1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223139	0	42	0.0	-58.41	346.28	3.04	-55.37
CS(=O)(=O)C1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223139	1	42	0.0	-57.12	348.82	2.90	-54.22
ClC1=CC=CC(OC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=C1Cl	REAL300020223141	0	43	0.0	-53.84	378.78	9.43	-44.41
ClC1=CC=CC(OC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=C1Cl	REAL300020223141	1	43	0.0	-49.23	377.80	9.46	-39.77
CCOC(C)C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223142	1	41	0.0	-43.64	341.20	4.12	-39.52
CCOC(C)C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223142	1	41	0.0	-45.44	339.54	4.37	-41.07
FC1=CC=CC=C1OC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223144	0	43	0.0	-57.56	360.46	8.56	-49.00
FC1=CC=CC=C1OC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223144	1	43	0.0	-56.99	360.65	8.58	-48.41
C1=CC2=CC=CC(CCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020223145	0	44	0.0	-49.41	344.47	9.29	-40.12
C1=CC2=CC=CC(CCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020223145	1	44	0.0	-50.39	343.43	9.33	-41.06
C1=CC2=CC=CC(CCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020223145	1	44	0.0	-49.42	344.40	9.28	-40.14
C1=CC2=CC=CC(CCC[N@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020223145	1	44	0.0	-50.35	343.36	9.32	-41.03
O=S(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC(Cl)=CC=C1Cl	REAL300020223146	1	37	0.0	-54.70	342.25	5.47	-49.23
O=S(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC(Cl)=CC=C1Cl	REAL300020223146	1	37	0.0	-60.16	339.14	5.76	-54.40
CC(C1=CC=C(OC(F)(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223148	0	39	0.0	-46.72	318.65	5.99	-40.73
CC(C1=CC=C(OC(F)(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223148	1	39	0.0	-46.37	320.43	6.10	-40.27
CC(C1=CC=C(OC(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223149	0	39	0.0	-50.67	312.81	5.78	-44.89
CC(C1=CC=C(OC(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223149	1	39	0.0	-49.77	313.22	5.85	-43.92
CC1=CC(=O)OC2=CC(OCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020223150	0	44	0.0	-63.71	350.69	7.63	-56.08
CC1=CC(=O)OC2=CC(OCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020223150	1	44	0.0	-66.11	353.16	7.37	-58.74
COC1=CC(C#N)=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223151	0	41	0.0	-55.04	335.81	5.73	-49.31
COC1=CC(C#N)=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223151	1	41	0.0	-52.48	337.81	5.60	-46.88
CS(=O)(=O)C1=CC=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223152	0	42	0.0	-57.77	345.54	3.08	-54.69
CS(=O)(=O)C1=CC=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223152	1	42	0.0	-59.83	348.02	2.81	-57.02
O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223153	0	44	0.0	-46.82	344.95	3.12	-43.70
O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223153	1	44	0.0	-47.59	344.98	3.17	-44.42
O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223153	1	44	0.0	-46.79	344.88	3.12	-43.67
O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223153	1	44	0.0	-47.55	344.91	3.15	-44.40
O=[N+]([O-])C1=CC=C(Cl)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223154	1	34	0.0	-50.74	299.83	6.79	-43.95
O=[N+]([O-])C1=CC=C(Cl)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223154	1	34	0.0	-50.65	300.01	6.73	-43.92
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C=C1	REAL300020223155	1	40	0.0	-48.27	329.02	6.41	-41.86
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C=C1	REAL300020223155	1	40	0.0	-50.06	327.60	6.39	-43.67
ClC1=CC(Cl)=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223156	0	36	0.0	-48.21	319.02	6.45	-41.76
ClC1=CC(Cl)=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223156	1	36	0.0	-51.02	320.87	6.37	-44.65
ClC1=CC=C(C2=NOC(CC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223157	0	40	0.0	-57.07	348.11	5.54	-51.53
ClC1=CC=C(C2=NOC(CC[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223157	1	40	0.0	-58.80	347.10	5.60	-53.20
C1=CC=C(C2=NOC(CC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223158	0	40	0.0	-55.23	330.89	4.99	-50.24
C1=CC=C(C2=NOC(CC[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223158	1	40	0.0	-56.85	330.85	5.06	-51.79
ClC1=CC=CC(C2=NOC(CC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020223159	0	40	0.0	-55.70	347.62	5.50	-50.20
ClC1=CC=CC(C2=NOC(CC[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020223159	1	40	0.0	-55.11	347.63	5.54	-49.57
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Cl)=C1	REAL300020223160	0	39	0.0	-55.63	330.27	5.18	-50.45
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Cl)=C1	REAL300020223160	1	39	0.0	-57.09	330.55	5.14	-51.95
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Cl)=C1	REAL300020223160	1	39	0.0	-55.60	330.20	5.16	-50.44
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Cl)=C1	REAL300020223160	1	39	0.0	-57.09	330.48	5.12	-51.97
CCOC(=O)N1CCN(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223161	0	50	0.0	-52.29	382.65	4.34	-47.95
CCOC(=O)N1CCN(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223161	1	50	0.0	-58.33	381.73	4.26	-54.07
COC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020223163	1	54	0.0	-49.03	414.77	6.29	-42.74
COC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020223163	1	54	0.0	-49.29	415.23	6.30	-42.99
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCOC1CCCCC1	REAL300020223164	1	52	0.0	-50.03	395.87	4.62	-45.41
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCOC1CCCCC1	REAL300020223164	1	52	0.0	-49.77	395.69	4.60	-45.17
CN(CCOC1=CC=CC=C1F)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223166	1	46	0.0	-48.68	369.87	5.93	-42.75
CN(CCOC1=CC=CC=C1F)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223166	1	46	0.0	-48.76	368.69	6.00	-42.76
CN(CC1CCCCC1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223167	1	48	0.0	-48.37	352.58	6.40	-41.97
CN(CC1CCCCC1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223167	1	48	0.0	-47.15	352.43	6.38	-40.77
CN(CCCOC1=CC=CC=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223168	1	49	0.0	-51.74	386.42	6.61	-45.13
CN(CCCOC1=CC=CC=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223168	1	49	0.0	-51.13	386.32	6.61	-44.52
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020223169	1	47	0.0	-53.74	372.08	5.75	-47.99
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020223169	1	47	0.0	-54.32	372.01	5.76	-48.56
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(C1CC1)C1CCCC1	REAL300020223170	0	46	0.0	-48.04	339.17	6.42	-41.62
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(C1CC1)C1CCCC1	REAL300020223170	1	46	0.0	-41.97	326.54	5.96	-36.01
CC(C)(C)N(CC1=CC=CC(F)=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223175	0	51	0.0	-44.35	376.77	7.50	-36.85
CC(C)(C)N(CC1=CC=CC(F)=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223175	1	51	0.0	-45.88	376.67	7.54	-38.34
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCC2(CC1)OCCO2	REAL300020223176	1	48	0.0	-47.58	364.88	2.72	-44.86
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCC2(CC1)OCCO2	REAL300020223176	1	48	0.0	-50.44	364.52	2.72	-47.72
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1(C2=CC=CC=C2)CCC1	REAL300020223178	1	46	0.0	-47.28	354.27	6.07	-41.21
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1(C2=CC=CC=C2)CCC1	REAL300020223178	1	46	0.0	-50.51	353.99	6.11	-44.40
CC1=CC=CC=C1CC(C)NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223180	1	48	0.0	-47.17	374.32	6.33	-40.84
CC1=CC=CC=C1CC(C)NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223180	1	48	0.0	-47.25	374.05	6.39	-40.86
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=C3OCCC3=C2)CC1	REAL300020223185	1	56	0.0	-49.88	424.16	5.36	-44.52
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=C3OCCC3=C2)CC1	REAL300020223185	1	56	0.0	-48.27	423.51	5.23	-43.04
CC1=CC=C(N2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223187	0	46	0.0	-43.86	355.49	7.32	-36.54
CC1=CC=C(N2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223187	1	46	0.0	-53.95	355.08	7.35	-46.60
CC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020223188	0	42	0.0	-41.58	314.93	5.45	-36.13
CC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020223188	1	42	0.0	-49.27	320.76	5.45	-43.82
COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1SC(F)(F)F	REAL300020223190	0	40	0.0	-50.31	343.09	6.34	-43.97
COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1SC(F)(F)F	REAL300020223190	1	40	0.0	-49.90	342.28	6.42	-43.48
C1=CC=C(OC2=CC=C(OCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020223197	0	47	0.0	-52.42	374.29	8.35	-44.07
C1=CC=C(OC2=CC=C(OCC[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020223197	1	47	0.0	-49.58	378.55	8.29	-41.29
ClC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223200	1	32	0.0	-45.11	293.20	6.72	-38.39
ClC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223200	1	32	0.0	-42.50	292.99	6.74	-35.76
FC(F)(F)OC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223201	0	40	0.0	-50.67	331.59	5.29	-45.38
FC(F)(F)OC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223201	1	40	0.0	-49.35	334.14	5.16	-44.19
CN1C=CC(N2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=N1	REAL300020223202	1	43	0.0	-46.72	330.74	5.23	-41.49
CN1C=CC(N2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=N1	REAL300020223202	1	43	0.0	-57.30	329.57	5.26	-52.04
CN1C=C(S(=O)(=O)NCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020223206	1	40	0.0	-62.45	339.27	-0.30	-62.75
CN1C=C(S(=O)(=O)NCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020223206	1	40	0.0	-60.53	340.01	-0.25	-60.78
CCOC(=O)COC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223215	0	49	0.0	-54.76	393.32	7.33	-47.43
CCOC(=O)COC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223215	1	49	0.0	-54.83	395.86	7.21	-47.62
CN1C=C(N2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=N1	REAL300020223216	1	43	0.0	-48.97	328.53	4.18	-44.79
CN1C=C(N2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=N1	REAL300020223216	1	43	0.0	-60.70	327.36	4.21	-56.49
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020223217	0	42	0.0	-47.97	334.88	5.75	-42.22
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020223217	1	42	0.0	-52.53	342.07	5.64	-46.89
FC(F)(F)COC1=CC=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223218	0	39	0.0	-46.81	321.91	6.50	-40.31
FC(F)(F)COC1=CC=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223218	1	39	0.0	-43.71	326.22	6.37	-37.34
CCOC1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223219	0	43	0.0	-47.76	336.87	6.25	-41.51
CCOC1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223219	1	43	0.0	-50.39	338.44	6.09	-44.30
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(OC(F)F)C=C1	REAL300020223221	0	47	0.0	-47.97	373.26	6.14	-41.83
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(OC(F)F)C=C1	REAL300020223221	1	47	0.0	-57.95	372.94	6.25	-51.70
CSC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223222	0	40	0.0	-50.48	325.78	6.52	-43.96
CSC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223222	1	40	0.0	-48.92	328.32	6.39	-42.53
IC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223224	1	32	0.0	-49.30	284.01	6.63	-42.67
IC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223224	1	32	0.0	-48.77	285.51	6.64	-42.13
COC(=O)C1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223225	0	42	0.0	-54.82	356.50	6.72	-48.10
COC(=O)C1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223225	1	42	0.0	-59.32	358.06	6.51	-52.81
CCC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C(C(=O)OC)O1	REAL300020223227	0	41	0.0	-49.80	334.58	6.01	-43.79
CCC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C(C(=O)OC)O1	REAL300020223227	1	41	0.0	-50.31	338.06	5.99	-44.32
CCCCCCCCCCCCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223228	0	67	0.0	-46.26	499.06	13.56	-32.70
CCCCCCCCCCCCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223228	1	67	0.0	-46.01	500.26	13.62	-32.39
CCCCCCCCCCCCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223228	1	67	0.0	-46.21	498.98	13.55	-32.66
CCCCCCCCCCCCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223228	1	67	0.0	-45.98	500.19	13.61	-32.37
CC(=O)C1=CC(F)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1O	REAL300020223237	0	38	0.0	-48.39	313.60	4.83	-43.56
CC(=O)C1=CC(F)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1O	REAL300020223237	1	38	0.0	-53.24	314.37	4.70	-48.54
CC(=O)C1=CC(Cl)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1O	REAL300020223238	0	38	0.0	-47.78	323.92	5.28	-42.50
CC(=O)C1=CC(Cl)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1O	REAL300020223238	1	38	0.0	-52.69	326.20	5.22	-47.47
CC1=CC=C(CN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020223240	0	49	0.0	-47.76	378.25	8.20	-39.56
CC1=CC=C(CN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020223240	1	49	0.0	-47.33	377.61	8.39	-38.94
CNC(=O)CC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223241	1	38	0.0	-46.06	325.46	1.57	-44.49
CNC(=O)CC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223241	1	38	0.0	-48.00	325.60	1.75	-46.25
CC(C1CC1)N(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020223242	0	46	0.0	-46.18	342.48	6.32	-39.86
CC(C1CC1)N(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020223242	1	46	0.0	-44.22	347.91	6.64	-37.58
C#CCN1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223243	1	43	0.0	-46.93	336.79	3.11	-43.82
C#CCN1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223243	1	43	0.0	-46.91	336.90	3.12	-43.79
O=S(=O)(C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)F	REAL300020223244	0	38	0.0	-54.87	331.15	3.54	-51.33
O=S(=O)(C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)F	REAL300020223244	1	38	0.0	-55.71	331.63	3.47	-52.24
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223248	0	42	0.0	-58.97	352.87	5.66	-53.31
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223248	1	42	0.0	-60.72	353.16	5.62	-55.10
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223248	1	42	0.0	-58.99	352.80	5.64	-53.35
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223248	1	42	0.0	-60.70	353.09	5.60	-55.10
FC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020223250	1	32	0.0	-53.84	284.91	6.20	-47.64
FC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020223250	1	32	0.0	-53.86	285.04	6.22	-47.64
FC1=CC(Br)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223251	1	32	0.0	-48.99	286.16	6.24	-42.75
FC1=CC(Br)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223251	1	32	0.0	-50.80	283.87	6.22	-44.58
FC(F)(F)C1=CC=C(CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223252	0	41	0.0	-51.41	340.70	8.18	-43.23
FC(F)(F)C1=CC=C(CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223252	1	41	0.0	-51.37	340.32	8.18	-43.19
FC(F)(F)C1=CC=C(CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223252	1	41	0.0	-51.37	340.63	8.17	-43.20
FC(F)(F)C1=CC=C(CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223252	1	41	0.0	-51.34	340.26	8.16	-43.18
CN(C)C(=O)SC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223253	0	43	0.0	-50.41	358.90	6.17	-44.24
CN(C)C(=O)SC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223253	1	43	0.0	-51.55	356.33	6.22	-45.33
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1CCOCC1	REAL300020223254	0	44	0.0	-56.25	329.41	3.47	-52.78
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1CCOCC1	REAL300020223254	1	44	0.0	-45.60	329.98	3.48	-42.12
O=[N+]([O-])C1=CC=C(Cl)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223256	1	34	0.0	-43.96	293.32	6.83	-37.13
O=[N+]([O-])C1=CC=C(Cl)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223256	1	34	0.0	-43.14	296.30	6.74	-36.40
CC(C)N(C)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223257	0	53	0.0	-59.73	411.21	5.45	-54.28
CC(C)N(C)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223257	1	53	0.0	-60.28	410.71	5.47	-54.81
CC(C)N(C)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020223257	1	53	0.0	-59.66	411.13	5.43	-54.23
CC(C)N(C)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020223257	1	53	0.0	-60.26	410.64	5.46	-54.80
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(Cl)=C1	REAL300020223258	1	40	0.0	-47.34	329.37	6.49	-40.85
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(Cl)=C1	REAL300020223258	1	40	0.0	-47.95	327.77	6.35	-41.60
COCCCS(=O)(=O)NCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223259	1	43	0.0	-62.53	354.50	-0.39	-62.92
COCCCS(=O)(=O)NCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223259	1	43	0.0	-63.56	354.47	-0.42	-63.98
COC1=CC(N2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=CC(OC)=C1	REAL300020223260	1	48	0.0	-58.60	370.38	4.52	-54.08
COC1=CC(N2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=CC(OC)=C1	REAL300020223260	1	48	0.0	-61.08	370.52	4.39	-56.69
N#CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OC(F)F)=C1	REAL300020223261	0	37	0.0	-54.38	310.83	5.77	-48.61
N#CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OC(F)F)=C1	REAL300020223261	1	37	0.0	-53.97	315.38	5.63	-48.34
CCC(C1=CC=C(Br)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223262	0	38	0.0	-48.77	314.15	7.49	-41.28
CCC(C1=CC=C(Br)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223262	1	38	0.0	-48.01	313.27	7.39	-40.62
CC(C1=CN(C2=CC=CC=C2)N=N1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223263	1	41	0.0	-54.09	329.10	5.96	-48.13
CC(C1=CN(C2=CC=CC=C2)N=N1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223263	1	41	0.0	-43.30	329.38	6.00	-37.30
O[C@H](COCC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223264	0	43	0.0	-48.42	345.83	3.47	-44.95
O[C@H](COCC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223264	1	43	0.0	-49.45	342.48	3.80	-45.65
C1=CC(C2CCCCC2)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223265	0	48	0.0	-44.68	358.76	9.39	-35.29
C1=CC(C2CCCCC2)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223265	1	48	0.0	-44.96	359.69	9.36	-35.60
OC(COC1=C2C=CNC2=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223266	0	44	0.0	-53.98	351.33	3.02	-50.96
OC(COC1=C2C=CNC2=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223266	1	44	0.0	-54.51	347.52	3.35	-51.16
CC1=C(C2=CC=C(Cl)C=C2)OC(C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223268	1	44	0.0	-44.24	371.23	5.79	-38.45
CC1=C(C2=CC=C(Cl)C=C2)OC(C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223268	1	44	0.0	-48.68	370.29	5.78	-42.90
CC(C1=CC=CC(Br)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223273	0	35	0.0	-44.98	295.13	6.82	-38.16
CC(C1=CC=CC(Br)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223273	1	35	0.0	-44.42	293.90	6.83	-37.59
BrC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223276	0	38	0.0	-44.06	345.24	7.00	-37.06
BrC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223276	1	38	0.0	-46.75	345.36	7.19	-39.56
CC1=CC(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020223282	1	42	0.0	-52.17	333.85	5.38	-46.79
CC1=CC(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020223282	1	42	0.0	-51.88	333.69	5.37	-46.51
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC2=CC=CC=C2C=C1	REAL300020223286	1	42	0.0	-49.84	338.14	6.32	-43.52
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC2=CC=CC=C2C=C1	REAL300020223286	1	42	0.0	-52.88	336.75	6.33	-46.55
CC1=CC=C(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223295	1	42	0.0	-51.95	329.39	5.23	-46.72
CC1=CC=C(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223295	1	42	0.0	-48.63	330.08	5.31	-43.32
CS(=O)(=O)N1CCCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223297	0	43	0.0	-53.08	333.75	2.33	-50.75
CS(=O)(=O)N1CCCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223297	1	43	0.0	-58.73	334.33	2.40	-56.33
CS(=O)(=O)N1CCCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020223297	1	43	0.0	-53.03	333.68	2.33	-50.70
CS(=O)(=O)N1CCCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020223297	1	43	0.0	-58.67	334.25	2.40	-56.27
NS(=O)(=O)C1=CC=C(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223298	1	47	0.0	-61.74	392.60	-0.11	-61.85
NS(=O)(=O)C1=CC=C(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223298	1	47	0.0	-57.23	393.33	-0.12	-57.35
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C2C=CC(Br)=CN12	REAL300020223310	0	37	0.0	-50.95	325.97	6.06	-44.89
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C2C=CC(Br)=CN12	REAL300020223310	1	37	0.0	-51.16	322.23	6.55	-44.61
CC1=CC=C(NC(=O)CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223312	1	49	0.0	-52.34	390.15	5.53	-46.81
CC1=CC=C(NC(=O)CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223312	1	49	0.0	-49.57	391.07	5.54	-44.03
CN1C(=O)C(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(N)N(C)C1=O	REAL300020223337	1	42	0.0	-46.45	328.37	3.10	-43.35
CN1C(=O)C(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(N)N(C)C1=O	REAL300020223337	1	42	0.0	-45.31	328.07	3.10	-42.21
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C2SC=CN21	REAL300020223346	0	34	0.0	-50.91	296.40	4.68	-46.23
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C2SC=CN21	REAL300020223346	1	34	0.0	-52.47	292.98	5.04	-47.43
CC1=CN2C(=O)C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020223347	0	40	0.0	-51.07	326.08	6.11	-44.96
CC1=CN2C(=O)C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020223347	1	40	0.0	-50.96	322.34	6.59	-44.37
CCOC(=O)C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020223351	0	44	0.0	-40.90	362.84	7.63	-33.27
CCOC(=O)C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020223351	1	44	0.0	-44.57	358.99	7.57	-37.00
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223363	1	42	0.0	-52.98	333.27	6.42	-46.56
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223363	1	42	0.0	-53.57	334.26	6.45	-47.12
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223364	1	49	0.0	-49.95	375.44	2.85	-47.10
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223364	1	49	0.0	-49.65	375.88	2.85	-46.80
CC1=CC=C2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223372	0	40	0.0	-58.30	324.15	7.68	-50.62
CC1=CC=C2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223372	1	40	0.0	-57.61	322.72	7.63	-49.98
COC1=CC=C2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223373	0	41	0.0	-61.47	332.01	6.30	-55.17
COC1=CC=C2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223373	1	41	0.0	-60.66	330.61	6.26	-54.40
CC(C)CN1C(=O)N(C)C(=O)C(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223374	1	51	0.0	-46.72	385.41	5.22	-41.50
CC(C)CN1C(=O)N(C)C(=O)C(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223374	1	51	0.0	-45.22	382.98	5.23	-39.99
CC(C(=O)NC1=CC=C(Br)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223376	1	39	0.0	-56.41	329.58	5.12	-51.29
CC(C(=O)NC1=CC=C(Br)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223376	1	39	0.0	-48.39	327.61	5.17	-43.22
CC(=O)C1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223378	1	44	0.0	-63.23	349.35	4.91	-58.32
CC(=O)C1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223378	1	44	0.0	-54.91	348.86	5.05	-49.86
CC(=O)C1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223381	1	44	0.0	-57.50	351.15	5.14	-52.36
CC(=O)C1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223381	1	44	0.0	-49.47	350.67	5.02	-44.45
CC(C(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223384	1	50	0.0	-59.07	397.27	7.37	-51.70
CC(C(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223384	1	50	0.0	-50.37	395.12	7.39	-42.98
CCOC(=O)C1=C(C)NC(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223387	1	47	0.0	-53.26	381.73	6.28	-46.98
CCOC(=O)C1=C(C)NC(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223387	1	47	0.0	-53.06	382.09	6.29	-46.77
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223398	1	46	0.0	-51.01	367.77	8.08	-42.93
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223398	1	46	0.0	-50.38	366.71	8.01	-42.37
BrC1=CC2=CC=CN=C2C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223399	0	37	0.0	-41.67	319.54	6.90	-34.77
BrC1=CC2=CC=CN=C2C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223399	1	37	0.0	-44.37	320.34	6.74	-37.63
O=S1(=O)CCC(O)(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223404	0	39	0.0	-58.05	297.41	-0.45	-58.50
O=S1(=O)CCC(O)(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223404	1	39	0.0	-59.88	296.98	-0.32	-60.20
COC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223405	1	36	0.0	-42.82	301.51	5.74	-37.08
COC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223405	1	36	0.0	-42.72	306.14	5.58	-37.14
CC(C)C1=CC=C(CN2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223406	1	60	0.0	-46.02	448.42	7.44	-38.58
CC(C)C1=CC=C(CN2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223406	1	60	0.0	-45.44	447.82	7.29	-38.15
CC1=NC(C2=CC=C(C)C=C2NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NN1	REAL300020223408	1	48	0.0	-51.28	384.02	6.02	-45.26
CC1=NC(C2=CC=C(C)C=C2NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NN1	REAL300020223408	1	48	0.0	-49.25	384.72	6.11	-43.14
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1CCCCC1	REAL300020223409	1	48	0.0	-45.53	359.50	5.09	-40.44
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1CCCCC1	REAL300020223409	1	48	0.0	-48.49	359.00	5.10	-43.39
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223411	1	56	0.0	-44.46	386.44	8.04	-36.42
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223411	1	56	0.0	-48.83	385.81	8.06	-40.77
CC(C)N(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020223414	0	48	0.0	-43.93	349.61	6.45	-37.48
CC(C)N(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020223414	1	48	0.0	-43.73	349.87	6.48	-37.25
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020223415	1	46	0.0	-51.93	380.29	4.81	-47.12
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020223415	1	46	0.0	-51.84	380.20	4.82	-47.02
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020223420	1	46	0.0	-47.81	390.94	8.58	-39.23
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020223420	1	46	0.0	-48.60	391.11	8.56	-40.04
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCOC1=CC=CC=C1F	REAL300020223424	1	46	0.0	-50.53	374.91	4.58	-45.95
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCOC1=CC=CC=C1F	REAL300020223424	1	46	0.0	-53.71	374.37	4.58	-49.13
CCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(C)C1=CC=C(F)C=C1	REAL300020223426	0	48	0.0	-50.94	366.24	7.46	-43.48
CCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(C)C1=CC=C(F)C=C1	REAL300020223426	1	48	0.0	-47.73	366.78	7.59	-40.14
CC1=CC(C)=C(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020223427	1	51	0.0	-48.45	394.14	6.64	-41.81
CC1=CC(C)=C(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020223427	1	51	0.0	-52.51	392.67	6.59	-45.92
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(OC(F)(F)F)C=C1	REAL300020223430	1	46	0.0	-54.32	384.36	4.73	-49.59
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(OC(F)(F)F)C=C1	REAL300020223430	1	46	0.0	-49.82	385.15	4.71	-45.11
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCC1CCCCC1	REAL300020223437	1	51	0.0	-49.47	380.64	5.89	-43.58
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCC1CCCCC1	REAL300020223437	1	51	0.0	-48.55	380.49	5.88	-42.67
CC(C)(C)C1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223438	0	58	0.0	-46.06	435.16	9.97	-36.09
CC(C)(C)C1=CC=C(C2CCCN2C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223438	1	58	0.0	-48.88	434.55	9.92	-38.96
CN(CCCOC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223441	1	49	0.0	-51.53	392.38	6.65	-44.88
CN(CCCOC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223441	1	49	0.0	-51.80	392.43	6.66	-45.14
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=CC(Cl)=C1Cl	REAL300020223445	1	42	0.0	-49.00	366.52	5.75	-43.25
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=CC(Cl)=C1Cl	REAL300020223445	1	42	0.0	-48.95	368.05	5.79	-43.16
COC1=CC(C)=C(C(C)NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223446	1	53	0.0	-54.62	407.28	4.71	-49.91
COC1=CC(C)=C(C(C)NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223446	1	53	0.0	-51.88	407.93	4.77	-47.11
CC(C)N(CCCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020223449	1	52	0.0	-56.19	408.76	1.16	-55.03
CC(C)N(CCCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020223449	1	52	0.0	-53.05	409.55	1.14	-51.91
CC(C)(C)C1=CC=C(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223455	1	54	0.0	-51.57	414.56	7.26	-44.31
CC(C)(C)C1=CC=C(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223455	1	54	0.0	-47.22	415.35	7.24	-39.98
CN(CC1=CC(Cl)=CC(Cl)=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223457	1	42	0.0	-49.43	367.34	7.24	-42.19
CN(CC1=CC(Cl)=CC(Cl)=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223457	1	42	0.0	-49.99	367.36	7.25	-42.74
CC(=O)NC1CCCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223459	1	46	0.0	-55.97	354.42	2.58	-53.39
CC(=O)NC1CCCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223459	1	46	0.0	-52.30	355.34	2.59	-49.71
CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223461	0	58	0.0	-53.99	434.86	5.39	-48.60
CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223461	1	58	0.0	-58.07	434.15	5.34	-52.73
ClC1=CC=C(N2C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020223463	1	38	0.0	-54.65	328.38	5.94	-48.71
ClC1=CC=C(N2C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020223463	1	38	0.0	-51.43	328.58	6.00	-45.43
CC(C1=CC=CC(Br)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223465	0	35	0.0	-44.98	295.13	6.82	-38.16
CC(C1=CC=CC(Br)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223465	1	35	0.0	-44.42	293.90	6.83	-37.59
CC1CCCCC1N(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223466	1	48	0.0	-45.07	333.54	6.08	-38.99
CC1CCCCC1N(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223466	1	48	0.0	-49.04	336.77	6.17	-42.87
CC(C1=CC=C(F)C(F)=C1)N(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223469	1	45	0.0	-54.74	355.90	6.54	-48.20
CC(C1=CC=C(F)C(F)=C1)N(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223469	1	45	0.0	-49.09	359.75	7.27	-41.82
CCOC1=CC=C(C(C)NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223470	1	53	0.0	-54.90	414.87	5.13	-49.77
CCOC1=CC=C(C(C)NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223470	1	53	0.0	-52.37	415.51	5.19	-47.18
CC(C)OC1=CC=C(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223471	1	52	0.0	-53.89	407.64	5.79	-48.10
CC(C)OC1=CC=C(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223471	1	52	0.0	-49.47	408.42	5.77	-43.70
CC1=CC(C)=CC(OCCN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223473	1	52	0.0	-46.67	407.23	7.26	-39.41
CC1=CC(C)=CC(OCCN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223473	1	52	0.0	-48.22	405.28	7.26	-40.96
CC(C1=CC=C(Cl)C=C1)N(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223474	0	45	0.0	-52.27	361.48	7.18	-45.09
CC(C1=CC=C(Cl)C=C1)N(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223474	1	45	0.0	-52.49	361.35	7.17	-45.32
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300020223475	0	49	0.0	-50.20	395.58	8.53	-41.67
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300020223475	1	49	0.0	-52.34	394.94	8.74	-43.60
COC1=CC=CC=C1C(C)N(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223477	1	49	0.0	-44.82	376.78	5.91	-38.91
COC1=CC=CC=C1C(C)N(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223477	1	49	0.0	-45.66	376.87	5.94	-39.72
COC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223482	0	54	0.0	-50.79	417.77	6.78	-44.01
COC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223482	1	54	0.0	-50.66	417.92	6.79	-43.87
CC1=CC=C(CCC2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223483	0	58	0.0	-47.23	436.96	10.03	-37.20
CC1=CC=C(CCC2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223483	1	58	0.0	-51.12	436.27	9.98	-41.14
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300020223484	0	51	0.0	-52.70	400.28	7.93	-44.77
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300020223484	1	51	0.0	-48.74	400.46	7.91	-40.83
N#CC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223485	0	40	0.0	-53.16	332.02	5.05	-48.11
N#CC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223485	1	40	0.0	-56.46	333.57	5.19	-51.27
N#CC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223485	1	40	0.0	-53.10	331.95	5.05	-48.05
N#CC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223485	1	40	0.0	-56.41	333.50	5.19	-51.22
NS(=O)(=O)C1=CC=C(CCNC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223486	0	50	0.0	-65.02	415.23	0.51	-64.51
NS(=O)(=O)C1=CC=C(CCNC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223486	1	50	0.0	-68.08	414.79	0.52	-67.56
NS(=O)(=O)C1=CC=C(CCNC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223486	1	50	0.0	-65.03	415.16	0.49	-64.54
NS(=O)(=O)C1=CC=C(CCNC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223486	1	50	0.0	-68.01	414.71	0.51	-67.50
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300020223487	0	51	0.0	-58.32	413.12	8.18	-50.14
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300020223487	1	51	0.0	-57.37	414.80	8.22	-49.15
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300020223487	1	51	0.0	-58.29	413.05	8.16	-50.13
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300020223487	1	51	0.0	-57.30	414.73	8.21	-49.09
CSC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223488	0	43	0.0	-50.96	351.80	5.76	-45.20
CSC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223488	1	43	0.0	-55.77	352.51	5.88	-49.89
CSC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223488	1	43	0.0	-50.97	351.73	5.75	-45.22
CSC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223488	1	43	0.0	-55.73	352.44	5.87	-49.86
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223489	0	52	0.0	-57.90	415.10	8.78	-49.12
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223489	1	52	0.0	-58.43	415.29	8.88	-49.55
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223489	1	52	0.0	-57.84	415.03	8.77	-49.07
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223489	1	52	0.0	-58.44	415.22	8.87	-49.57
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223490	0	49	0.0	-51.72	390.65	8.63	-43.09
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223490	1	49	0.0	-56.45	390.24	8.70	-47.75
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223490	1	49	0.0	-51.65	390.58	8.63	-43.02
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223490	1	49	0.0	-56.45	390.17	8.69	-47.76
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1OC1=CC=CC=C1	REAL300020223491	0	50	0.0	-50.92	400.60	7.52	-43.40
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1OC1=CC=CC=C1	REAL300020223491	1	50	0.0	-55.03	401.60	7.70	-47.33
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1OC1=CC=CC=C1	REAL300020223491	1	50	0.0	-50.87	400.53	7.51	-43.36
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1OC1=CC=CC=C1	REAL300020223491	1	50	0.0	-55.04	401.53	7.69	-47.35
NC(=O)C1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCC2	REAL300020223492	0	50	0.0	-56.20	404.46	2.98	-53.22
NC(=O)C1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCC2	REAL300020223492	1	50	0.0	-60.72	405.17	3.10	-57.62
N#CC1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCC2	REAL300020223493	0	44	0.0	-54.71	369.19	6.13	-48.58
N#CC1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCC2	REAL300020223493	1	44	0.0	-58.28	369.90	6.25	-52.03
NC(=O)C1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020223494	0	40	0.0	-52.64	334.99	0.71	-51.93
NC(=O)C1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020223494	1	40	0.0	-56.30	335.74	0.83	-55.47
N#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223495	0	40	0.0	-64.10	349.94	5.45	-58.65
N#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223495	1	40	0.0	-65.42	350.31	5.42	-60.00
N#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223495	1	40	0.0	-64.04	349.87	5.43	-58.61
N#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223495	1	40	0.0	-65.39	350.25	5.41	-59.98
CC1CCC2=C(C1)SC(NC(=O)CC[N@@H+]1CCC(C3=NN=N[N-]3)C1)=C2C#N	REAL300020223496	0	50	0.0	-53.89	407.21	7.31	-46.58
CC1CCC2=C(C1)SC(NC(=O)CC[N@H+]1CCC(C3=NN=N[N-]3)C1)=C2C#N	REAL300020223496	1	50	0.0	-57.50	407.91	7.43	-50.07
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CS1)C1=CC=CC=C1	REAL300020223497	0	49	0.0	-51.56	406.82	7.73	-43.83
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CS1)C1=CC=CC=C1	REAL300020223497	1	49	0.0	-56.66	407.54	7.85	-48.81
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CS1)C1=CC=CC=C1	REAL300020223497	1	49	0.0	-51.53	406.75	7.73	-43.80
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CS1)C1=CC=CC=C1	REAL300020223497	1	49	0.0	-56.63	407.47	7.85	-48.78
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223498	0	52	0.0	-58.63	408.87	6.77	-51.86
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223498	1	52	0.0	-63.91	409.61	6.90	-57.01
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223498	1	52	0.0	-58.54	408.80	6.76	-51.78
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223498	1	52	0.0	-63.88	409.53	6.89	-56.99
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C1)C1=CC=CC=C1N2	REAL300020223506	0	47	0.0	-57.09	365.23	6.36	-50.73
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C1)C1=CC=CC=C1N2	REAL300020223506	1	47	0.0	-51.16	366.13	6.41	-44.75
CC(C(=O)NC1=CC=C(Cl)C(Cl)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223508	1	39	0.0	-46.82	339.67	5.52	-41.30
CC(C(=O)NC1=CC=C(Cl)C(Cl)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223508	1	39	0.0	-50.99	338.91	5.52	-45.47
CC(=O)NC1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223509	1	46	0.0	-54.70	364.08	3.45	-51.25
CC(=O)NC1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223509	1	46	0.0	-54.65	362.40	3.45	-51.20
CC1=CC(Cl)=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223510	1	42	0.0	-49.83	342.30	5.92	-43.91
CC1=CC(Cl)=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223510	1	42	0.0	-48.61	340.77	5.91	-42.70
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(C[NH+]2CCSCC2)=C1	REAL300020223512	0	52	0.0	-72.83	408.32	5.28	-67.55
ClC1=CC=C(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223513	0	36	0.0	-51.45	315.48	7.38	-44.07
ClC1=CC=C(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223513	1	36	0.0	-52.26	316.23	7.45	-44.81
ClC1=CC=C(SCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223513	1	36	0.0	-51.44	315.41	7.36	-44.08
ClC1=CC=C(SCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223513	1	36	0.0	-52.27	316.16	7.44	-44.83
COC(=O)C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020223523	0	38	0.0	-48.62	323.24	6.03	-42.59
COC(=O)C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020223523	1	38	0.0	-50.72	322.67	6.15	-44.57
CC(C(=O)NC1=CC=C(N2CCOCC2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223525	1	52	0.0	-53.60	391.72	3.47	-50.13
CC(C(=O)NC1=CC=C(N2CCOCC2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223525	1	52	0.0	-53.62	392.41	3.47	-50.15
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)NCC(F)(F)F	REAL300020223530	0	39	0.0	-67.03	335.13	2.41	-64.62
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)NCC(F)(F)F	REAL300020223530	1	39	0.0	-67.52	335.29	2.51	-65.01
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)NCC(F)(F)F	REAL300020223530	1	39	0.0	-67.02	335.06	2.41	-64.61
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)NCC(F)(F)F	REAL300020223530	1	39	0.0	-67.50	335.22	2.51	-64.99
O=C1C2=CC=CC=C2N=CN1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223532	0	40	0.0	-53.68	325.26	6.54	-47.14
O=C1C2=CC=CC=C2N=CN1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223532	1	40	0.0	-60.31	325.29	6.58	-53.73
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223533	1	43	0.0	-65.02	342.73	1.29	-63.73
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223533	1	43	0.0	-54.66	341.00	1.32	-53.34
CC(C(=O)NC1=CC=C(Cl)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223534	1	39	0.0	-56.30	325.02	5.01	-51.29
CC(C(=O)NC1=CC=C(Cl)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223534	1	39	0.0	-48.37	323.05	5.06	-43.31
CC(C(=O)C1=C(N)N(C)C(=O)N(C)C1=O)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223536	1	45	0.0	-45.04	344.75	3.59	-41.45
CC(C(=O)C1=C(N)N(C)C(=O)N(C)C1=O)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223536	1	45	0.0	-45.43	344.47	3.66	-41.77
CC(C(=O)NC1=CC=CC=C1C(=O)C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223538	1	51	0.0	-48.11	408.12	8.06	-40.05
CC(C(=O)NC1=CC=CC=C1C(=O)C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223538	1	51	0.0	-52.81	408.18	8.01	-44.80
CC(C(=O)NC1=CC2=CC=CC=C2C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223541	1	45	0.0	-46.30	354.78	6.88	-39.42
CC(C(=O)NC1=CC2=CC=CC=C2C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223541	1	45	0.0	-46.23	354.35	6.79	-39.44
CC1(C)C(=O)NC2=CC=CC=C2N1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223543	1	47	0.0	-52.23	356.63	4.31	-47.92
CC1(C)C(=O)NC2=CC=CC=C2N1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223543	1	47	0.0	-49.35	357.55	4.40	-44.95
COC(=O)C1=C(C)NC(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223545	1	44	0.0	-56.99	359.42	5.36	-51.63
COC(=O)C1=C(C)NC(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223545	1	44	0.0	-53.30	360.22	5.36	-47.94
COC(=O)C1=C(C)NC(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223546	1	47	0.0	-48.63	377.11	5.89	-42.74
COC(=O)C1=C(C)NC(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223546	1	47	0.0	-59.21	376.81	5.86	-53.35
CC1=CSC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N12	REAL300020223550	0	37	0.0	-50.07	313.78	5.29	-44.78
CC1=CSC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N12	REAL300020223550	1	37	0.0	-50.42	309.11	5.77	-44.65
CCC1=CC2=C(C=C1O)OC(=O)C=C2C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223552	0	44	0.0	-58.79	355.12	5.63	-53.16
CCC1=CC2=C(C=C1O)OC(=O)C=C2C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223552	1	44	0.0	-59.48	355.45	5.67	-53.81
CCC1=CC2=C(C=C1Cl)C(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)=CC(=O)O2	REAL300020223555	0	43	0.0	-56.86	358.98	8.73	-48.13
CCC1=CC2=C(C=C1Cl)C(C[N@H+]1CCC(C3=NN=N[N-]3)C1)=CC(=O)O2	REAL300020223555	1	43	0.0	-56.74	359.02	8.75	-47.99
O=[N+]([O-])C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020223558	1	34	0.0	-57.77	299.14	6.60	-51.17
O=[N+]([O-])C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020223558	1	34	0.0	-60.56	296.83	6.59	-53.97
CC(CCSC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223559	0	42	0.0	-48.55	335.72	8.00	-40.55
CC(CCSC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223559	1	42	0.0	-50.14	334.54	8.03	-42.11
CC(CCSC1=CC=CC=C1)[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223559	1	42	0.0	-48.51	335.65	7.98	-40.53
CC(CCSC1=CC=CC=C1)[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223559	1	42	0.0	-50.11	334.47	8.00	-42.11
CC1=CC(C)=C(NC(=O)CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020223567	0	51	0.0	-52.02	393.53	7.69	-44.33
CC1=CC(C)=C(NC(=O)CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020223567	1	51	0.0	-53.48	393.05	7.64	-45.84
CC1=CC(C)=C(NC(=O)CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020223567	1	51	0.0	-51.98	393.47	7.68	-44.30
CC1=CC(C)=C(NC(=O)CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020223567	1	51	0.0	-53.44	392.98	7.64	-45.80
CCC1=CC=C(Cl)C(CC)=C1NC(=O)CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223571	0	54	0.0	-54.88	418.04	8.37	-46.51
CCC1=CC=C(Cl)C(CC)=C1NC(=O)CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223571	1	54	0.0	-54.56	417.88	8.39	-46.17
CCC1=CC=C(Cl)C(CC)=C1NC(=O)CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223571	1	54	0.0	-54.85	417.98	8.36	-46.49
CCC1=CC=C(Cl)C(CC)=C1NC(=O)CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223571	1	54	0.0	-54.49	417.80	8.39	-46.10
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(F)(F)F	REAL300020223575	0	42	0.0	-56.00	346.97	5.93	-50.07
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(F)(F)F	REAL300020223575	1	42	0.0	-55.10	348.17	5.98	-49.12
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(F)(F)F	REAL300020223575	1	42	0.0	-55.96	346.90	5.92	-50.04
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(F)(F)F	REAL300020223575	1	42	0.0	-55.10	348.10	5.97	-49.13
CCOC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223576	0	46	0.0	-54.67	364.85	4.81	-49.86
CCOC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223576	1	46	0.0	-59.94	365.61	4.94	-55.00
CCOC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223576	1	46	0.0	-54.61	364.78	4.81	-49.80
CCOC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223576	1	46	0.0	-59.89	365.54	4.94	-54.95
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223577	0	43	0.0	-57.84	359.26	4.50	-53.34
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223577	1	43	0.0	-59.01	359.35	4.47	-54.54
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223577	1	43	0.0	-57.81	359.19	4.48	-53.33
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223577	1	43	0.0	-59.01	359.29	4.45	-54.56
COC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223578	0	43	0.0	-56.30	343.03	3.96	-52.34
COC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223578	1	43	0.0	-60.13	343.60	3.91	-56.22
COC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223578	1	43	0.0	-56.29	342.95	3.94	-52.35
COC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223578	1	43	0.0	-60.12	343.54	3.89	-56.23
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223579	0	42	0.0	-58.97	352.87	5.66	-53.31
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223579	1	42	0.0	-60.72	353.16	5.62	-55.10
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223579	1	42	0.0	-58.99	352.80	5.64	-53.35
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223579	1	42	0.0	-60.70	353.09	5.60	-55.10
CCOC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223580	0	46	0.0	-51.00	364.20	4.95	-46.05
CCOC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223580	1	46	0.0	-55.92	364.92	5.07	-50.85
CCOC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223580	1	46	0.0	-50.96	364.13	4.95	-46.01
CCOC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223580	1	46	0.0	-55.89	364.84	5.07	-50.82
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020223581	0	53	0.0	-55.86	424.76	7.88	-47.98
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020223581	1	53	0.0	-61.17	425.52	8.01	-53.16
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020223581	1	53	0.0	-55.76	424.69	7.87	-47.89
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020223581	1	53	0.0	-61.12	425.45	8.00	-53.12
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223582	0	40	0.0	-39.73	312.08	8.43	-31.30
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223582	1	40	0.0	-41.04	312.18	8.50	-32.54
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223582	1	40	0.0	-39.68	312.01	8.42	-31.26
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223582	1	40	0.0	-40.94	312.10	8.50	-32.44
O=C(C1=CC=CC=C1)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223583	0	44	0.0	-55.07	352.86	8.77	-46.30
O=C(C1=CC=CC=C1)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223583	1	44	0.0	-56.51	354.36	8.77	-47.74
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223585	0	52	0.0	-54.58	382.59	6.71	-47.87
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223585	1	52	0.0	-54.03	381.81	6.59	-47.44
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223585	1	52	0.0	-54.54	382.52	6.71	-47.83
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223585	1	52	0.0	-53.99	381.74	6.59	-47.40
ClC1=CC=C(OC2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020223586	0	43	0.0	-48.07	364.06	9.01	-39.06
ClC1=CC=C(OC2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020223586	1	43	0.0	-47.36	364.88	8.98	-38.38
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300020223587	1	50	0.0	-52.68	405.68	0.48	-52.20
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300020223587	1	50	0.0	-62.89	405.52	0.48	-62.41
CC(C(=O)NC1=CC=C2OC(F)(F)OC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223589	1	42	0.0	-50.79	347.39	3.64	-47.15
CC(C(=O)NC1=CC=C2OC(F)(F)OC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223589	1	42	0.0	-54.53	346.36	3.65	-50.88
CC(C(=O)NC1=CC=C(N2CCCC2=O)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223590	1	50	0.0	-55.66	384.33	5.62	-50.04
CC(C(=O)NC1=CC=C(N2CCCC2=O)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223590	1	50	0.0	-52.18	383.63	5.64	-46.54
CC(C(=O)NC1=CC=C2OC3(CCCCC3)OC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223591	1	55	0.0	-54.00	416.56	6.76	-47.24
CC(C(=O)NC1=CC=C2OC3(CCCCC3)OC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223591	1	55	0.0	-50.00	415.29	6.75	-43.25
CC(C(=O)NC1=CC=C(N2CCCC2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223594	1	51	0.0	-47.49	384.82	5.03	-42.46
CC(C(=O)NC1=CC=C(N2CCCC2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223594	1	51	0.0	-47.48	385.07	5.05	-42.43
CC(C(=O)N1CCN(C2=CC=C(F)C=C2)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223595	0	51	0.0	-44.97	387.40	5.63	-39.34
CC(C(=O)N1CCN(C2=CC=C(F)C=C2)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223595	1	51	0.0	-57.26	387.65	5.66	-51.60
CC(C(=O)N1CCN(C2=CC=CC=C2O)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223596	0	52	0.0	-43.53	391.02	3.01	-40.52
CC(C(=O)N1CCN(C2=CC=CC=C2O)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223596	1	52	0.0	-53.12	395.66	2.97	-50.15
CC(C(=O)N1CCN(C2=NC=CC=N2)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223597	0	49	0.0	-45.98	374.19	5.16	-40.82
CC(C(=O)N1CCN(C2=NC=CC=N2)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223597	1	49	0.0	-50.35	374.02	5.18	-45.17
CC1=CC(C)=CC(N(CCC#N)C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223598	1	52	0.0	-61.97	402.05	8.34	-53.63
CC1=CC(C)=CC(N(CCC#N)C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223598	1	52	0.0	-54.22	399.50	8.36	-45.86
COC(=O)C1CCN(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223599	0	48	0.0	-50.88	366.69	5.25	-45.63
COC(=O)C1CCN(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223599	1	48	0.0	-51.97	366.48	5.25	-46.72
CC(C(=O)N1CCCC1C1=CC=CS1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223600	1	46	0.0	-55.39	362.48	6.65	-48.74
CC(C(=O)N1CCCC1C1=CC=CS1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223600	1	46	0.0	-44.75	361.18	6.64	-38.11
CC(C(=O)NC(=O)NC1=CC=CC=C1F)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223601	1	43	0.0	-51.19	349.32	4.69	-46.50
CC(C(=O)NC(=O)NC1=CC=CC=C1F)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223601	1	43	0.0	-56.05	348.18	4.67	-51.38
CC1=NN(C)C(=O)C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1C	REAL300020223603	1	46	0.0	-50.17	377.49	5.26	-44.91
CC1=NN(C)C(=O)C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1C	REAL300020223603	1	46	0.0	-50.73	377.09	5.40	-45.33
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223605	1	49	0.0	-49.95	375.44	2.85	-47.10
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223605	1	49	0.0	-49.65	375.88	2.85	-46.80
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCCC2)C=C1	REAL300020223606	1	51	0.0	-48.33	384.10	5.31	-43.02
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCCC2)C=C1	REAL300020223606	1	51	0.0	-48.13	384.81	5.30	-42.83
CC1=CC=C(C)C(NC(=O)CC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020223607	1	51	0.0	-51.08	419.59	6.87	-44.21
CC1=CC=C(C)C(NC(=O)CC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020223607	1	51	0.0	-49.05	420.16	7.00	-42.05
CC1=CC=CC=C1NC(=O)CC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223608	1	48	0.0	-46.87	398.56	6.15	-40.72
CC1=CC=CC=C1NC(=O)CC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223608	1	48	0.0	-49.04	398.78	6.33	-42.71
CC1=CC=C(NC(=O)CC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223609	1	48	0.0	-46.69	402.18	5.98	-40.71
CC1=CC=C(NC(=O)CC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223609	1	48	0.0	-48.75	402.31	6.16	-42.59
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020223610	0	48	0.0	-49.84	370.02	5.30	-44.54
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020223610	1	48	0.0	-49.96	370.18	5.35	-44.61
CC(C1=NC2=CC=CC=C2N1C(F)F)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223612	1	41	0.0	-40.93	334.63	6.34	-34.59
CC(C1=NC2=CC=CC=C2N1C(F)F)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223612	1	41	0.0	-40.88	335.33	6.26	-34.62
COC1=CC=C(N2C3=CC=CC=C3N=C2C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223613	0	49	0.0	-45.55	395.14	8.54	-37.01
COC1=CC=C(N2C3=CC=CC=C3N=C2C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223613	1	49	0.0	-43.17	387.09	8.17	-35.00
CC1(C)CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)CC(C)(C)[NH2+]1	REAL300020223614	0	53	0.0	-65.67	385.83	1.29	-64.38
CC1(C)CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)CC(C)(C)[NH2+]1	REAL300020223614	1	53	0.0	-65.64	385.91	1.29	-64.35
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C2C=CC(Cl)=CN12	REAL300020223620	0	37	0.0	-51.35	321.41	5.96	-45.39
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C2C=CC(Cl)=CN12	REAL300020223620	1	37	0.0	-51.46	317.67	6.45	-45.01
O=C1NC2=CC=CC=C2N1CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223628	0	42	0.0	-54.64	339.02	5.53	-49.11
O=C1NC2=CC=CC=C2N1CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223628	1	42	0.0	-51.39	338.46	5.53	-45.86
O=C1NC2=CC=CC=C2N1CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223628	1	42	0.0	-54.61	338.95	5.52	-49.09
O=C1NC2=CC=CC=C2N1CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223628	1	42	0.0	-51.34	338.39	5.51	-45.83
CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223629	1	46	0.0	-53.26	352.98	2.60	-50.66
CC(=O)N1CCC(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223629	1	46	0.0	-56.96	353.42	2.64	-54.32
COC1=CC=CC(NC(=O)CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223630	1	50	0.0	-54.45	398.51	4.14	-50.31
COC1=CC=CC(NC(=O)CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223630	1	50	0.0	-50.51	399.16	4.16	-46.35
CC1=CC(N2CCCC2)=CC=C1NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223632	1	51	0.0	-52.15	387.61	5.42	-46.73
CC1=CC(N2CCCC2)=CC=C1NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223632	1	51	0.0	-50.05	387.05	5.44	-44.61
CN1C2=C(C(=O)N(C)C1=O)N(CC[N@@H+]1CCC(C3=NN=N[N-]3)C1)C=N2	REAL300020223636	0	44	0.0	-62.19	353.81	6.23	-55.96
CN1C2=C(C(=O)N(C)C1=O)N(CC[N@H+]1CCC(C3=NN=N[N-]3)C1)C=N2	REAL300020223636	1	44	0.0	-59.22	353.45	6.31	-52.91
CC(=O)C1=C(C)NC(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223639	1	46	0.0	-48.34	366.38	5.76	-42.58
CC(=O)C1=C(C)NC(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223639	1	46	0.0	-50.38	366.22	5.73	-44.65
CCCCCCCCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223646	0	55	0.0	-46.10	413.07	10.44	-35.66
CCCCCCCCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223646	1	55	0.0	-45.86	414.26	10.49	-35.37
CCCCCCCCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223646	1	55	0.0	-46.05	412.99	10.42	-35.63
CCCCCCCCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223646	1	55	0.0	-45.79	414.19	10.49	-35.30
O=C(NCC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1)C1=CC=CC=C1	REAL300020223649	1	45	0.0	-50.67	382.24	4.77	-45.90
O=C(NCC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1)C1=CC=CC=C1	REAL300020223649	1	45	0.0	-54.06	382.43	4.94	-49.12
O=C(CC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1)NC1=CC=CC=C1	REAL300020223650	1	45	0.0	-46.75	380.77	5.30	-41.45
O=C(CC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1)NC1=CC=CC=C1	REAL300020223650	1	45	0.0	-48.77	380.97	5.48	-43.29
NC(=O)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223652	0	43	0.0	-63.58	360.68	1.96	-61.62
NC(=O)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223652	1	43	0.0	-71.64	360.19	1.99	-69.65
NC(=O)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223652	1	43	0.0	-63.53	360.60	1.94	-61.59
NC(=O)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223652	1	43	0.0	-71.59	360.12	1.98	-69.61
CC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223653	0	42	0.0	-59.22	330.84	5.53	-53.69
CC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223653	1	42	0.0	-58.17	332.04	5.58	-52.59
CC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223653	1	42	0.0	-59.22	330.76	5.52	-53.70
CC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223653	1	42	0.0	-58.13	331.96	5.57	-52.56
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC(F)=CC(F)=C1	REAL300020223657	0	39	0.0	-55.47	326.36	4.73	-50.74
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC(F)=CC(F)=C1	REAL300020223657	1	39	0.0	-60.67	327.11	4.86	-55.81
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC(F)=CC(F)=C1	REAL300020223657	1	39	0.0	-55.39	326.29	4.73	-50.66
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC(F)=CC(F)=C1	REAL300020223657	1	39	0.0	-60.61	327.03	4.86	-55.75
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223659	0	45	0.0	-57.97	369.71	4.71	-53.26
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223659	1	45	0.0	-62.63	370.43	4.83	-57.80
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223659	1	45	0.0	-57.86	369.65	4.70	-53.16
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223659	1	45	0.0	-62.60	370.35	4.83	-57.77
N#CC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223660	0	40	0.0	-61.59	334.70	5.04	-56.55
N#CC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223660	1	40	0.0	-63.25	334.98	5.00	-58.25
N#CC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223660	1	40	0.0	-61.53	334.63	5.03	-56.50
N#CC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223660	1	40	0.0	-63.18	334.91	4.98	-58.20
CC1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020223661	0	44	0.0	-58.58	353.31	5.98	-52.60
CC1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020223661	1	44	0.0	-63.19	358.20	6.22	-56.97
CC1=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020223661	1	44	0.0	-58.54	353.24	5.97	-52.57
CC1=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020223661	1	44	0.0	-63.18	358.13	6.22	-56.96
NC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223674	0	38	0.0	-55.80	313.60	3.05	-52.75
NC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223674	1	38	0.0	-59.05	313.73	3.10	-55.95
CC1CC2=CC(S(N)(=O)=O)=CC=C2N1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223676	1	48	0.0	-54.32	383.90	1.55	-52.77
CC1CC2=CC(S(N)(=O)=O)=CC=C2N1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223676	1	48	0.0	-56.28	383.42	1.54	-54.74
CC1=NC(C2=CC=C3C(=C2)CCN3C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223677	1	49	0.0	-52.33	395.76	7.36	-44.97
CC1=NC(C2=CC=C3C(=C2)CCN3C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223677	1	49	0.0	-47.86	396.62	7.35	-40.51
CN1C(=O)C2=CC=CC=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223679	1	40	0.0	-56.20	318.25	6.19	-50.01
CN1C(=O)C2=CC=CC=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223679	1	40	0.0	-56.30	318.00	6.19	-50.11
NC1=C2C3=C(CCCC3)SC2=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223683	1	45	0.0	-42.18	358.53	5.65	-36.53
NC1=C2C3=C(CCCC3)SC2=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223683	1	45	0.0	-43.09	357.18	5.75	-37.34
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1C2=CC=CC=C2NC(=O)C12CCCC2	REAL300020223685	1	51	0.0	-54.13	378.72	5.13	-49.00
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1C2=CC=CC=C2NC(=O)C12CCCC2	REAL300020223685	1	51	0.0	-50.27	382.08	5.30	-44.97
CC1CCC2=C(C1)SC1=NC(CC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NC(N)=C12	REAL300020223686	0	51	0.0	-49.74	400.16	7.00	-42.74
CC1CCC2=C(C1)SC1=NC(CC[N@H+]3CCC(C4=NN=N[N-]4)C3)=NC(N)=C12	REAL300020223686	1	51	0.0	-50.97	399.13	7.05	-43.92
NC1=CC=C(F)C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223696	0	41	0.0	-51.72	334.53	2.59	-49.13
NC1=CC=C(F)C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223696	1	41	0.0	-56.28	335.24	2.71	-53.57
NC1=CC=C(F)C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223696	1	41	0.0	-51.66	334.46	2.58	-49.08
NC1=CC=C(F)C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223696	1	41	0.0	-56.22	335.17	2.70	-53.52
COC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223698	0	43	0.0	-56.30	343.03	3.96	-52.34
COC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223698	1	43	0.0	-60.13	343.60	3.91	-56.22
COC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223698	1	43	0.0	-56.29	342.95	3.94	-52.35
COC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223698	1	43	0.0	-60.12	343.54	3.89	-56.23
COC1=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(OC)C=C1Cl	REAL300020223699	0	47	0.0	-54.85	387.01	3.88	-50.97
COC1=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(OC)C=C1Cl	REAL300020223699	1	47	0.0	-59.38	387.73	4.00	-55.38
COC1=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C(OC)C=C1Cl	REAL300020223699	1	47	0.0	-54.80	386.94	3.88	-50.92
COC1=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C(OC)C=C1Cl	REAL300020223699	1	47	0.0	-59.34	387.65	4.00	-55.34
N#CC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223700	0	40	0.0	-61.59	334.70	5.04	-56.55
N#CC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223700	1	40	0.0	-63.25	334.98	5.00	-58.25
N#CC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223700	1	40	0.0	-61.53	334.63	5.03	-56.50
N#CC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223700	1	40	0.0	-63.18	334.91	4.98	-58.20
CC1=CC=C(F)C=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223701	0	42	0.0	-55.43	337.75	5.53	-49.90
CC1=CC=C(F)C=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223701	1	42	0.0	-61.18	338.47	5.65	-55.53
CC1=CC=C(F)C=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223701	1	42	0.0	-55.40	337.68	5.52	-49.88
CC1=CC=C(F)C=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223701	1	42	0.0	-61.10	338.40	5.64	-55.46
COC1=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020223702	0	51	0.0	-64.91	405.99	3.77	-61.14
COC1=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020223702	1	51	0.0	-65.10	406.14	3.87	-61.23
COC1=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020223702	1	51	0.0	-64.87	405.92	3.76	-61.11
COC1=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020223702	1	51	0.0	-65.03	406.06	3.86	-61.17
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020223703	0	50	0.0	-55.48	402.16	7.44	-48.04
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020223703	1	50	0.0	-61.33	403.04	7.57	-53.76
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020223703	1	50	0.0	-55.42	402.09	7.44	-47.98
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020223703	1	50	0.0	-61.30	402.97	7.57	-53.73
CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223705	0	42	0.0	-59.07	340.25	5.37	-53.70
CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223705	1	42	0.0	-62.90	339.97	5.38	-57.52
CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020223705	1	42	0.0	-59.05	340.18	5.35	-53.70
CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020223705	1	42	0.0	-62.83	339.89	5.37	-57.46
N#CC1=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020223706	0	40	0.0	-63.93	349.72	5.47	-58.46
N#CC1=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020223706	1	40	0.0	-65.24	350.37	5.41	-59.83
N#CC1=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020223706	1	40	0.0	-63.94	349.65	5.45	-58.49
N#CC1=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020223706	1	40	0.0	-65.23	350.30	5.40	-59.83
CC1=C(F)C=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223707	0	42	0.0	-54.28	336.62	5.49	-48.79
CC1=C(F)C=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223707	1	42	0.0	-59.09	338.36	5.65	-53.44
CC1=C(F)C=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223707	1	42	0.0	-54.25	336.56	5.48	-48.77
CC1=C(F)C=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223707	1	42	0.0	-59.11	338.29	5.65	-53.46
COC1=CC(OC)=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223708	0	47	0.0	-54.97	386.99	3.87	-51.10
COC1=CC(OC)=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223708	1	47	0.0	-60.09	387.74	4.00	-56.09
COC1=CC(OC)=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223708	1	47	0.0	-54.92	386.93	3.86	-51.06
COC1=CC(OC)=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223708	1	47	0.0	-60.08	387.67	4.00	-56.08
ClC1=C2SC(C3=CC=C(C[N@@H+]4CCC(C5=NN=N[N-]5)C4)C=C3)=NC2=CC=C1	REAL300020223710	0	44	0.0	-53.26	384.92	9.33	-43.93
ClC1=C2SC(C3=CC=C(C[N@H+]4CCC(C5=NN=N[N-]5)C4)C=C3)=NC2=CC=C1	REAL300020223710	1	44	0.0	-54.19	383.80	9.24	-44.95
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1C1=CC=CC=C1	REAL300020223711	1	50	0.0	-52.86	397.07	8.94	-43.92
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1C1=CC=CC=C1	REAL300020223711	1	50	0.0	-47.69	397.97	8.97	-38.72
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2(CC1)OCCO2	REAL300020223713	0	45	0.0	-49.92	340.14	3.11	-46.81
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2(CC1)OCCO2	REAL300020223713	1	45	0.0	-47.40	340.91	3.19	-44.21
CC(C)C1=CC=C(CN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020223715	0	55	0.0	-47.58	417.07	9.45	-38.13
CC(C)C1=CC=C(CN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020223715	1	55	0.0	-49.78	415.69	9.59	-40.19
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCCCC2)C=C1	REAL300020223719	1	54	0.0	-47.80	395.62	5.66	-42.14
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCCCC2)C=C1	REAL300020223719	1	54	0.0	-47.74	397.09	5.71	-42.03
CN(C)C1=CC=C(CNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223721	1	47	0.0	-46.29	369.73	4.58	-41.71
CN(C)C1=CC=C(CNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223721	1	47	0.0	-48.81	368.19	4.57	-44.24
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC=C2F)CC1	REAL300020223723	0	48	0.0	-47.26	366.92	5.23	-42.03
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC=C2F)CC1	REAL300020223723	1	48	0.0	-47.23	367.03	5.29	-41.94
C1=CC=C(C2=NC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020223726	0	40	0.0	-52.87	326.62	6.87	-46.00
C1=CC=C(C2=NC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020223726	1	40	0.0	-52.35	324.72	6.79	-45.56
O=C1N=C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)NC2=CC=CC=C12	REAL300020223727	0	40	0.0	-69.36	324.45	4.40	-64.96
O=C1N=C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)NC2=CC=CC=C12	REAL300020223727	1	40	0.0	-74.44	323.97	4.42	-70.02
O=C1N=C(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)NC2=CC=CC=C12	REAL300020223727	1	40	0.0	-69.32	324.38	4.38	-64.94
O=C1N=C(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)NC2=CC=CC=C12	REAL300020223727	1	40	0.0	-74.40	323.90	4.41	-69.99
O=C(NC1=CC=CC=C1)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223728	0	46	0.0	-50.29	369.86	7.56	-42.73
O=C(NC1=CC=CC=C1)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223728	1	46	0.0	-51.73	367.22	7.56	-44.17
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223729	0	43	0.0	-54.89	343.00	3.89	-51.00
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223729	1	43	0.0	-60.13	344.02	4.01	-56.12
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223729	1	43	0.0	-54.83	342.93	3.88	-50.95
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223729	1	43	0.0	-60.06	343.94	4.00	-56.06
NC(=O)C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223731	0	42	0.0	-50.91	358.36	3.18	-47.73
NC(=O)C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223731	1	42	0.0	-52.79	358.48	3.38	-49.41
FC1=CC=C(COC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020223734	0	46	0.0	-49.87	374.93	8.96	-40.91
FC1=CC=C(COC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020223734	1	46	0.0	-50.65	373.87	8.88	-41.77
O=S(=O)(CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020223735	1	41	0.0	-60.16	347.13	4.25	-55.91
O=S(=O)(CCC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020223735	1	41	0.0	-60.21	346.63	4.29	-55.92
CC(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223736	0	54	0.0	-69.66	417.21	4.82	-64.84
CC(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223736	1	54	0.0	-75.75	413.44	4.91	-70.84
CC1=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020223739	1	42	0.0	-57.70	347.24	5.73	-51.97
CC1=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020223739	1	42	0.0	-48.35	346.49	5.74	-42.61
CNC(=O)C1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223741	1	46	0.0	-59.59	364.83	2.93	-56.66
CNC(=O)C1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223741	1	46	0.0	-51.48	364.35	2.81	-48.67
CC(C(=O)NC1=CC=CC=C1CC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223742	1	52	0.0	-52.33	404.13	9.49	-42.84
CC(C(=O)NC1=CC=CC=C1CC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223742	1	52	0.0	-48.89	401.81	9.43	-39.46
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020223744	0	51	0.0	-56.54	393.10	7.67	-48.87
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020223744	1	51	0.0	-56.50	392.94	7.69	-48.81
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020223745	0	51	0.0	-56.03	397.46	7.77	-48.26
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020223745	1	51	0.0	-55.88	397.27	7.78	-48.10
CC(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223746	1	57	0.0	-66.78	429.42	5.45	-61.33
CC(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223746	1	57	0.0	-66.75	429.50	5.47	-61.28
FC1=CC=C(N2N=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020223747	0	46	0.0	-46.80	368.37	8.47	-38.33
FC1=CC=C(N2N=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020223747	1	46	0.0	-46.26	370.57	8.72	-37.54
C1=CC=C(N2N=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020223748	0	46	0.0	-45.48	366.22	8.52	-36.96
C1=CC=C(N2N=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020223748	1	46	0.0	-45.47	362.57	8.59	-36.88
COC(=O)C=C1SCC(=O)N1CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223749	0	44	0.0	-53.89	366.42	5.74	-48.15
COC(=O)C=C1SCC(=O)N1CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223749	1	44	0.0	-56.21	365.86	5.74	-50.47
COC(=O)C=C1SCC(=O)N1CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223749	1	44	0.0	-53.84	366.35	5.73	-48.11
COC(=O)C=C1SCC(=O)N1CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223749	1	44	0.0	-56.16	365.80	5.72	-50.44
CC1CN(C2=CC=C(NC(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300020223752	1	55	0.0	-49.54	413.09	4.56	-44.98
CC1CN(C2=CC=C(NC(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300020223752	1	55	0.0	-49.30	413.69	4.54	-44.76
COC(=O)C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223753	0	44	0.0	-48.11	378.55	7.02	-41.09
COC(=O)C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223753	1	44	0.0	-50.49	378.68	7.20	-43.29
CC1=CC=CN2C(=O)C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=C12	REAL300020223755	0	40	0.0	-50.45	324.79	6.27	-44.18
CC1=CC=CN2C(=O)C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=C12	REAL300020223755	1	40	0.0	-51.98	321.95	6.58	-45.40
CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223758	1	57	0.0	-58.71	405.07	5.87	-52.84
CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223758	1	57	0.0	-61.19	405.09	5.97	-55.22
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCC2)C=C1	REAL300020223767	1	48	0.0	-48.88	369.03	4.54	-44.34
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCC2)C=C1	REAL300020223767	1	48	0.0	-48.61	369.46	4.55	-44.06
O=C(NC1CC1)C(C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223770	1	43	0.0	-46.93	341.72	5.53	-41.40
O=C(NC1CC1)C(C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223770	1	43	0.0	-42.60	341.33	5.56	-37.04
O=S1(=O)C2=CC=CC3=CC=CC(=C23)N1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223772	0	44	0.0	-57.91	364.00	5.02	-52.89
O=S1(=O)C2=CC=CC3=CC=CC(=C23)N1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223772	1	44	0.0	-59.11	364.02	4.99	-54.12
CCOC(=O)C1=C(C)C(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020223776	1	47	0.0	-53.89	382.69	6.19	-47.70
CCOC(=O)C1=C(C)C(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020223776	1	47	0.0	-51.21	383.41	6.25	-44.96
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223777	0	38	0.0	-61.04	317.20	6.22	-54.82
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223777	1	38	0.0	-61.08	317.43	6.25	-54.83
CC(C(=O)NCCC1=CC=C2OCCOC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223779	0	51	0.0	-60.32	399.95	4.60	-55.72
CC(C(=O)NCCC1=CC=C2OCCOC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223779	1	51	0.0	-55.58	398.89	4.64	-50.94
CC(C(=O)NC1=CC=CC2=NC=CC=C12)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223780	0	44	0.0	-50.36	346.52	5.13	-45.23
CC(C(=O)NC1=CC=CC2=NC=CC=C12)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223780	1	44	0.0	-57.46	344.73	5.09	-52.37
CC(C(=O)NCC1COC2=CC=CC=C2O1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223781	1	48	0.0	-47.92	377.76	3.98	-43.94
CC(C(=O)NCC1COC2=CC=CC=C2O1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223781	1	48	0.0	-50.78	377.92	4.01	-46.77
CC(C(=O)NC1=CC=CC(C#N)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223786	1	40	0.0	-57.17	329.22	5.04	-52.13
CC(C(=O)NC1=CC=CC(C#N)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223786	1	40	0.0	-49.98	328.74	4.92	-45.06
CC(C(=O)NC1=CC=CC=C1C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223787	0	49	0.0	-43.64	384.34	8.58	-35.06
CC(C(=O)NC1=CC=CC=C1C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223787	1	49	0.0	-50.11	383.08	8.55	-41.56
CC1=CC2=C(C=C1C(C)C)C(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)=CC(=O)O2	REAL300020223789	0	49	0.0	-55.74	380.92	9.39	-46.35
CC1=CC2=C(C=C1C(C)C)C(C[N@H+]1CCC(C3=NN=N[N-]3)C1)=CC(=O)O2	REAL300020223789	1	49	0.0	-55.61	380.90	9.40	-46.21
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C(O)C=C2O1	REAL300020223790	0	38	0.0	-61.49	313.62	4.15	-57.34
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C(O)C=C2O1	REAL300020223790	1	38	0.0	-60.74	312.23	4.12	-56.62
CCC1=CC=C2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223792	0	43	0.0	-58.35	345.54	8.44	-49.91
CCC1=CC=C2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223792	1	43	0.0	-57.23	346.68	8.41	-48.82
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC3=C(C=C2O1)CCC3	REAL300020223793	0	44	0.0	-57.35	348.20	8.91	-48.44
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC3=C(C=C2O1)CCC3	REAL300020223793	1	44	0.0	-56.64	346.80	8.87	-47.77
CCOC(=O)NC1=CC=C2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223794	0	48	0.0	-67.66	391.30	6.15	-61.51
CCOC(=O)NC1=CC=C2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223794	1	48	0.0	-66.69	389.91	6.12	-60.57
CC1=CC=C2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1C	REAL300020223795	0	43	0.0	-57.39	338.20	8.12	-49.27
CC1=CC=C2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1C	REAL300020223795	1	43	0.0	-56.98	340.74	8.12	-48.86
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223797	0	40	0.0	-39.73	312.08	8.43	-31.30
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223797	1	40	0.0	-41.04	312.18	8.50	-32.54
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223797	1	40	0.0	-39.68	312.01	8.42	-31.26
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223797	1	40	0.0	-40.94	312.10	8.50	-32.44
CC(C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223799	1	49	0.0	-59.04	371.82	4.50	-54.54
CC(C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223799	1	49	0.0	-68.03	371.69	4.48	-63.55
CC1=CC2=C(C=C1C)C(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)=CC(=O)O2	REAL300020223800	0	43	0.0	-56.58	339.33	8.16	-48.42
CC1=CC2=C(C=C1C)C(C[N@H+]1CCC(C3=NN=N[N-]3)C1)=CC(=O)O2	REAL300020223800	1	43	0.0	-56.40	341.90	8.16	-48.24
COC(=O)C1=CC=C(CNC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223801	1	48	0.0	-47.98	388.81	5.34	-42.64
COC(=O)C1=CC=C(CNC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223801	1	48	0.0	-48.62	388.97	5.32	-43.30
CC(C(=O)N(CCC#N)C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223802	1	46	0.0	-54.23	357.03	6.88	-47.35
CC(C(=O)N(CCC#N)C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223802	1	46	0.0	-54.39	356.69	7.03	-47.36
N#CC1=CC=CC=C1C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223806	0	43	0.0	-48.98	355.91	9.27	-39.71
N#CC1=CC=CC=C1C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223806	1	43	0.0	-50.00	354.14	9.24	-40.76
CCCCC(C(=O)NC1=NOC(C)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223807	1	47	0.0	-50.61	357.65	5.81	-44.80
CCCCC(C(=O)NC1=NOC(C)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223807	1	47	0.0	-56.34	363.56	5.98	-50.36
FC1=CC=C(C(CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C(F)C=C2)C=C1	REAL300020223808	0	51	0.0	-54.66	404.87	11.18	-43.48
FC1=CC=C(C(CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C(F)C=C2)C=C1	REAL300020223808	1	51	0.0	-54.68	404.31	11.18	-43.50
FC1=CC=C(C(CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C2=CC=C(F)C=C2)C=C1	REAL300020223808	1	51	0.0	-54.66	404.80	11.17	-43.49
FC1=CC=C(C(CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C2=CC=C(F)C=C2)C=C1	REAL300020223808	1	51	0.0	-54.65	404.24	11.16	-43.49
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223809	0	45	0.0	-59.17	369.69	4.69	-54.48
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223809	1	45	0.0	-64.26	370.43	4.82	-59.44
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223809	1	45	0.0	-59.15	369.62	4.68	-54.47
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223809	1	45	0.0	-64.27	370.36	4.82	-59.45
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223810	0	45	0.0	-59.53	366.33	5.00	-54.53
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223810	1	45	0.0	-58.12	367.55	5.04	-53.08
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020223810	1	45	0.0	-59.52	366.25	4.98	-54.54
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020223810	1	45	0.0	-58.09	367.47	5.04	-53.05
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020223811	0	41	0.0	-54.35	336.13	5.55	-48.80
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020223811	1	41	0.0	-57.65	336.88	5.68	-51.97
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020223811	1	41	0.0	-54.30	336.06	5.55	-48.75
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020223811	1	41	0.0	-57.63	336.81	5.68	-51.95
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223812	0	44	0.0	-61.15	359.54	6.12	-55.03
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223812	1	44	0.0	-67.71	361.23	6.29	-61.42
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223812	1	44	0.0	-61.12	359.48	6.11	-55.01
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223812	1	44	0.0	-67.59	361.16	6.28	-61.31
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C([N+](=O)[O-])C=C1	REAL300020223813	0	41	0.0	-61.20	341.96	5.26	-55.94
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C([N+](=O)[O-])C=C1	REAL300020223813	1	41	0.0	-66.24	342.43	5.40	-60.84
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C([N+](=O)[O-])C=C1	REAL300020223813	1	41	0.0	-61.18	341.89	5.25	-55.93
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C([N+](=O)[O-])C=C1	REAL300020223813	1	41	0.0	-66.21	342.36	5.39	-60.82
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223814	0	44	0.0	-67.23	359.01	6.19	-61.04
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223814	1	44	0.0	-66.05	361.21	6.28	-59.77
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223814	1	44	0.0	-67.17	358.94	6.18	-60.99
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223814	1	44	0.0	-66.04	361.14	6.27	-59.77
N#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223815	0	40	0.0	-58.06	334.59	4.99	-53.07
N#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223815	1	40	0.0	-63.22	335.34	5.11	-58.11
N#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223815	1	40	0.0	-58.06	334.52	4.99	-53.07
N#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223815	1	40	0.0	-63.20	335.27	5.11	-58.09
CC1=CC=CC=C1C(=O)NC1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223818	0	56	0.0	-50.26	427.11	6.38	-43.88
CC1=CC=CC=C1C(=O)NC1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223818	1	56	0.0	-53.53	426.19	6.41	-47.12
CC(C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223822	1	52	0.0	-59.63	379.47	6.14	-53.49
CC(C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223822	1	52	0.0	-65.26	376.66	6.07	-59.19
CC(C(=O)N1C2=CC=CC=C2CCC1C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223823	0	49	0.0	-48.36	356.11	7.30	-41.06
CC(C(=O)N1C2=CC=CC=C2CCC1C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223823	1	49	0.0	-41.54	357.04	7.32	-34.22
C=CCN(CC1=CC=CS1)C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223825	1	46	0.0	-46.91	373.80	7.20	-39.71
C=CCN(CC1=CC=CS1)C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223825	1	46	0.0	-42.96	368.10	7.00	-35.96
CC(=O)NC1=CC=C2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223829	0	44	0.0	-69.22	358.62	5.89	-63.33
CC(=O)NC1=CC=C2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223829	1	44	0.0	-68.36	357.22	5.88	-62.48
CC(C(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223830	1	53	0.0	-58.10	419.56	7.77	-50.33
CC(C(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223830	1	53	0.0	-49.71	417.58	7.82	-41.89
COC1=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020223833	0	51	0.0	-64.91	405.99	3.77	-61.14
COC1=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020223833	1	51	0.0	-65.10	406.14	3.87	-61.23
COC1=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020223833	1	51	0.0	-64.87	405.92	3.76	-61.11
COC1=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020223833	1	51	0.0	-65.03	406.06	3.86	-61.17
COC1=CC=C(CN2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223835	1	55	0.0	-47.97	417.69	4.80	-43.17
COC1=CC=C(CN2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223835	1	55	0.0	-47.40	417.10	4.66	-42.74
CCN1C2=CC=CC(F)=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223836	1	41	0.0	-51.95	330.71	6.89	-45.06
CCN1C2=CC=CC(F)=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223836	1	41	0.0	-52.52	333.61	7.03	-45.49
CN1N=CC2=C(N3CCN(C(=O)C[N@@H+]4CCC(C5=NN=N[N-]5)C4)CC3)N=CN=C21	REAL300020223837	0	52	0.0	-55.37	402.38	5.20	-50.17
CN1N=CC2=C(N3CCN(C(=O)C[N@H+]4CCC(C5=NN=N[N-]5)C4)CC3)N=CN=C21	REAL300020223837	1	52	0.0	-55.71	402.53	5.21	-50.50
CC(C(=O)NCC1=CC=C(CN2CCOCC2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223840	1	58	0.0	-43.99	441.98	3.59	-40.40
CC(C(=O)NCC1=CC=C(CN2CCOCC2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223840	1	58	0.0	-44.18	443.05	3.76	-40.42
COC1=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=CC=C1O	REAL300020223841	0	43	0.0	-47.42	364.16	3.52	-43.90
COC1=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=CC=C1O	REAL300020223841	1	43	0.0	-49.96	362.44	3.87	-46.09
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CSC=C2)CC1	REAL300020223844	1	48	0.0	-47.23	378.53	4.52	-42.71
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CSC=C2)CC1	REAL300020223844	1	48	0.0	-46.16	378.65	4.56	-41.60
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CO2)CC1	REAL300020223845	1	48	0.0	-48.22	369.54	3.67	-44.55
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CO2)CC1	REAL300020223845	1	48	0.0	-47.96	369.70	3.71	-44.25
CC(C)CC(=O)NNC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223850	1	45	0.0	-45.99	349.58	2.46	-43.53
CC(C)CC(=O)NNC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223850	1	45	0.0	-48.22	349.25	2.47	-45.75
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC1=CC=CC(C#N)=C1	REAL300020223853	0	51	0.0	-54.56	419.29	9.10	-45.46
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC1=CC=CC(C#N)=C1	REAL300020223853	1	51	0.0	-55.14	418.55	9.17	-45.97
O=C1C2=CC=CC=C2N=CN1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223854	0	40	0.0	-53.68	325.26	6.54	-47.14
O=C1C2=CC=CC=C2N=CN1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223854	1	40	0.0	-60.31	325.29	6.58	-53.73
O=C1OC2=CC=C([N+](=O)[O-])C=C2N1CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223855	0	43	0.0	-56.02	363.32	7.35	-48.67
O=C1OC2=CC=C([N+](=O)[O-])C=C2N1CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223855	1	43	0.0	-56.96	362.16	7.38	-49.58
O=C1OC2=CC=C([N+](=O)[O-])C=C2N1CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223855	1	43	0.0	-56.04	363.25	7.34	-48.70
O=C1OC2=CC=C([N+](=O)[O-])C=C2N1CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223855	1	43	0.0	-56.95	362.08	7.37	-49.58
CCOC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NC2=NC(C(F)(F)F)=NN21	REAL300020223857	0	43	0.0	-61.21	365.80	7.15	-54.06
CCOC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NC2=NC(C(F)(F)F)=NN21	REAL300020223857	1	43	0.0	-61.29	365.77	7.16	-54.13
O=P(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223858	0	48	0.0	-56.63	396.75	8.65	-47.98
O=P(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223858	1	48	0.0	-56.45	396.78	8.59	-47.86
O=P(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223858	1	48	0.0	-56.57	396.68	8.64	-47.93
O=P(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223858	1	48	0.0	-56.42	396.71	8.59	-47.83
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1	REAL300020223862	0	39	0.0	-54.04	330.22	5.12	-48.92
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1	REAL300020223862	1	39	0.0	-59.24	330.97	5.25	-53.99
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1	REAL300020223862	1	39	0.0	-54.01	330.15	5.11	-48.90
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1	REAL300020223862	1	39	0.0	-59.18	330.90	5.24	-53.94
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1	REAL300020223863	0	39	0.0	-54.09	334.78	5.22	-48.87
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1	REAL300020223863	1	39	0.0	-59.23	335.54	5.35	-53.88
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1	REAL300020223863	1	39	0.0	-53.97	334.71	5.22	-48.75
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1	REAL300020223863	1	39	0.0	-59.21	335.46	5.35	-53.86
CCOC(=O)C1=C2NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N2N=C1	REAL300020223864	0	44	0.0	-66.98	366.84	5.01	-61.97
CCOC(=O)C1=C2NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N2N=C1	REAL300020223864	1	44	0.0	-64.17	365.93	5.01	-59.16
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1Br	REAL300020223868	0	39	0.0	-56.38	332.15	5.45	-50.93
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1Br	REAL300020223868	1	39	0.0	-55.22	333.37	5.49	-49.73
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1Br	REAL300020223868	1	39	0.0	-56.30	332.08	5.43	-50.87
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1Br	REAL300020223868	1	39	0.0	-55.21	333.30	5.49	-49.72
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(F)C=C1	REAL300020223869	0	39	0.0	-54.85	319.90	4.66	-50.19
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(F)C=C1	REAL300020223869	1	39	0.0	-60.05	320.66	4.80	-55.25
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(F)C=C1	REAL300020223869	1	39	0.0	-54.88	319.84	4.66	-50.22
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(F)C=C1	REAL300020223869	1	39	0.0	-60.01	320.59	4.79	-55.22
CC1=CC=C(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223870	0	42	0.0	-51.07	336.68	8.08	-42.99
CC1=CC=C(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223870	1	42	0.0	-47.72	337.88	8.06	-39.66
CC1=CC=C(SCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020223870	1	42	0.0	-51.02	336.61	8.06	-42.96
CC1=CC=C(SCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020223870	1	42	0.0	-47.68	337.82	8.05	-39.63
CN1C=CN=C1COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223871	0	46	0.0	-54.03	369.04	7.30	-46.73
CN1C=CN=C1COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223871	1	46	0.0	-55.35	369.52	7.23	-48.12
CN1C2=CC=C(Cl)C=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223872	1	38	0.0	-47.81	317.35	6.10	-41.71
CN1C2=CC=C(Cl)C=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223872	1	38	0.0	-54.76	316.75	6.07	-48.69
CC(C1=CC=CC(NC(=O)C2=CC=CC=C2)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223873	0	49	0.0	-44.53	385.94	8.21	-36.32
CC(C1=CC=CC(NC(=O)C2=CC=CC=C2)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223873	1	49	0.0	-45.39	384.73	8.22	-37.17
CC(C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223878	1	39	0.0	-51.70	328.92	2.28	-49.42
CC(C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223878	1	39	0.0	-56.73	328.57	2.28	-54.45
CC1=CC(C)=NN1C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223879	0	45	0.0	-53.99	356.38	7.81	-46.18
CC1=CC(C)=NN1C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223879	1	45	0.0	-55.95	356.86	7.74	-48.21
CC1=NC(C#N)=C(N2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)O1	REAL300020223880	0	48	0.0	-56.07	383.93	0.66	-55.41
CC1=NC(C#N)=C(N2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)O1	REAL300020223880	1	48	0.0	-53.74	384.10	0.66	-53.08
N#CC1=C2NC3=CC=CC=C3N2C(=O)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223881	0	43	0.0	-55.68	358.60	7.32	-48.36
N#CC1=C2NC3=CC=CC=C3N2C(=O)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223881	1	43	0.0	-55.80	357.06	7.32	-48.48
CC1=CC=C(S(=O)(=O)C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020223882	0	48	0.0	-55.99	397.07	7.05	-48.94
CC1=CC=C(S(=O)(=O)C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020223882	1	48	0.0	-55.96	396.97	7.05	-48.91
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Br)=C1	REAL300020223884	0	39	0.0	-55.54	334.84	5.28	-50.26
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Br)=C1	REAL300020223884	1	39	0.0	-57.01	335.11	5.24	-51.77
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Br)=C1	REAL300020223884	1	39	0.0	-55.46	334.76	5.27	-50.19
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Br)=C1	REAL300020223884	1	39	0.0	-57.02	335.05	5.23	-51.79
CC(C)OC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=C1	REAL300020223886	0	48	0.0	-40.18	364.13	8.82	-31.36
CC(C)OC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=C1	REAL300020223886	1	48	0.0	-39.49	366.13	8.73	-30.76
CC(C)OC1=C(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=C1	REAL300020223886	1	48	0.0	-40.12	364.06	8.82	-31.30
CC(C)OC1=C(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=C1	REAL300020223886	1	48	0.0	-39.47	366.07	8.72	-30.75
COC1=CC=C(C2CCCCCN2C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223887	1	56	0.0	-50.69	410.13	7.86	-42.83
COC1=CC=C(C2CCCCCN2C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223887	1	56	0.0	-52.62	410.05	7.88	-44.74
CCOC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223888	0	53	0.0	-47.79	410.31	7.86	-39.93
CCOC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223888	1	53	0.0	-51.38	409.69	7.82	-43.56
COCCN1C(=O)NC(=O)C(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223898	1	46	0.0	-50.05	363.56	1.67	-48.38
COCCN1C(=O)NC(=O)C(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223898	1	46	0.0	-47.82	362.10	1.56	-46.26
CC(C)CN1C(=O)NC(=O)C(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223899	1	48	0.0	-47.21	367.07	3.17	-44.04
CC(C)CN1C(=O)NC(=O)C(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223899	1	48	0.0	-45.00	366.61	2.92	-42.08
O=C(NC1=CC=CC=C1)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223903	0	46	0.0	-57.07	367.98	7.53	-49.54
O=C(NC1=CC=CC=C1)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223903	1	46	0.0	-58.45	369.46	7.55	-50.90
CN1N=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020223905	1	35	0.0	-44.39	293.09	4.17	-40.22
CN1N=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020223905	1	35	0.0	-48.33	291.01	4.20	-44.13
CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223906	1	44	0.0	-57.07	343.69	3.71	-53.36
CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223906	1	44	0.0	-51.71	343.46	3.76	-47.95
CCOC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223911	1	46	0.0	-56.99	359.65	4.72	-52.27
CCOC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223911	1	46	0.0	-48.51	357.68	4.77	-43.74
COC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223912	1	43	0.0	-57.35	337.05	3.78	-53.57
COC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223912	1	43	0.0	-48.67	335.82	3.83	-44.84
COC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223916	1	47	0.0	-48.87	366.73	3.74	-45.13
COC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223916	1	47	0.0	-51.31	365.75	3.74	-47.57
CC(C(=O)NCCC1=CC=C(S(N)(=O)=O)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223917	0	50	0.0	-58.14	409.44	0.42	-57.72
CC(C(=O)NCCC1=CC=C(S(N)(=O)=O)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223917	1	50	0.0	-53.91	409.69	0.44	-53.47
CC(C(=O)NC1=CC=C2NC(=O)NC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223919	1	43	0.0	-52.99	343.55	1.37	-51.62
CC(C(=O)NC1=CC=C2NC(=O)NC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223919	1	43	0.0	-57.37	343.29	1.39	-55.98
CC(=O)C1=CC=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223922	1	44	0.0	-48.38	344.36	5.42	-42.96
CC(=O)C1=CC=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223922	1	44	0.0	-43.69	341.89	5.42	-38.27
CC(C(=O)NC(=O)NCC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223925	1	46	0.0	-51.22	369.48	4.81	-46.41
CC(C(=O)NC(=O)NCC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223925	1	46	0.0	-56.25	369.15	4.82	-51.43
CC(C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223926	1	45	0.0	-50.75	343.42	2.86	-47.89
CC(C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223926	1	45	0.0	-66.67	343.25	2.84	-63.83
CC(C(=O)NC(=O)NC1=CC=C2OCCOC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223927	1	49	0.0	-65.05	387.93	3.74	-61.31
CC(C(=O)NC(=O)NC1=CC=C2OCCOC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223927	1	49	0.0	-71.46	388.07	3.70	-67.76
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NN1C(=O)NC2(CCCCC2)C1=O	REAL300020223933	0	51	0.0	-57.85	399.22	2.77	-55.08
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NN1C(=O)NC2(CCCCC2)C1=O	REAL300020223933	1	51	0.0	-62.94	399.96	2.91	-60.03
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NN1C(=O)NC2(CCCCC2)C1=O	REAL300020223933	1	51	0.0	-57.80	399.15	2.77	-55.03
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NN1C(=O)NC2(CCCCC2)C1=O	REAL300020223933	1	51	0.0	-62.89	399.89	2.90	-59.99
N#CC1=CC=C(N2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223934	1	41	0.0	-54.74	332.61	6.17	-48.57
N#CC1=CC=C(N2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223934	1	41	0.0	-54.58	331.60	6.27	-48.31
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OCOC2=C1	REAL300020223935	0	42	0.0	-59.23	339.64	3.31	-55.92
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OCOC2=C1	REAL300020223935	1	42	0.0	-56.61	339.55	3.27	-53.34
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OCOC2=C1	REAL300020223935	1	42	0.0	-59.15	339.56	3.30	-55.85
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OCOC2=C1	REAL300020223935	1	42	0.0	-56.54	339.49	3.25	-53.29
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=C(Cl)C=CC=C1Cl	REAL300020223936	0	39	0.0	-55.43	350.52	6.01	-49.42
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=C(Cl)C=CC=C1Cl	REAL300020223936	1	39	0.0	-56.89	349.50	6.06	-50.83
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=C(Cl)C=CC=C1Cl	REAL300020223936	1	39	0.0	-55.43	350.45	6.00	-49.43
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=C(Cl)C=CC=C1Cl	REAL300020223936	1	39	0.0	-56.83	349.42	6.05	-50.78
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC(Cl)=CC=C1Cl	REAL300020223937	0	39	0.0	-51.78	345.22	5.76	-46.02
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC(Cl)=CC=C1Cl	REAL300020223937	1	39	0.0	-56.76	345.94	5.88	-50.88
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC(Cl)=CC=C1Cl	REAL300020223937	1	39	0.0	-51.73	345.15	5.76	-45.97
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC(Cl)=CC=C1Cl	REAL300020223937	1	39	0.0	-56.70	345.87	5.88	-50.82
CC(C1=NC(=O)C2=CC=CC=C2N1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223944	1	40	0.0	-58.27	316.07	4.75	-53.52
CC(C1=NC(=O)C2=CC=CC=C2N1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223944	1	40	0.0	-75.13	317.48	4.73	-70.40
CC1=C(O)C=CC2=C1OC(=O)C=C2C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223946	0	41	0.0	-59.91	330.84	4.83	-55.08
CC1=C(O)C=CC2=C1OC(=O)C=C2C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223946	1	41	0.0	-60.03	333.39	4.83	-55.20
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020223951	0	50	0.0	-55.66	391.79	5.92	-49.74
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020223951	1	50	0.0	-55.74	391.95	5.95	-49.79
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223955	0	45	0.0	-54.32	357.08	7.03	-47.29
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223955	1	45	0.0	-59.57	356.84	7.13	-52.44
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223955	1	45	0.0	-54.26	357.01	7.02	-47.24
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223955	1	45	0.0	-59.57	356.76	7.12	-52.45
NS(=O)(=O)C1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223956	0	44	0.0	-62.94	367.77	-0.39	-63.33
NS(=O)(=O)C1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223956	1	44	0.0	-64.26	368.06	-0.43	-64.69
NS(=O)(=O)C1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223956	1	44	0.0	-62.91	367.70	-0.40	-63.31
NS(=O)(=O)C1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223956	1	44	0.0	-64.27	367.99	-0.44	-64.71
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223957	0	52	0.0	-54.39	397.52	3.42	-50.97
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223957	1	52	0.0	-59.72	398.57	3.54	-56.18
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223957	1	52	0.0	-54.34	397.46	3.42	-50.92
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223957	1	52	0.0	-59.68	398.49	3.54	-56.14
NC(=O)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223958	0	43	0.0	-59.90	348.21	1.38	-58.52
NC(=O)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223958	1	43	0.0	-64.12	348.94	1.51	-62.61
NC(=O)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223958	1	43	0.0	-59.88	348.14	1.38	-58.50
NC(=O)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223958	1	43	0.0	-64.13	348.87	1.51	-62.62
COC1=CC=CC=C1N1CCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020223959	1	44	0.0	-46.95	348.95	5.47	-41.48
COC1=CC=CC=C1N1CCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020223959	1	44	0.0	-57.95	348.61	5.59	-52.36
CC1=C(Br)C=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223961	0	35	0.0	-47.92	292.27	6.71	-41.21
CC1=C(Br)C=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223961	1	35	0.0	-45.22	289.84	6.74	-38.48
ClC1=CC2=NC=CC(SCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020223965	0	41	0.0	-58.80	353.10	7.65	-51.15
ClC1=CC2=NC=CC(SCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020223965	1	41	0.0	-57.69	354.05	7.61	-50.08
ClC1=CC2=NC=CC(SCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020223965	1	41	0.0	-58.77	353.03	7.63	-51.14
ClC1=CC2=NC=CC(SCC[N@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020223965	1	41	0.0	-57.70	353.98	7.59	-50.11
COC(=O)C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C(=O)OC)=C1	REAL300020223966	0	44	0.0	-54.27	365.66	6.81	-47.46
COC(=O)C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C(=O)OC)=C1	REAL300020223966	1	44	0.0	-53.92	367.45	6.85	-47.07
C1=NN(CC2=CC=CC=C2)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223969	0	42	0.0	-51.59	342.05	7.21	-44.38
C1=NN(CC2=CC=CC=C2)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223969	1	42	0.0	-50.60	340.83	7.21	-43.39
CC(C)(C)OC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223970	0	44	0.0	-45.78	339.24	5.80	-39.98
CC(C)(C)OC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223970	1	44	0.0	-46.78	334.05	5.80	-40.98
FC(F)(F)C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223971	0	41	0.0	-52.62	354.67	5.05	-47.57
FC(F)(F)C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223971	1	41	0.0	-49.40	354.26	5.16	-44.24
BrC1=CC=C2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020223972	0	39	0.0	-46.17	308.36	7.55	-38.62
BrC1=CC=C2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020223972	1	39	0.0	-42.25	309.55	7.67	-34.58
CN(C)S(=O)(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223974	0	43	0.0	-55.34	352.84	3.62	-51.72
CN(C)S(=O)(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223974	1	43	0.0	-56.58	353.34	3.54	-53.04
FC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223975	0	36	0.0	-51.94	308.21	6.13	-45.81
FC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223975	1	36	0.0	-54.06	309.77	5.92	-48.14
BrC1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223976	1	36	0.0	-48.90	306.19	6.18	-42.72
BrC1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223976	1	36	0.0	-51.51	307.75	5.96	-45.55
CC1=C(Br)C=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223977	0	35	0.0	-47.92	292.27	6.71	-41.21
CC1=C(Br)C=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223977	1	35	0.0	-45.22	289.84	6.74	-38.48
CC(C)(C)OC(=O)NC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223978	0	49	0.0	-50.90	380.55	5.79	-45.11
CC(C)(C)OC(=O)NC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223978	1	49	0.0	-51.31	377.24	5.78	-45.53
FC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC1=CC=CC=C1	REAL300020223980	0	43	0.0	-54.27	354.21	8.49	-45.78
FC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC1=CC=CC=C1	REAL300020223980	1	43	0.0	-54.24	354.71	8.54	-45.70
FC(F)(F)OC1=CC=CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223981	0	39	0.0	-53.66	326.70	6.28	-47.38
FC(F)(F)OC1=CC=CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223981	1	39	0.0	-54.28	325.47	6.23	-48.05
FC(F)(F)OC1=CC=CC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223981	1	39	0.0	-53.65	326.62	6.28	-47.37
FC(F)(F)OC1=CC=CC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223981	1	39	0.0	-54.19	325.40	6.21	-47.98
CCOC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223982	0	45	0.0	-51.36	367.28	4.28	-47.08
CCOC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223982	1	45	0.0	-46.60	367.32	4.33	-42.27
CCCCCCCCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223983	0	55	0.0	-46.10	413.07	10.44	-35.66
CCCCCCCCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223983	1	55	0.0	-45.86	414.26	10.49	-35.37
CCCCCCCCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223983	1	55	0.0	-46.05	412.99	10.42	-35.63
CCCCCCCCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223983	1	55	0.0	-45.79	414.19	10.49	-35.30
CC(C)(C)OC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223985	0	47	0.0	-53.16	365.89	8.23	-44.93
CC(C)(C)OC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223985	1	47	0.0	-53.61	367.38	8.24	-45.37
OC(CC1=CC=C(C(F)(F)F)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223986	0	42	0.0	-52.04	349.72	5.00	-47.04
OC(CC1=CC=C(C(F)(F)F)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223986	1	42	0.0	-53.37	346.24	5.37	-48.00
COC(=O)C1=C(C)C=C(C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020223987	0	41	0.0	-53.86	332.47	5.68	-48.18
COC(=O)C1=C(C)C=C(C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020223987	1	41	0.0	-48.60	331.97	5.71	-42.89
C1=C(C2=CC=CC=C2)SC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223988	0	38	0.0	-44.42	322.34	6.50	-37.92
C1=C(C2=CC=CC=C2)SC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223988	1	38	0.0	-46.96	321.13	6.39	-40.57
CC(C)OC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223989	0	44	0.0	-54.16	353.11	7.81	-46.35
CC(C)OC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223989	1	44	0.0	-54.66	353.06	7.83	-46.83
COC(=O)CN1C=C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020223990	0	40	0.0	-60.89	331.48	3.88	-57.01
COC(=O)CN1C=C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020223990	1	40	0.0	-63.36	330.99	3.90	-59.46
COC(=O)CN1C=C(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020223990	1	40	0.0	-60.85	331.41	3.86	-56.99
COC(=O)CN1C=C(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020223990	1	40	0.0	-63.31	330.92	3.89	-59.42
CN(C(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223991	0	42	0.0	-55.64	335.62	6.39	-49.25
CN(C(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223991	1	42	0.0	-59.38	335.15	6.41	-52.97
CN(C(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020223991	1	42	0.0	-55.59	335.55	6.38	-49.21
CN(C(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020223991	1	42	0.0	-59.31	335.08	6.39	-52.92
OC1(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2C3CC4C5CC(C42)C1C53	REAL300020223992	0	46	0.0	-47.68	314.11	4.69	-42.99
OC1(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2C3CC4C5CC(C42)C1C53	REAL300020223992	1	46	0.0	-47.83	317.33	4.85	-42.98
OC1(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C2C3CC4C5CC(C42)C1C53	REAL300020223992	1	46	0.0	-47.61	314.03	4.69	-42.92
OC1(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C2C3CC4C5CC(C42)C1C53	REAL300020223992	1	46	0.0	-47.78	317.26	4.84	-42.94
FC1=CC=CC(F)=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020223996	1	38	0.0	-53.16	325.05	4.44	-48.72
FC1=CC=CC(F)=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020223996	1	38	0.0	-47.42	325.03	4.50	-42.92
CC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300020223997	0	43	0.0	-47.26	366.73	7.95	-39.31
CC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300020223997	1	43	0.0	-48.63	366.37	8.11	-40.52
COC(=O)CC1=CC=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223998	0	41	0.0	-41.35	324.90	7.11	-34.24
COC(=O)CC1=CC=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223998	1	41	0.0	-47.52	328.13	7.01	-40.51
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Br	REAL300020223999	0	36	0.0	-46.59	300.63	4.15	-42.44
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Br	REAL300020223999	1	36	0.0	-46.21	301.80	3.86	-42.35
BrC1=CC=C(C2=NC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224000	0	40	0.0	-47.97	349.65	7.46	-40.51
BrC1=CC=C(C2=NC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224000	1	40	0.0	-50.74	347.83	7.83	-42.91
O=C1C=CC([N+](=O)[O-])=CN1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224002	0	37	0.0	-61.82	312.77	5.42	-56.40
O=C1C=CC([N+](=O)[O-])=CN1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224002	1	37	0.0	-62.94	311.98	5.37	-57.57
O=C1C=CC([N+](=O)[O-])=CN1CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224002	1	37	0.0	-61.73	312.70	5.41	-56.32
O=C1C=CC([N+](=O)[O-])=CN1CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224002	1	37	0.0	-62.87	311.91	5.36	-57.51
CN(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224003	1	42	0.0	-46.29	334.27	6.28	-40.01
CN(CC1=CC=CC=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224003	1	42	0.0	-48.44	333.89	6.24	-42.20
ClC1=CC=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224004	0	40	0.0	-51.05	336.36	6.61	-44.44
ClC1=CC=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224004	1	40	0.0	-51.47	336.12	6.69	-44.78
FC(F)OC1=C(Br)C=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224005	1	36	0.0	-44.49	307.73	5.96	-38.53
FC(F)OC1=C(Br)C=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224005	1	36	0.0	-45.46	312.34	5.83	-39.63
CC(C1=CC(Cl)=CC=C1Cl)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224006	0	35	0.0	-40.56	300.40	6.97	-33.59
CC(C1=CC(Cl)=CC=C1Cl)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224006	1	35	0.0	-44.71	300.51	6.98	-37.73
OC1(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2C3CC4C5CC(C2C35)C41	REAL300020224008	0	46	0.0	-47.57	315.61	5.43	-42.14
OC1(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2C3CC4C5CC(C2C35)C41	REAL300020224008	1	46	0.0	-45.42	315.13	4.67	-40.75
OC1(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C2C3CC4C5CC(C2C35)C41	REAL300020224008	1	46	0.0	-47.57	315.54	5.42	-42.15
OC1(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C2C3CC4C5CC(C2C35)C41	REAL300020224008	1	46	0.0	-45.44	315.07	4.66	-40.78
O=[N+]([O-])C1=CC=CC(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224009	0	38	0.0	-58.47	312.76	4.31	-54.16
O=[N+]([O-])C1=CC=CC(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224009	1	38	0.0	-60.20	311.10	4.35	-55.85
FC1=CC=CC(F)=C1N1C=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224010	1	39	0.0	-50.76	326.13	6.86	-43.90
FC1=CC=CC(F)=C1N1C=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224010	1	39	0.0	-45.68	325.89	6.86	-38.82
C(C1=NN=C(C2CC2)N1C1CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224012	1	42	0.0	-48.85	335.11	7.44	-41.41
C(C1=NN=C(C2CC2)N1C1CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224012	1	42	0.0	-52.15	332.86	7.19	-44.96
O=C1C2=CC=CC=C2C(=O)N1CCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224013	0	51	0.0	-51.59	410.79	8.29	-43.30
O=C1C2=CC=CC=C2C(=O)N1CCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224013	1	51	0.0	-53.61	411.52	8.42	-45.19
O=C1C2=CC=CC=C2C(=O)N1CCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224013	1	51	0.0	-51.54	410.72	8.29	-43.25
O=C1C2=CC=CC=C2C(=O)N1CCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224013	1	51	0.0	-53.55	411.44	8.42	-45.13
O=[N+]([O-])C1=CC=CC=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224015	0	42	0.0	-61.83	343.70	4.56	-57.27
O=[N+]([O-])C1=CC=CC=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224015	1	42	0.0	-61.61	345.88	4.40	-57.21
COC1=CC(Br)=CC=C1CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224016	0	42	0.0	-47.39	351.13	7.13	-40.26
COC1=CC(Br)=CC=C1CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224016	1	42	0.0	-48.80	350.49	7.19	-41.61
COC1=CC(Br)=CC=C1CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224016	1	42	0.0	-47.35	351.07	7.13	-40.22
COC1=CC(Br)=CC=C1CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224016	1	42	0.0	-48.80	350.42	7.18	-41.62
FC1=CC=C(N2C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1Cl	REAL300020224017	1	38	0.0	-60.93	334.88	5.95	-54.98
FC1=CC=C(N2C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1Cl	REAL300020224017	1	38	0.0	-51.42	334.46	6.05	-45.37
OC(COC1=CC=CC=C1C(F)(F)F)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224019	0	43	0.0	-54.97	357.29	4.05	-50.92
OC(COC1=CC=CC=C1C(F)(F)F)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224019	1	43	0.0	-55.22	353.47	4.39	-50.83
O=[N+]([O-])C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020224020	1	34	0.0	-56.57	297.44	6.70	-49.87
O=[N+]([O-])C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020224020	1	34	0.0	-57.93	300.24	6.74	-51.19
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224021	0	43	0.0	-54.89	343.00	3.89	-51.00
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224021	1	43	0.0	-60.13	344.02	4.01	-56.12
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224021	1	43	0.0	-54.83	342.93	3.88	-50.95
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224021	1	43	0.0	-60.06	343.94	4.00	-56.06
CCN(CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020224023	0	42	0.0	-49.49	325.06	4.06	-45.43
CCN(CCC[N@H+]1CCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020224023	1	42	0.0	-49.26	328.47	4.42	-44.84
CCN(CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1)CC(F)(F)F	REAL300020224023	1	42	0.0	-49.45	324.99	4.05	-45.40
CCN(CCC[N@H+]1CCC(C2=N[N-]N=N2)C1)CC(F)(F)F	REAL300020224023	1	42	0.0	-49.26	328.39	4.42	-44.84
BrC1=CC=CC=C1CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224024	0	38	0.0	-45.21	318.72	7.62	-37.59
BrC1=CC=CC=C1CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224024	1	38	0.0	-45.03	317.65	7.61	-37.42
FC1=CC=CC(F)=C1C1=CSC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224026	1	38	0.0	-47.13	330.74	6.64	-40.49
FC1=CC=CC(F)=C1C1=CSC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224026	1	38	0.0	-48.89	329.29	6.58	-42.31
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OCC(F)F	REAL300020224027	0	45	0.0	-58.89	372.53	6.78	-52.11
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OCC(F)F	REAL300020224027	1	45	0.0	-58.64	372.79	6.71	-51.93
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(F)C(Cl)=C1	REAL300020224028	1	40	0.0	-52.32	333.76	6.36	-45.96
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(F)C(Cl)=C1	REAL300020224028	1	40	0.0	-53.37	333.63	6.39	-46.98
COC1=CC=C(C[N@@H+]2CCCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224029	0	58	0.0	-66.25	432.21	5.91	-60.34
COC1=CC=C(C[N@H+]2CCCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224029	1	58	0.0	-73.66	431.02	5.88	-67.78
NC1=C2C3=C(CCCC3)SC2=NC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224031	0	48	0.0	-50.00	379.31	6.39	-43.61
NC1=C2C3=C(CCCC3)SC2=NC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224031	1	48	0.0	-52.20	378.28	6.44	-45.76
CC1CCC2=C(C1)SC1=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NC(N)=C12	REAL300020224032	1	48	0.0	-43.35	379.16	6.28	-37.07
CC1CCC2=C(C1)SC1=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NC(N)=C12	REAL300020224032	1	48	0.0	-42.89	377.98	6.35	-36.54
CC1=C(C)C2=C(N)N=C(C(C)[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=C2S1	REAL300020224033	1	44	0.0	-41.91	352.36	4.86	-37.05
CC1=C(C)C2=C(N)N=C(C(C)[N@H+]3CCC(C4=NN=N[N-]4)C3)N=C2S1	REAL300020224033	1	44	0.0	-42.31	351.46	4.77	-37.54
N#CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224034	0	33	0.0	-52.56	293.61	6.50	-46.06
N#CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224034	1	33	0.0	-54.63	296.38	6.55	-48.08
O=C(CC1=CC=CC=C1)OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224035	0	41	0.0	-50.70	333.27	7.41	-43.29
O=C(CC1=CC=CC=C1)OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224035	1	41	0.0	-51.25	334.85	7.43	-43.82
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C(Cl)=C1	REAL300020224036	1	40	0.0	-51.40	343.07	6.77	-44.63
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C(Cl)=C1	REAL300020224036	1	40	0.0	-52.37	342.94	6.80	-45.57
CC1=CC(Br)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224037	0	35	0.0	-47.85	294.26	6.86	-40.99
CC1=CC(Br)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224037	1	35	0.0	-47.80	294.18	6.87	-40.93
CC1=CC=C(C[N@@H+]2CCCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224038	0	57	0.0	-63.55	424.08	7.28	-56.27
CC1=CC=C(C[N@H+]2CCCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224038	1	57	0.0	-70.18	422.91	7.25	-62.93
CC1=CC=C(C[N@@H+]2CCCN(C(=O)CN3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224038	1	57	0.0	-63.57	424.15	7.30	-56.27
CC1=CC=C(C[N@H+]2CCCN(C(=O)CN3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224038	1	57	0.0	-70.20	422.98	7.25	-62.95
COC1=CC=C2N=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)NC2=N1	REAL300020224039	1	38	0.0	-49.45	313.26	1.99	-47.46
COC1=CC=C2N=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)NC2=N1	REAL300020224039	1	38	0.0	-51.08	310.99	2.27	-48.81
COC1=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C2=CC=CC=C2C=C1	REAL300020224040	0	48	0.0	-50.88	380.08	8.77	-42.11
COC1=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C2=CC=CC=C2C=C1	REAL300020224040	1	48	0.0	-53.32	380.38	8.85	-44.47
CC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020224041	0	45	0.0	-58.58	358.50	1.62	-56.96
CC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020224041	1	45	0.0	-55.99	356.72	1.81	-54.18
BrC1=CC2=C(C=C1C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OCCCO2	REAL300020224042	0	41	0.0	-48.04	337.91	6.15	-41.89
BrC1=CC2=C(C=C1C[N@H+]1CCC(C3=NN=N[N-]3)C1)OCCCO2	REAL300020224042	1	41	0.0	-44.98	337.83	6.16	-38.82
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1CC1=CC=CC(C(F)(F)F)=C1	REAL300020224043	0	49	0.0	-44.21	389.17	8.06	-36.15
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1CC1=CC=CC(C(F)(F)F)=C1	REAL300020224043	1	49	0.0	-45.94	389.34	8.09	-37.85
COC1=CC=C(N2CCN(CC(O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224044	0	57	0.0	-50.99	423.22	1.55	-49.44
COC1=CC=C(N2CCN(CC(O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224044	1	57	0.0	-51.12	422.83	1.74	-49.38
N#CC1=CC=C(N2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020224045	0	44	0.0	-49.35	354.82	6.97	-42.38
N#CC1=CC=C(N2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020224045	1	44	0.0	-58.56	354.50	7.08	-51.48
IC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224046	1	32	0.0	-49.30	284.01	6.63	-42.67
IC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224046	1	32	0.0	-48.77	285.51	6.64	-42.13
CC1=CC=C([N+](=O)[O-])C=C1C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224047	0	40	0.0	-57.41	315.35	7.24	-50.17
CC1=CC=C([N+](=O)[O-])C=C1C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224047	1	40	0.0	-54.08	313.36	7.24	-46.84
FC(F)(F)OC1=CC=C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224048	0	39	0.0	-53.25	326.48	6.19	-47.06
FC(F)(F)OC1=CC=C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224048	1	39	0.0	-53.21	325.91	6.22	-46.99
FC(F)(F)OC1=CC=C(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224048	1	39	0.0	-53.24	326.41	6.18	-47.06
FC(F)(F)OC1=CC=C(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224048	1	39	0.0	-53.15	325.84	6.21	-46.94
CC1=CC=C(S(=O)(=O)CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224049	1	44	0.0	-59.54	362.09	4.86	-54.68
CC1=CC=C(S(=O)(=O)CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224049	1	44	0.0	-58.72	361.63	4.90	-53.82
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020224050	0	36	0.0	-48.12	314.64	4.61	-43.51
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020224050	1	36	0.0	-48.87	316.33	4.32	-44.55
CS(=O)(=O)C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020224052	1	44	0.0	-60.68	376.63	1.59	-59.09
CS(=O)(=O)C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020224052	1	44	0.0	-55.49	376.67	1.64	-53.85
O=[N+]([O-])C1=CC=C(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224053	0	38	0.0	-60.22	313.68	4.19	-56.03
O=[N+]([O-])C1=CC=C(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224053	1	38	0.0	-61.33	312.02	4.39	-56.94
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224054	0	38	0.0	-54.38	316.52	6.32	-48.06
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224054	1	38	0.0	-56.16	319.53	6.32	-49.84
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(=O)NC1CC1	REAL300020224055	0	50	0.0	-55.50	396.70	5.16	-50.34
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(=O)NC1CC1	REAL300020224055	1	50	0.0	-54.29	397.92	5.21	-49.08
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(=O)NC1CC1	REAL300020224055	1	50	0.0	-55.41	396.63	5.14	-50.27
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(=O)NC1CC1	REAL300020224055	1	50	0.0	-54.28	397.85	5.20	-49.08
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1CC1=CC=CC=C1	REAL300020224056	0	46	0.0	-42.89	350.35	7.06	-35.83
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1CC1=CC=CC=C1	REAL300020224056	1	46	0.0	-43.14	351.48	7.06	-36.08
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020224058	0	41	0.0	-50.15	335.81	7.32	-42.83
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020224058	1	41	0.0	-50.08	335.82	7.35	-42.73
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020224058	1	41	0.0	-50.14	335.74	7.31	-42.83
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020224058	1	41	0.0	-50.08	335.76	7.34	-42.74
C1=CC=C(OC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020224059	0	41	0.0	-56.68	340.53	4.53	-52.15
C1=CC=C(OC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020224059	1	41	0.0	-53.21	340.71	4.72	-48.49
CC(C(=O)C1=CN=C2NC=CC=C12)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224060	1	40	0.0	-66.11	316.51	5.11	-61.00
CC(C(=O)C1=CN=C2NC=CC=C12)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224060	1	40	0.0	-66.26	314.55	5.08	-61.18
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC=C1F	REAL300020224061	1	43	0.0	-46.62	340.09	6.76	-39.86
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC=C1F	REAL300020224061	1	43	0.0	-57.20	338.47	6.76	-50.44
N#CC(C1=CC=C(F)C=C1)N1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224062	0	52	0.0	-54.25	412.24	6.14	-48.11
N#CC(C1=CC=C(F)C=C1)N1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224062	1	52	0.0	-52.40	413.43	6.10	-46.30
N#CC(C1=CC=CS1)N1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224063	0	49	0.0	-52.29	396.71	4.97	-47.32
N#CC(C1=CC=CS1)N1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224063	1	49	0.0	-50.72	398.55	4.95	-45.77
C1=CC=C(CSCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224064	0	42	0.0	-48.42	346.60	8.53	-39.89
C1=CC=C(CSCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224064	1	42	0.0	-49.28	346.13	8.56	-40.72
C1=CC=C(CSCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224064	1	42	0.0	-48.40	346.53	8.51	-39.89
C1=CC=C(CSCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224064	1	42	0.0	-49.21	346.06	8.56	-40.65
COC(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020224065	1	39	0.0	-51.35	318.59	5.75	-45.60
COC(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020224065	1	39	0.0	-54.78	325.55	6.22	-48.56
FC(F)(F)C1=NN=C(CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224067	0	36	0.0	-54.95	313.30	0.52	-54.43
FC(F)(F)C1=NN=C(CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224067	1	36	0.0	-55.66	313.06	0.52	-55.14
CC(C)C(C#N)N1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224069	0	51	0.0	-49.86	385.05	4.24	-45.62
CC(C)C(C#N)N1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224069	1	51	0.0	-53.50	384.41	4.37	-49.13
NS(=O)(=O)C1=CC=C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224070	0	40	0.0	-58.29	334.22	1.35	-56.94
NS(=O)(=O)C1=CC=C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224070	1	40	0.0	-58.69	334.17	1.32	-57.37
NS(=O)(=O)C1=CC=C(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224070	1	40	0.0	-58.28	334.16	1.33	-56.95
NS(=O)(=O)C1=CC=C(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224070	1	40	0.0	-58.71	334.10	1.32	-57.39
O=[N+]([O-])C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020224071	0	40	0.0	-57.16	344.16	4.72	-52.44
O=[N+]([O-])C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020224071	1	40	0.0	-52.29	344.20	4.77	-47.52
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C(F)=C1	REAL300020224072	1	40	0.0	-52.44	333.75	6.37	-46.07
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C(F)=C1	REAL300020224072	1	40	0.0	-53.58	333.62	6.40	-47.18
CC1=CC=CC(S(=O)(=O)CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224074	1	44	0.0	-58.71	362.17	4.81	-53.90
CC1=CC=CC(S(=O)(=O)CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224074	1	44	0.0	-58.11	362.63	4.84	-53.27
CC1=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=NN1C	REAL300020224075	0	41	0.0	-52.93	335.33	5.22	-47.71
CC1=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=NN1C	REAL300020224075	1	41	0.0	-54.92	335.63	5.32	-49.60
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1F	REAL300020224077	1	38	0.0	-48.60	314.50	5.75	-42.85
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1F	REAL300020224077	1	38	0.0	-57.87	314.92	5.64	-52.23
ClC1=CC=C(N2C=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224079	1	39	0.0	-49.06	334.27	7.23	-41.83
ClC1=CC=C(N2C=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224079	1	39	0.0	-45.61	334.84	7.25	-38.36
COC1=CC=CC=C1S(=O)(=O)CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224080	1	45	0.0	-58.31	367.47	3.98	-54.33
COC1=CC=CC=C1S(=O)(=O)CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224080	1	45	0.0	-57.69	367.86	4.00	-53.69
O=S(=O)(CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224081	1	41	0.0	-58.81	340.72	4.14	-54.67
O=S(=O)(CCC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224081	1	41	0.0	-58.79	340.74	4.14	-54.65
CC(C)(C)CN1CCCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224082	0	48	0.0	-41.52	341.28	5.89	-35.63
CC(C)(C)CN1CCCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224082	1	48	0.0	-51.86	342.06	5.93	-45.93
CC1=CC=C(Cl)C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224083	0	43	0.0	-52.94	357.25	4.18	-48.76
CC1=CC=C(Cl)C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224083	1	43	0.0	-53.13	357.30	4.22	-48.91
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020224084	0	50	0.0	-62.22	391.76	5.71	-56.51
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020224084	1	50	0.0	-68.05	392.05	5.85	-62.20
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020224084	1	50	0.0	-62.19	391.69	5.70	-56.49
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020224084	1	50	0.0	-67.97	391.98	5.85	-62.12
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(F)=C1	REAL300020224085	0	36	0.0	-55.24	307.13	4.22	-51.02
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(F)=C1	REAL300020224085	1	36	0.0	-53.40	309.47	3.85	-49.55
FC(F)(F)SC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224086	0	36	0.0	-48.43	314.85	7.00	-41.43
FC(F)(F)SC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224086	1	36	0.0	-49.31	311.81	7.02	-42.29
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC([N+](=O)[O-])=CC=C1F	REAL300020224087	0	41	0.0	-57.63	347.64	5.38	-52.25
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC([N+](=O)[O-])=CC=C1F	REAL300020224087	1	41	0.0	-63.18	348.36	5.50	-57.68
CCC(C)COC1=CC([N+](=O)[O-])=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020224088	0	54	0.0	-54.89	419.35	8.60	-46.29
CCC(C)COC1=CC([N+](=O)[O-])=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020224088	1	54	0.0	-54.71	419.54	8.52	-46.19
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCC(=O)C1=CC=CC=C1	REAL300020224089	0	44	0.0	-51.64	359.18	4.60	-47.04
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NCC(=O)C1=CC=CC=C1	REAL300020224089	1	44	0.0	-55.51	359.93	4.74	-50.77
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NCC(=O)C1=CC=CC=C1	REAL300020224089	1	44	0.0	-51.63	359.11	4.60	-47.03
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NCC(=O)C1=CC=CC=C1	REAL300020224089	1	44	0.0	-55.52	359.86	4.73	-50.79
COC(=O)C1=CC=C(Cl)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224091	0	38	0.0	-46.34	326.35	6.78	-39.56
COC(=O)C1=CC=C(Cl)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224091	1	38	0.0	-46.41	326.60	6.75	-39.66
CC1=NC(C(F)(F)F)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224092	1	34	0.0	-43.43	299.79	4.56	-38.87
CC1=NC(C(F)(F)F)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224092	1	34	0.0	-47.71	298.87	4.58	-43.13
CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224093	0	51	0.0	-58.88	362.47	6.19	-52.69
CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224093	1	51	0.0	-55.60	363.30	6.25	-49.35
CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224093	1	51	0.0	-58.84	362.40	6.17	-52.67
CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224093	1	51	0.0	-55.56	363.23	6.24	-49.32
BrC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020224095	0	37	0.0	-45.42	311.02	7.09	-38.33
BrC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020224095	1	37	0.0	-47.97	317.63	6.64	-41.33
O=[N+]([O-])C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020224096	1	34	0.0	-56.57	297.44	6.70	-49.87
O=[N+]([O-])C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020224096	1	34	0.0	-57.93	300.24	6.74	-51.19
ClC1=CC=C(N2C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1Cl	REAL300020224098	1	38	0.0	-60.03	344.20	6.36	-53.67
ClC1=CC=C(N2C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1Cl	REAL300020224098	1	38	0.0	-50.83	343.77	6.46	-44.37
COC(=O)C1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224101	0	42	0.0	-49.87	334.49	6.62	-43.25
COC(=O)C1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224101	1	42	0.0	-54.20	339.98	6.66	-47.54
BrC1=CN=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224102	1	31	0.0	-49.62	273.15	4.36	-45.26
BrC1=CN=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224102	1	31	0.0	-49.15	271.61	4.32	-44.83
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(Br)=C1	REAL300020224104	1	40	0.0	-47.24	333.93	6.59	-40.65
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(Br)=C1	REAL300020224104	1	40	0.0	-47.90	332.34	6.44	-41.46
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1	REAL300020224105	0	39	0.0	-54.04	330.22	5.12	-48.92
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1	REAL300020224105	1	39	0.0	-59.24	330.97	5.25	-53.99
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1	REAL300020224105	1	39	0.0	-54.01	330.15	5.11	-48.90
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1	REAL300020224105	1	39	0.0	-59.18	330.90	5.24	-53.94
CC1=CC(N2C=CN=C2)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224106	0	42	0.0	-53.66	329.16	8.59	-45.07
CC1=CC(N2C=CN=C2)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224106	1	42	0.0	-53.30	330.20	8.64	-44.66
CC1=CC(N2C=CN=C2)=CC=C1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224106	1	42	0.0	-53.64	329.09	8.58	-45.06
CC1=CC(N2C=CN=C2)=CC=C1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224106	1	42	0.0	-53.27	330.13	8.63	-44.64
CN(C)C1=NC=NC(Cl)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224107	1	38	0.0	-40.31	314.47	4.37	-35.94
CN(C)C1=NC=NC(Cl)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224107	1	38	0.0	-40.43	309.81	5.68	-34.75
N#CC1=CC=C(Br)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224108	0	33	0.0	-50.42	296.06	6.61	-43.81
N#CC1=CC=C(Br)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224108	1	33	0.0	-48.07	295.92	6.62	-41.45
BrC1=CC=CC2=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020224110	0	38	0.0	-49.83	317.50	8.29	-41.54
BrC1=CC=CC2=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020224110	1	38	0.0	-49.97	317.45	8.27	-41.70
CC(C1=NN=NN1C1CCCCC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224111	1	46	0.0	-57.95	349.67	5.08	-52.87
CC(C1=NN=NN1C1CCCCC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224111	1	46	0.0	-50.16	349.11	5.23	-44.93
CCOC(=O)C1CCC(O)(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224112	0	48	0.0	-49.19	356.38	4.97	-44.22
CCOC(=O)C1CCC(O)(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224112	1	48	0.0	-47.64	355.39	4.42	-43.22
CCOC(=O)C1CCC(O)(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224112	1	48	0.0	-49.17	356.31	4.96	-44.21
CCOC(=O)C1CCC(O)(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224112	1	48	0.0	-47.59	355.32	4.40	-43.19
CS(=O)(=O)N(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020224113	0	46	0.0	-60.78	371.80	4.63	-56.15
CS(=O)(=O)N(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020224113	1	46	0.0	-60.34	366.40	4.35	-55.99
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224115	0	52	0.0	-54.58	382.59	6.71	-47.87
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224115	1	52	0.0	-54.03	381.81	6.59	-47.44
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224115	1	52	0.0	-54.54	382.52	6.71	-47.83
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224115	1	52	0.0	-53.99	381.74	6.59	-47.40
CC(C)(C)OC(=O)N1CCCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224116	0	52	0.0	-48.78	381.83	6.57	-42.21
CC(C)(C)OC(=O)N1CCCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224116	1	52	0.0	-52.18	382.56	6.67	-45.51
CC(C)(C)OC(=O)N1CCCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224116	1	52	0.0	-48.68	381.76	6.57	-42.11
CC(C)(C)OC(=O)N1CCCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224116	1	52	0.0	-52.16	382.49	6.66	-45.50
FC(F)(F)C1=NC(Cl)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224117	1	34	0.0	-56.56	299.80	5.31	-51.25
FC(F)(F)C1=NC(Cl)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224117	1	34	0.0	-57.33	298.34	5.17	-52.16
O=S1(=O)CCN(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224118	0	40	0.0	-60.45	314.48	-0.32	-60.77
O=S1(=O)CCN(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224118	1	40	0.0	-59.49	314.15	-0.32	-59.81
CC(C)(C)OC(=O)N1CCN(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224119	0	54	0.0	-51.80	398.57	4.25	-47.55
CC(C)(C)OC(=O)N1CCN(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224119	1	54	0.0	-53.73	399.29	4.33	-49.40
CC(C)(C)OC(=O)N1CCN(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224119	1	54	0.0	-51.81	398.50	4.24	-47.57
CC(C)(C)OC(=O)N1CCN(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224119	1	54	0.0	-53.65	399.22	4.32	-49.33
CC(C1=CC=C(S(C)(=O)=O)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224122	0	41	0.0	-53.63	333.44	3.74	-49.89
CC(C1=CC=C(S(C)(=O)=O)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224122	1	41	0.0	-54.71	335.05	3.83	-50.88
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C2C1	REAL300020224123	0	46	0.0	-52.62	356.16	7.05	-45.57
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C2C1	REAL300020224123	1	46	0.0	-59.19	355.41	7.10	-52.09
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C2C1	REAL300020224123	1	46	0.0	-52.56	356.10	7.04	-45.52
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C2C1	REAL300020224123	1	46	0.0	-59.11	355.34	7.08	-52.03
FC(F)(F)C(F)(F)COCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224124	0	35	0.0	-46.96	301.00	4.56	-42.40
FC(F)(F)C(F)(F)COCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224124	1	35	0.0	-49.18	303.69	4.42	-44.76
CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224125	0	55	0.0	-54.47	404.10	7.31	-47.16
CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224125	1	55	0.0	-54.45	404.16	7.31	-47.14
CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224125	1	55	0.0	-54.41	404.03	7.29	-47.12
CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224125	1	55	0.0	-54.39	404.08	7.31	-47.08
C1=CC=C(C2CCC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224126	0	48	0.0	-47.16	349.33	9.14	-38.02
C1=CC=C(C2CCC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224126	1	48	0.0	-48.13	349.40	9.19	-38.94
C1=CC=C(C2CCC(C[N@@H+]3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224126	1	48	0.0	-47.13	349.27	9.14	-37.99
C1=CC=C(C2CCC(C[N@H+]3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224126	1	48	0.0	-48.13	349.33	9.17	-38.96
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1CC1=CC=C(F)C=C1F	REAL300020224129	0	46	0.0	-43.07	359.26	7.05	-36.02
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1CC1=CC=C(F)C=C1F	REAL300020224129	1	46	0.0	-50.81	361.51	7.02	-43.79
ClC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020224130	1	32	0.0	-52.64	294.03	6.61	-46.03
ClC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020224130	1	32	0.0	-52.67	294.17	6.63	-46.04
N#CC(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020224131	0	49	0.0	-51.94	387.14	9.96	-41.98
N#CC(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020224131	1	49	0.0	-59.24	386.73	10.03	-49.21
N#CC(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020224131	1	49	0.0	-51.92	387.07	9.95	-41.97
N#CC(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020224131	1	49	0.0	-59.21	386.66	10.03	-49.18
CN1C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NN=C1C1=CC=C(Cl)C=C1	REAL300020224134	1	41	0.0	-53.61	344.74	7.58	-46.03
CN1C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NN=C1C1=CC=C(Cl)C=C1	REAL300020224134	1	41	0.0	-51.22	337.97	7.36	-43.86
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(Br)=C1	REAL300020224135	0	36	0.0	-55.14	311.54	4.30	-50.84
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(Br)=C1	REAL300020224135	1	36	0.0	-53.27	313.88	3.94	-49.33
FC(F)(F)C1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224136	0	41	0.0	-50.33	317.21	6.92	-43.41
FC(F)(F)C1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224136	1	41	0.0	-52.67	316.77	6.92	-45.75
FC(F)(F)C1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224136	1	41	0.0	-50.31	317.13	6.91	-43.40
FC(F)(F)C1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224136	1	41	0.0	-52.65	316.69	6.90	-45.75
CN(C)S(=O)(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224137	0	43	0.0	-55.34	352.84	3.62	-51.72
CN(C)S(=O)(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224137	1	43	0.0	-56.58	353.34	3.54	-53.04
FC1=CC(Br)=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224138	0	36	0.0	-50.82	312.56	6.25	-44.57
FC1=CC(Br)=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224138	1	36	0.0	-51.76	315.04	5.98	-45.78
OC(COC1=CC(F)=CC(Br)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224139	0	40	0.0	-52.91	345.57	3.86	-49.05
OC(COC1=CC(F)=CC(Br)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224139	1	40	0.0	-53.39	343.71	3.99	-49.40
COCCOCCOC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224140	0	50	0.0	-50.78	397.72	5.44	-45.34
COCCOCCOC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224140	1	50	0.0	-51.52	396.63	5.36	-46.16
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1Cl	REAL300020224141	0	36	0.0	-48.94	304.31	4.17	-44.77
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1Cl	REAL300020224141	1	36	0.0	-49.76	305.99	3.88	-45.88
FC1=CC=CC=C1N1C=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224142	1	39	0.0	-44.90	321.89	6.69	-38.21
FC1=CC=CC=C1N1C=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224142	1	39	0.0	-49.22	321.16	7.05	-42.17
O=[N+]([O-])C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224143	1	34	0.0	-55.81	301.07	6.79	-49.02
O=[N+]([O-])C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224143	1	34	0.0	-57.44	303.84	6.83	-50.61
CCOCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=C(C)C=CC=C1CC	REAL300020224144	1	55	0.0	-50.88	412.49	7.84	-43.04
CCOCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=C(C)C=CC=C1CC	REAL300020224144	1	55	0.0	-52.60	412.44	7.84	-44.76
CN1C2=CC(Br)=CC=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224145	1	38	0.0	-49.92	327.43	6.49	-43.43
CN1C2=CC(Br)=CC=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224145	1	38	0.0	-48.38	328.11	6.48	-41.90
CC(C)(C)OC(=O)C1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224146	0	51	0.0	-48.63	389.37	8.61	-40.02
CC(C)(C)OC(=O)C1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224146	1	51	0.0	-52.73	394.86	8.66	-44.07
O=[N+]([O-])C1=CC=CC(Cl)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224147	1	34	0.0	-40.91	289.23	6.53	-34.38
O=[N+]([O-])C1=CC=CC(Cl)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224147	1	34	0.0	-40.83	287.40	6.58	-34.25
CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224148	0	46	0.0	-57.87	353.64	5.01	-52.86
CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224148	1	46	0.0	-57.01	352.55	4.84	-52.17
CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224148	1	46	0.0	-57.86	353.57	4.99	-52.87
CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224148	1	46	0.0	-57.02	352.49	4.82	-52.20
O=C(OCC1=CC=CC=C1)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224149	0	53	0.0	-54.89	408.71	8.56	-46.33
O=C(OCC1=CC=CC=C1)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224149	1	53	0.0	-55.47	408.71	8.55	-46.92
O=C(OCC1=CC=CC=C1)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224149	1	53	0.0	-54.85	408.64	8.55	-46.30
O=C(OCC1=CC=CC=C1)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224149	1	53	0.0	-55.46	408.64	8.55	-46.91
FC1=CC=CC=C1COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224150	0	45	0.0	-51.80	369.60	6.43	-45.37
FC1=CC=CC=C1COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224150	1	45	0.0	-52.04	367.96	6.35	-45.69
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC=C1C(F)(F)F	REAL300020224151	1	43	0.0	-47.17	350.82	7.21	-39.96
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC=C1C(F)(F)F	REAL300020224151	1	43	0.0	-59.70	351.08	7.22	-52.48
C[NH+](C)C(CNC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224152	0	50	0.0	-69.54	381.86	3.40	-66.14
C[NH+](C)C(CNC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224152	1	50	0.0	-69.56	381.92	3.42	-66.14
O=C1OC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CN1C1=CC=CC=C1	REAL300020224153	0	41	0.0	-56.91	326.21	5.75	-51.16
O=C1OC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CN1C1=CC=CC=C1	REAL300020224153	1	41	0.0	-59.50	326.86	5.83	-53.67
CC(C)OC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224154	0	42	0.0	-51.76	343.19	6.93	-44.83
CC(C)OC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224154	1	42	0.0	-51.77	343.41	6.96	-44.81
ClC1=CC=CC=C1C1=CSC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224155	0	38	0.0	-43.48	334.85	7.30	-36.18
ClC1=CC=CC=C1C1=CSC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224155	1	38	0.0	-48.59	333.64	7.25	-41.34
O=[N+]([O-])C1=CC=C2NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224156	1	37	0.0	-63.08	314.09	4.92	-58.16
O=[N+]([O-])C1=CC=C2NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224156	1	37	0.0	-56.75	313.49	4.97	-51.78
FC1=C(F)C=C2NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224157	1	35	0.0	-53.11	299.08	4.42	-48.69
FC1=C(F)C=C2NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224157	1	35	0.0	-52.83	298.20	4.42	-48.41
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224158	0	49	0.0	-56.62	369.53	5.77	-50.85
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224158	1	49	0.0	-52.94	369.02	5.75	-47.19
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224158	1	49	0.0	-56.62	369.46	5.77	-50.85
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224158	1	49	0.0	-52.97	368.95	5.74	-47.23
CC(C)(C)OC(=O)N1CCCC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224159	0	55	0.0	-52.63	404.32	7.22	-45.41
CC(C)(C)OC(=O)N1CCCC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224159	1	55	0.0	-51.74	403.82	7.26	-44.48
CC(C)(C)OC(=O)N1CCCC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224159	1	55	0.0	-52.55	404.25	7.21	-45.34
CC(C)(C)OC(=O)N1CCCC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224159	1	55	0.0	-51.75	403.75	7.25	-44.50
COC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020224161	0	39	0.0	-47.09	324.52	5.93	-41.16
COC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020224161	1	39	0.0	-48.58	321.92	6.18	-42.40
ClC1=CC=C(OCC2CC2)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224162	0	43	0.0	-44.94	357.71	8.11	-36.83
ClC1=CC=C(OCC2CC2)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224162	1	43	0.0	-43.92	357.67	7.99	-35.93
O=C1C2=CC=CC=C2C(=O)N1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224163	0	39	0.0	-49.35	324.75	5.22	-44.13
O=C1C2=CC=CC=C2C(=O)N1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224163	1	39	0.0	-47.83	324.81	5.17	-42.66
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020224164	0	41	0.0	-54.35	336.13	5.55	-48.80
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020224164	1	41	0.0	-57.65	336.88	5.68	-51.97
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020224164	1	41	0.0	-54.30	336.06	5.55	-48.75
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020224164	1	41	0.0	-57.63	336.81	5.68	-51.95
CC(C)(COCC1=CC=CC=C1)NC(=O)NCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224166	0	57	0.0	-54.47	443.49	4.86	-49.61
CC(C)(COCC1=CC=CC=C1)NC(=O)NCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224166	1	57	0.0	-55.19	443.64	4.96	-50.23
CC(C)(C)OC(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224167	0	47	0.0	-48.03	367.77	8.26	-39.77
CC(C)(C)OC(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224167	1	47	0.0	-48.69	365.13	8.26	-40.43
ClC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1I	REAL300020224168	1	32	0.0	-52.40	300.09	7.07	-45.33
ClC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1I	REAL300020224168	1	32	0.0	-52.41	300.21	7.09	-45.32
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CN=CC=N2)CC1	REAL300020224169	0	46	0.0	-51.63	356.12	2.80	-48.83
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CN=CC=N2)CC1	REAL300020224169	1	46	0.0	-51.87	356.20	2.80	-49.07
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224170	0	48	0.0	-49.71	393.56	8.52	-41.19
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224170	1	48	0.0	-48.10	392.77	8.49	-39.61
C1=CC=C(CN2CCCOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224171	0	51	0.0	-48.26	378.23	5.66	-42.60
C1=CC=C(CN2CCCOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224171	1	51	0.0	-45.92	381.10	6.44	-39.48
C1=CC=C(C[N@@H+]2CCCOC(CN3CCC(C4=N[N-]N=N4)C3)C2)C=C1	REAL300020224171	1	51	0.0	-64.60	377.75	5.48	-59.12
C1=CC=C(C[N@H+]2CCCOC(CN3CCC(C4=N[N-]N=N4)C3)C2)C=C1	REAL300020224171	1	51	0.0	-59.65	374.68	5.79	-53.86
C1=CC=C(C[N@@H+]2CCCOC(CN3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224171	1	51	0.0	-64.61	377.81	5.49	-59.12
C1=CC=C(C[N@H+]2CCCOC(CN3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224171	1	51	0.0	-59.66	374.75	5.80	-53.86
CN(CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020224172	0	48	0.0	-49.05	366.99	5.75	-43.30
CN(CCC[N@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020224172	1	48	0.0	-49.87	365.66	5.77	-44.10
CN(CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020224172	1	48	0.0	-49.03	366.92	5.73	-43.30
CN(CCC[N@H+]1CCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020224172	1	48	0.0	-49.81	365.59	5.76	-44.05
ClC1=CC=CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224174	0	35	0.0	-50.05	309.60	7.33	-42.72
ClC1=CC=CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224174	1	35	0.0	-49.94	307.80	7.22	-42.72
COC(=O)C1=CC=C(F)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224175	0	38	0.0	-47.57	318.93	6.35	-41.22
COC(=O)C1=CC=C(F)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224175	1	38	0.0	-46.90	311.51	6.02	-40.88
CC1=NN(CCS(C)(=O)=O)C(C)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224177	0	47	0.0	-55.82	380.38	2.48	-53.34
CC1=NN(CCS(C)(=O)=O)C(C)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224177	1	47	0.0	-57.40	380.15	2.49	-54.91
C1=CC=C(COC2=CN=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224178	0	45	0.0	-49.63	364.78	7.02	-42.61
C1=CC=C(COC2=CN=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224178	1	45	0.0	-50.93	362.45	6.97	-43.96
C1=C(C2CCCCC2)N=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224179	1	44	0.0	-42.37	347.18	6.55	-35.82
C1=C(C2CCCCC2)N=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224179	1	44	0.0	-42.72	344.14	6.48	-36.24
C1=CC(C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=CS1	REAL300020224181	0	39	0.0	-48.16	321.67	7.93	-40.23
C1=CC(C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=CS1	REAL300020224181	1	39	0.0	-48.26	321.73	7.94	-40.32
O=[N+]([O-])C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020224183	1	34	0.0	-57.55	302.87	6.68	-50.87
O=[N+]([O-])C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020224183	1	34	0.0	-60.34	300.56	6.67	-53.67
NS(=O)(=O)C1=CC(Cl)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224186	1	37	0.0	-57.47	328.84	1.00	-56.47
NS(=O)(=O)C1=CC(Cl)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224186	1	37	0.0	-56.02	326.39	1.00	-55.02
ClC1=CC(Cl)=CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224187	0	35	0.0	-52.80	313.72	7.40	-45.40
ClC1=CC(Cl)=CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224187	1	35	0.0	-53.50	314.16	7.50	-46.00
ClC1=CC(Cl)=CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224189	0	35	0.0	-52.80	313.72	7.40	-45.40
ClC1=CC(Cl)=CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224189	1	35	0.0	-53.50	314.16	7.50	-46.00
COC1=CC([N+](=O)[O-])=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224190	0	38	0.0	-52.11	308.36	5.78	-46.33
COC1=CC([N+](=O)[O-])=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224190	1	38	0.0	-56.05	315.61	5.65	-50.40
C1=C(C2=CC=CC=C2)N=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224191	0	38	0.0	-44.83	322.70	6.43	-38.40
C1=C(C2=CC=CC=C2)N=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224191	1	38	0.0	-45.01	319.67	6.36	-38.65
CC1=CC(C)=C(N2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C(C)=C1	REAL300020224192	1	49	0.0	-56.29	379.17	8.84	-47.45
CC1=CC(C)=C(N2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C(C)=C1	REAL300020224192	1	49	0.0	-57.88	378.91	8.93	-48.95
ClC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(N2C=NC=N2)=C1	REAL300020224196	0	38	0.0	-43.39	320.64	9.46	-33.93
ClC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(N2C=NC=N2)=C1	REAL300020224196	1	38	0.0	-43.02	318.07	9.27	-33.75
CC(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020224197	0	45	0.0	-47.62	355.73	7.29	-40.33
CC(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020224197	1	45	0.0	-47.76	355.06	7.22	-40.54
CC(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020224197	1	45	0.0	-47.58	355.66	7.29	-40.29
CC(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020224197	1	45	0.0	-47.74	355.00	7.20	-40.54
FC1=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020224200	0	36	0.0	-51.94	307.45	6.13	-45.81
FC1=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020224200	1	36	0.0	-49.97	310.36	5.87	-44.10
OC(CC1=CC2=CC=CC=C2C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224201	0	45	0.0	-52.22	354.53	6.45	-45.77
OC(CC1=CC2=CC=CC=C2C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224201	1	45	0.0	-50.25	357.16	6.21	-44.04
C1=CSC(C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020224202	0	39	0.0	-48.70	323.47	8.13	-40.57
C1=CSC(C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020224202	1	39	0.0	-47.79	324.38	8.20	-39.59
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224203	0	38	0.0	-54.38	316.52	6.32	-48.06
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224203	1	38	0.0	-56.16	319.53	6.32	-49.84
CCS(=O)(=O)CCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224204	0	43	0.0	-57.07	348.15	3.34	-53.73
CCS(=O)(=O)CCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224204	1	43	0.0	-57.60	348.87	3.47	-54.13
CCS(=O)(=O)CCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224204	1	43	0.0	-57.06	348.08	3.33	-53.73
CCS(=O)(=O)CCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224204	1	43	0.0	-57.54	348.80	3.46	-54.08
CC(C)(C)[Si](C)(C)OCC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224205	0	57	0.0	-47.23	439.25	11.08	-36.15
CC(C)(C)[Si](C)(C)OCC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224205	1	57	0.0	-47.14	439.72	11.00	-36.14
CN(C)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224206	0	47	0.0	-53.16	364.24	4.99	-48.17
CN(C)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224206	1	47	0.0	-58.40	367.05	5.14	-53.26
CN(C)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224206	1	47	0.0	-53.14	364.18	4.98	-48.16
CN(C)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224206	1	47	0.0	-58.32	366.98	5.14	-53.18
FC1=CC=C(N2C=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C(F)=C1	REAL300020224208	1	39	0.0	-46.98	329.31	6.93	-40.05
FC1=CC=C(N2C=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C(F)=C1	REAL300020224208	1	39	0.0	-50.01	329.34	7.06	-42.95
CCOC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020224210	0	41	0.0	-63.57	335.29	7.19	-56.38
CCOC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020224210	1	41	0.0	-61.85	332.81	7.20	-54.65
COC1=CC=CC(OC)=C1OCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224211	0	50	0.0	-50.42	393.88	6.59	-43.83
COC1=CC=CC(OC)=C1OCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224211	1	50	0.0	-52.05	394.31	6.62	-45.43
COC1=CC=CC(OC)=C1OCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224211	1	50	0.0	-50.37	393.81	6.59	-43.78
COC1=CC=CC(OC)=C1OCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224211	1	50	0.0	-52.00	394.25	6.60	-45.40
CS(=O)(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224213	0	38	0.0	-56.19	317.96	3.14	-53.05
CS(=O)(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224213	1	38	0.0	-57.57	318.44	3.06	-54.51
C1=CC=C(CSC2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224214	0	46	0.0	-47.32	380.00	10.45	-36.87
C1=CC=C(CSC2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224214	1	46	0.0	-46.48	377.06	10.45	-36.03
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCOC2=CC=CC=C21	REAL300020224215	0	44	0.0	-56.43	341.98	5.47	-50.96
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCOC2=CC=CC=C21	REAL300020224215	1	44	0.0	-62.20	342.23	5.52	-56.68
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCOC2=CC=CC=C21	REAL300020224215	1	44	0.0	-56.39	341.91	5.46	-50.93
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCOC2=CC=CC=C21	REAL300020224215	1	44	0.0	-62.16	342.16	5.51	-56.65
CC1=CC(C)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OCC2=CC=CC=C2)=N1	REAL300020224216	0	51	0.0	-44.59	400.81	7.71	-36.88
CC1=CC(C)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OCC2=CC=CC=C2)=N1	REAL300020224216	1	51	0.0	-45.43	399.98	7.70	-37.73
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC2=CC=CC=C21	REAL300020224219	0	46	0.0	-54.22	350.05	7.19	-47.03
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC2=CC=CC=C21	REAL300020224219	1	46	0.0	-54.12	350.53	7.32	-46.80
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCCC2=CC=CC=C21	REAL300020224219	1	46	0.0	-54.24	349.98	7.19	-47.05
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCCC2=CC=CC=C21	REAL300020224219	1	46	0.0	-54.11	350.47	7.31	-46.80
C1=CC=C(N2CCN(CCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224220	0	52	0.0	-49.66	385.25	5.06	-44.60
C1=CC=C(N2CCN(CCC[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224220	1	52	0.0	-49.92	385.38	5.24	-44.68
CC1=CC=C(C2=CSC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224221	0	41	0.0	-46.87	344.43	7.08	-39.79
CC1=CC=C(C2=CSC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224221	1	41	0.0	-45.36	343.30	7.11	-38.25
FC1(F)OC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020224222	0	35	0.0	-55.78	295.80	4.62	-51.16
FC1(F)OC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020224222	1	35	0.0	-53.96	295.03	4.65	-49.31
CC1=C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(=O)N2C=CSC2=N1	REAL300020224223	0	40	0.0	-50.80	332.83	6.01	-44.79
CC1=C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(=O)N2C=CSC2=N1	REAL300020224223	1	40	0.0	-53.24	332.85	5.98	-47.26
CC1=C(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C(=O)N2C=CSC2=N1	REAL300020224223	1	40	0.0	-50.76	332.76	5.99	-44.77
CC1=C(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C(=O)N2C=CSC2=N1	REAL300020224223	1	40	0.0	-53.22	332.78	5.97	-47.25
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1C2=CC=CC=C2CCC2=CC=CC=C21	REAL300020224224	1	50	0.0	-45.05	387.75	10.29	-34.76
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1C2=CC=CC=C2CCC2=CC=CC=C21	REAL300020224224	1	50	0.0	-42.87	386.48	10.19	-32.68
O=C(C1=CC=CC=C1)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224225	0	46	0.0	-57.21	346.84	6.25	-50.96
O=C(C1=CC=CC=C1)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224225	1	46	0.0	-57.33	346.90	6.25	-51.08
O=C(C1=CC=CC=C1)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224225	1	46	0.0	-57.20	346.77	6.25	-50.95
O=C(C1=CC=CC=C1)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224225	1	46	0.0	-57.33	346.83	6.25	-51.08
COC1=CC=C(Br)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224228	0	36	0.0	-44.06	304.60	5.50	-38.56
COC1=CC=C(Br)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224228	1	36	0.0	-41.09	304.54	5.52	-35.57
O=[N+]([O-])C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020224229	1	36	0.0	-56.13	306.74	7.02	-49.11
O=[N+]([O-])C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020224229	1	36	0.0	-56.58	307.56	6.99	-49.59
CC(C)(C)OC(=O)NCCOCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224230	0	49	0.0	-49.00	377.54	2.82	-46.18
CC(C)(C)OC(=O)NCCOCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224230	1	49	0.0	-50.63	380.23	2.67	-47.96
CN(CC(C)(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020224232	0	52	0.0	-47.69	381.17	3.91	-43.78
CN(CC(C)(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020224232	1	52	0.0	-52.63	382.08	3.53	-49.10
C1=CC=C(N2CCOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224233	0	45	0.0	-47.50	341.17	4.62	-42.88
C1=CC=C(N2CCOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224233	1	45	0.0	-46.31	345.15	4.81	-41.50
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(CCC2=CC=CC=C2)S1	REAL300020224234	1	44	0.0	-46.61	367.27	7.86	-38.75
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(CCC2=CC=CC=C2)S1	REAL300020224234	1	44	0.0	-46.05	368.77	8.04	-38.01
CC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224235	0	35	0.0	-46.05	295.67	6.83	-39.22
CC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224235	1	35	0.0	-45.07	295.59	6.88	-38.19
O=C1C2=CC=CC=C2C(=O)N1OCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224236	0	43	0.0	-54.97	361.05	6.45	-48.52
O=C1C2=CC=CC=C2C(=O)N1OCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224236	1	43	0.0	-53.57	360.38	6.36	-47.21
O=C1C2=CC=CC=C2C(=O)N1OCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224236	1	43	0.0	-54.95	360.97	6.43	-48.52
O=C1C2=CC=CC=C2C(=O)N1OCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224236	1	43	0.0	-53.49	360.32	6.35	-47.14
CC(C)(C)OC(=O)NCCCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224237	0	57	0.0	-49.89	432.56	6.23	-43.66
CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224237	1	57	0.0	-51.91	433.29	6.36	-45.55
CC(C)(C)OC(=O)NCCCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224237	1	57	0.0	-49.86	432.49	6.23	-43.63
CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224237	1	57	0.0	-51.86	433.21	6.36	-45.50
ClC1=CC=C(CCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224238	0	41	0.0	-49.53	354.92	8.90	-40.63
ClC1=CC=C(CCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224238	1	41	0.0	-51.51	354.80	8.94	-42.57
ClC1=CC=C(CCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020224238	1	41	0.0	-49.48	354.85	8.90	-40.58
ClC1=CC=C(CCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020224238	1	41	0.0	-51.50	354.73	8.94	-42.56
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224239	0	38	0.0	-51.84	327.57	6.78	-45.06
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224239	1	38	0.0	-54.42	330.34	6.82	-47.60
CC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CCCCC1	REAL300020224241	0	50	0.0	-44.84	375.83	8.25	-36.59
CC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CCCCC1	REAL300020224241	1	50	0.0	-45.43	374.36	8.29	-37.14
COC1CCN(C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020224242	0	51	0.0	-47.02	382.84	5.91	-41.11
COC1CCN(C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020224242	1	51	0.0	-47.54	383.31	5.81	-41.73
CC(C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)(F)F	REAL300020224243	0	41	0.0	-47.17	332.29	7.81	-39.36
CC(C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)(F)F	REAL300020224243	1	41	0.0	-48.55	331.17	7.73	-40.82
CS(=O)(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224244	0	38	0.0	-58.03	318.77	3.07	-54.96
CS(=O)(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224244	1	38	0.0	-53.85	316.08	3.06	-50.79
CN(C)S(=O)(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224246	0	43	0.0	-53.89	354.08	3.56	-50.33
CN(C)S(=O)(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224246	1	43	0.0	-52.64	351.01	3.54	-49.10
CCOC1=CC=CC(Cl)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224247	0	39	0.0	-38.16	319.04	6.38	-31.78
CCOC1=CC=CC(Cl)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224247	1	39	0.0	-38.36	317.60	6.54	-31.82
CC(C1=CC=C(OC2=CC=CC=C2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224248	0	46	0.0	-50.57	363.92	9.13	-41.44
CC(C1=CC=C(OC2=CC=CC=C2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224248	1	46	0.0	-49.30	362.64	9.12	-40.18
CN(CC1=CC=CC=C1)CC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224249	1	56	0.0	-47.89	418.74	9.07	-38.82
CN(CC1=CC=CC=C1)CC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224249	1	56	0.0	-47.81	427.83	9.63	-38.18
C1=CN(CCC2=CC=CC=C2)N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224250	1	45	0.0	-47.35	365.26	7.96	-39.39
C1=CN(CCC2=CC=CC=C2)N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224250	1	45	0.0	-43.71	365.07	7.97	-35.74
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224251	0	57	0.0	-71.92	425.35	5.23	-66.69
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224251	1	57	0.0	-71.93	425.42	5.24	-66.69
CC(C)(C)C(=O)N1CCCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224252	0	51	0.0	-51.76	364.09	6.13	-45.63
CC(C)(C)C(=O)N1CCCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224252	1	51	0.0	-51.71	362.92	6.17	-45.54
CC(C)(C)C(=O)N1CCCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224252	1	51	0.0	-51.71	364.02	6.13	-45.58
CC(C)(C)C(=O)N1CCCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224252	1	51	0.0	-51.75	362.85	6.17	-45.58
N#CCC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224253	0	44	0.0	-55.85	362.35	4.15	-51.70
N#CCC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224253	1	44	0.0	-57.74	362.11	4.17	-53.57
BrC1=NN(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224254	1	31	0.0	-61.17	277.95	4.79	-56.38
BrC1=NN(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224254	1	31	0.0	-61.12	276.95	4.83	-56.29
CC(C)OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224255	0	45	0.0	-46.06	348.35	7.21	-38.85
CC(C)OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224255	1	45	0.0	-46.73	346.16	7.58	-39.15
CC(C)OC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224255	1	45	0.0	-45.98	348.28	7.19	-38.79
CC(C)OC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224255	1	45	0.0	-46.69	346.08	7.57	-39.12
O=[N+]([O-])C1=CC=C(C(F)(F)F)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224256	1	37	0.0	-49.77	313.44	7.11	-42.66
O=[N+]([O-])C1=CC=C(C(F)(F)F)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224256	1	37	0.0	-47.46	312.48	7.23	-40.23
COCCC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224257	0	50	0.0	-51.68	394.00	3.78	-47.90
COCCC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224257	1	50	0.0	-52.79	396.43	3.51	-49.28
BrC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020224259	1	31	0.0	-52.16	274.55	4.29	-47.87
BrC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020224259	1	31	0.0	-52.13	274.58	4.32	-47.81
CC1=NC2=CC=CC=C2N1CCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224260	0	50	0.0	-57.10	392.02	9.34	-47.76
CC1=NC2=CC=CC=C2N1CCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224260	1	50	0.0	-55.91	392.01	9.30	-46.61
CC1=NC2=CC=CC=C2N1CCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224260	1	50	0.0	-57.09	391.95	9.34	-47.75
CC1=NC2=CC=CC=C2N1CCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224260	1	50	0.0	-55.84	391.94	9.29	-46.55
CC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1F	REAL300020224261	0	39	0.0	-45.77	318.94	4.94	-40.83
CC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1F	REAL300020224261	1	39	0.0	-45.84	318.98	4.92	-40.92
CC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1Cl	REAL300020224262	0	39	0.0	-44.72	324.10	5.19	-39.53
CC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1Cl	REAL300020224262	1	39	0.0	-44.84	324.18	5.17	-39.67
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020224263	0	39	0.0	-53.20	326.12	4.43	-48.77
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020224263	1	39	0.0	-53.99	321.60	4.68	-49.31
O[C@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020224264	0	39	0.0	-53.63	323.41	4.64	-48.99
O[C@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020224264	1	39	0.0	-53.42	325.22	4.34	-49.08
CC(C1=CC=C(F)C=C1)N1CCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224265	0	46	0.0	-49.03	359.51	7.57	-41.46
CC(C1=CC=C(F)C=C1)N1CCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224265	1	46	0.0	-58.86	359.58	7.47	-51.39
CCS(=O)(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224266	0	41	0.0	-55.99	339.43	4.04	-51.95
CCS(=O)(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224266	1	41	0.0	-57.43	339.91	3.96	-53.47
COC(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224267	0	38	0.0	-50.34	319.86	6.58	-43.76
COC(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224267	1	38	0.0	-47.51	320.02	6.59	-40.92
CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224268	0	54	0.0	-50.48	411.05	5.46	-45.02
CC(C)(C)OC(=O)NCCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224268	1	54	0.0	-51.79	411.79	5.58	-46.21
CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224268	1	54	0.0	-50.44	410.99	5.46	-44.98
CC(C)(C)OC(=O)NCCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224268	1	54	0.0	-51.70	411.72	5.58	-46.12
ClC1=CC=CC(Cl)=C1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224270	0	35	0.0	-44.50	308.35	7.24	-37.26
ClC1=CC=CC(Cl)=C1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224270	1	35	0.0	-42.31	308.12	7.24	-35.07
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224271	0	38	0.0	-58.40	325.19	6.58	-51.82
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224271	1	38	0.0	-58.40	325.40	6.60	-51.80
CN(CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020224272	0	40	0.0	-51.45	318.95	0.62	-50.83
CN(CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020224272	1	40	0.0	-49.05	317.28	0.78	-48.27
CC(C(=O)N1CCN(C2=CC=CC=N2)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224273	0	50	0.0	-45.18	377.87	4.95	-40.23
CC(C(=O)N1CCN(C2=CC=CC=N2)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224273	1	50	0.0	-53.40	378.14	4.92	-48.48
O=C1C2=CC=CC=C2C(=O)N1C[C@H](O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224274	0	43	0.0	-51.02	351.86	3.22	-47.80
O=C1C2=CC=CC=C2C(=O)N1C[C@H](O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224274	1	43	0.0	-50.63	354.65	2.87	-47.76
BrC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020224275	1	31	0.0	-52.16	274.55	4.29	-47.87
BrC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020224275	1	31	0.0	-52.13	274.58	4.32	-47.81
CC(C1=CC=C(Br)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224276	0	35	0.0	-49.15	294.86	6.82	-42.33
CC(C1=CC=C(Br)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224276	1	35	0.0	-45.85	295.69	6.93	-38.92
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224277	0	42	0.0	-49.93	329.63	5.63	-44.30
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224277	1	42	0.0	-50.48	326.03	5.87	-44.61
O[C@@H](C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224277	1	42	0.0	-49.89	329.55	5.62	-44.27
O[C@@H](C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224277	1	42	0.0	-50.42	325.96	5.87	-44.55
CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224280	0	35	0.0	-43.23	295.69	6.89	-36.34
CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224280	1	35	0.0	-44.95	297.03	6.82	-38.13
CC(C)(C)OC(=O)NCCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224281	0	49	0.0	-54.58	377.22	0.77	-53.81
CC(C)(C)OC(=O)NCCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224281	1	49	0.0	-53.55	378.05	0.79	-52.76
BrC1=CSC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224282	0	29	0.0	-45.67	267.25	5.13	-40.54
BrC1=CSC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224282	1	29	0.0	-41.06	265.80	5.15	-35.91
ClC1=CC=C(Br)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224283	1	32	0.0	-44.92	292.29	6.71	-38.21
ClC1=CC=C(Br)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224283	1	32	0.0	-41.89	292.03	6.73	-35.16
CCC1=NC(C(C)C)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224285	0	46	0.0	-49.42	346.01	6.88	-42.54
CCC1=NC(C(C)C)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224285	1	46	0.0	-46.03	346.74	6.91	-39.12
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224286	0	42	0.0	-49.93	329.63	5.63	-44.30
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224286	1	42	0.0	-50.48	326.03	5.87	-44.61
O[C@@H](C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224286	1	42	0.0	-49.89	329.55	5.62	-44.27
O[C@@H](C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224286	1	42	0.0	-50.42	325.96	5.87	-44.55
OC(CC1=CC=CC(Cl)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224287	0	39	0.0	-51.87	325.18	4.70	-47.17
OC(CC1=CC=CC(Cl)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224287	1	39	0.0	-50.25	326.96	4.51	-45.74
CC(C)(C)OC(=O)NCC(C)(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224288	0	49	0.0	-50.23	365.52	1.22	-49.01
CC(C)(C)OC(=O)NCC(C)(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224288	1	49	0.0	-51.98	366.45	1.20	-50.78
O=[N+]([O-])C1=C(Cl)C=C(Cl)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224292	1	34	0.0	-46.00	317.85	7.56	-38.44
O=[N+]([O-])C1=C(Cl)C=C(Cl)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224292	1	34	0.0	-46.46	318.30	7.60	-38.86
ClC1=CC2=C(C=C1C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OCCO2	REAL300020224293	0	38	0.0	-46.18	315.31	5.28	-40.90
ClC1=CC2=C(C=C1C[N@H+]1CCC(C3=NN=N[N-]3)C1)OCCO2	REAL300020224293	1	38	0.0	-43.57	314.00	5.23	-38.34
CC1=CC=C(OC(F)F)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224294	0	39	0.0	-44.86	311.89	6.05	-38.81
CC1=CC=C(OC(F)F)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224294	1	39	0.0	-44.48	316.03	5.92	-38.56
FC1=CC(C(F)(F)F)=C(F)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224295	1	35	0.0	-53.34	308.55	6.76	-46.58
FC1=CC(C(F)(F)F)=C(F)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224295	1	35	0.0	-52.26	309.11	6.82	-45.44
ClC1=CC=C2C(=C1)C=CN2CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224296	0	39	0.0	-57.84	330.38	8.22	-49.62
ClC1=CC=C2C(=C1)C=CN2CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224296	1	39	0.0	-54.08	329.56	8.11	-45.97
ClC1=CC=C2C(=C1)C=CN2CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224296	1	39	0.0	-57.75	330.30	8.21	-49.54
ClC1=CC=C2C(=C1)C=CN2CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224296	1	39	0.0	-54.09	329.50	8.09	-46.00
CCN(CCOC)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224298	0	49	0.0	-43.72	381.78	6.47	-37.25
CCN(CCOC)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224298	1	49	0.0	-42.44	382.33	6.57	-35.87
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224299	0	58	0.0	-51.84	425.21	6.53	-45.31
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224299	1	58	0.0	-50.31	424.46	6.47	-43.84
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224299	1	58	0.0	-51.82	425.14	6.52	-45.30
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224299	1	58	0.0	-50.32	424.39	6.46	-43.86
ClC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224300	1	32	0.0	-52.59	294.04	6.61	-45.98
ClC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224300	1	32	0.0	-52.66	294.15	6.63	-46.03
O=C1NC2=CC=CC=C2SC1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224301	0	41	0.0	-50.58	336.96	5.33	-45.25
O=C1NC2=CC=CC=C2SC1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224301	1	41	0.0	-50.92	336.41	5.35	-45.57
O=C1NC2=CC=CC=C2SC1CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224301	1	41	0.0	-50.59	336.89	5.32	-45.27
O=C1NC2=CC=CC=C2SC1CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224301	1	41	0.0	-50.88	336.34	5.33	-45.55
NC(=O)C(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224302	0	40	0.0	-50.75	313.95	1.16	-49.59
NC(=O)C(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224302	1	40	0.0	-65.01	313.86	1.06	-63.95
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)N1	REAL300020224303	0	41	0.0	-50.56	336.45	5.48	-45.08
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)N1	REAL300020224303	1	41	0.0	-50.62	332.68	5.97	-44.65
ClC1=CC(Br)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224304	1	32	0.0	-48.11	296.49	6.68	-41.43
ClC1=CC(Br)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224304	1	32	0.0	-49.93	294.19	6.67	-43.26
CC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224305	0	35	0.0	-46.05	295.67	6.83	-39.22
CC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224305	1	35	0.0	-45.07	295.59	6.88	-38.19
CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224306	0	52	0.0	-55.14	391.02	6.42	-48.72
CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224306	1	52	0.0	-55.00	390.95	6.49	-48.51
CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224306	1	52	0.0	-55.10	390.95	6.41	-48.69
CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224306	1	52	0.0	-54.94	390.88	6.48	-48.46
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(F)C=C1	REAL300020224309	1	40	0.0	-48.99	318.71	5.96	-43.03
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(F)C=C1	REAL300020224309	1	40	0.0	-50.87	317.28	5.94	-44.93
O=C(C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1)C(F)(F)F	REAL300020224310	0	37	0.0	-52.24	317.31	6.37	-45.87
O=C(C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1)C(F)(F)F	REAL300020224310	1	37	0.0	-50.59	314.30	6.35	-44.24
CSC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224311	0	44	0.0	-51.44	360.29	3.99	-47.45
CSC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224311	1	44	0.0	-53.59	360.05	4.01	-49.58
FC1=CC(C2=NC=CO2)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224312	0	38	0.0	-52.11	319.48	4.20	-47.91
FC1=CC(C2=NC=CO2)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224312	1	38	0.0	-48.80	312.81	3.87	-44.93
ClC1=C(Br)C=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224313	1	32	0.0	-47.01	288.69	6.61	-40.40
ClC1=C(Br)C=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224313	1	32	0.0	-49.69	291.48	6.63	-43.06
ClC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(Cl)S1	REAL300020224314	1	29	0.0	-45.80	280.94	5.80	-40.00
ClC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(Cl)S1	REAL300020224314	1	29	0.0	-47.83	281.49	5.79	-42.04
FC(F)(F)COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224315	0	38	0.0	-52.67	325.54	3.67	-49.00
FC(F)(F)COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224315	1	38	0.0	-52.24	323.90	3.59	-48.65
O=[N+]([O-])C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224316	1	34	0.0	-49.52	297.70	6.70	-42.82
O=[N+]([O-])C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224316	1	34	0.0	-57.74	297.43	6.67	-51.07
CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224317	0	35	0.0	-46.39	297.41	6.73	-39.66
CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224317	1	35	0.0	-46.43	297.58	6.75	-39.68
CC(C)(C)OC(=O)N1C2CCC1CC(O)(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)C2	REAL300020224318	0	57	0.0	-48.51	397.24	4.54	-43.97
CC(C)(C)OC(=O)N1C2CCC1CC(O)(C[N@H+]1CCC(C3=NN=N[N-]3)C1)C2	REAL300020224318	1	57	0.0	-49.79	397.09	4.52	-45.27
CC(C)(C)OC(=O)N1C2CCC1CC(O)(C[N@@H+]1CCC(C3=N[N-]N=N3)C1)C2	REAL300020224318	1	57	0.0	-48.51	397.17	4.54	-43.97
CC(C)(C)OC(=O)N1C2CCC1CC(O)(C[N@H+]1CCC(C3=N[N-]N=N3)C1)C2	REAL300020224318	1	57	0.0	-49.74	397.02	4.50	-45.24
COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224320	0	36	0.0	-46.14	302.32	5.42	-40.72
COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224320	1	36	0.0	-47.92	305.09	5.46	-42.46
O=C1CCC2=CC(OCC(O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020224321	0	48	0.0	-57.12	377.52	2.36	-54.76
O=C1CCC2=CC(OCC(O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020224321	1	48	0.0	-57.88	375.85	2.49	-55.39
CCCCCCC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC	REAL300020224322	0	50	0.0	-46.72	385.57	5.65	-41.07
CCCCCCC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC	REAL300020224322	1	50	0.0	-47.96	379.77	5.31	-42.65
C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1CN1CCOCC1	REAL300020224323	0	48	0.0	-47.86	364.99	4.61	-43.25
C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1CN1CCOCC1	REAL300020224323	1	48	0.0	-47.84	365.04	4.61	-43.23
C1=CC(CN2CCOCC2)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224324	0	48	0.0	-46.83	367.46	4.65	-42.18
C1=CC(CN2CCOCC2)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224324	1	48	0.0	-46.95	364.25	4.64	-42.31
ClC1=CC=CC=C1C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020224325	0	38	0.0	-46.29	331.17	7.19	-39.10
ClC1=CC=CC=C1C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020224325	1	38	0.0	-47.67	330.42	7.25	-40.42
FC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224326	1	32	0.0	-53.72	284.91	6.19	-47.53
FC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224326	1	32	0.0	-53.73	285.04	6.21	-47.52
CN(C)S(=O)(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224327	1	40	0.0	-52.60	347.50	2.71	-49.89
CN(C)S(=O)(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224327	1	40	0.0	-54.39	345.85	2.76	-51.63
CC(C)(C)OC(=O)N1CCC(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224328	0	56	0.0	-55.91	409.26	4.26	-51.65
CC(C)(C)OC(=O)N1CCC(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224328	1	56	0.0	-55.69	409.14	4.32	-51.37
CC(C)(C)OC(=O)N1CCC(C(O)C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224328	1	56	0.0	-55.90	409.19	4.26	-51.64
CC(C)(C)OC(=O)N1CCC(C(O)C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224328	1	56	0.0	-55.70	409.08	4.31	-51.39
CN(CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020224329	0	49	0.0	-49.35	375.25	2.59	-46.76
CN(CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020224329	1	49	0.0	-50.85	369.84	3.20	-47.65
C1=CC=C(C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)N=C1	REAL300020224330	0	40	0.0	-52.03	326.17	5.88	-46.15
C1=CC=C(C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)N=C1	REAL300020224330	1	40	0.0	-53.33	327.26	5.92	-47.41
O=[N+]([O-])C1=CC(Br)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224331	1	34	0.0	-45.63	300.43	6.89	-38.74
O=[N+]([O-])C1=CC(Br)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224331	1	34	0.0	-48.36	300.62	6.95	-41.41
CC(C)(C)OC(=O)N1CCCC(O)(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224332	0	56	0.0	-54.53	396.26	4.95	-49.58
CC(C)(C)OC(=O)N1CCCC(O)(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224332	1	56	0.0	-61.40	398.39	5.21	-56.19
CC(C)(C)OC(=O)N1CCCC(O)(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224332	1	56	0.0	-54.50	396.19	4.95	-49.55
CC(C)(C)OC(=O)N1CCCC(O)(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224332	1	56	0.0	-61.32	398.32	5.20	-56.12
O[C@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020224334	0	36	0.0	-48.13	314.82	4.59	-43.54
O[C@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020224334	1	36	0.0	-47.54	317.09	4.32	-43.22
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020224335	0	36	0.0	-47.71	316.83	4.35	-43.36
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020224335	1	36	0.0	-49.59	313.10	4.65	-44.94
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020224337	0	39	0.0	-53.20	326.12	4.43	-48.77
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020224337	1	39	0.0	-53.99	321.60	4.68	-49.31
O=S(=O)(C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1)C(F)(F)F	REAL300020224338	0	38	0.0	-56.98	338.54	3.67	-53.31
O=S(=O)(C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1)C(F)(F)F	REAL300020224338	1	38	0.0	-53.61	335.85	3.66	-49.95
FC1=CC=C(COC2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C(F)=C1	REAL300020224339	0	46	0.0	-48.06	378.32	9.09	-38.97
FC1=CC=C(COC2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C(F)=C1	REAL300020224339	1	46	0.0	-48.66	379.22	9.07	-39.59
CC(C)COC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224340	0	45	0.0	-45.05	351.03	7.27	-37.78
CC(C)COC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224340	1	45	0.0	-44.95	348.41	7.28	-37.67
CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224341	0	46	0.0	-50.53	348.01	4.98	-45.55
CC(C)(C)OC(=O)N1CCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224341	1	46	0.0	-54.64	348.60	4.97	-49.67
CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224341	1	46	0.0	-50.51	347.94	4.96	-45.55
CC(C)(C)OC(=O)N1CCC([N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224341	1	46	0.0	-54.63	348.53	4.96	-49.67
CC(C1=CC=C(Cl)C(Cl)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224342	0	35	0.0	-49.36	305.77	7.22	-42.14
CC(C1=CC=C(Cl)C(Cl)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224342	1	35	0.0	-51.84	305.40	7.17	-44.67
COC1=CN=CC(C=CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224343	0	42	0.0	-52.42	335.50	5.15	-47.27
COC1=CN=CC(C=CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224343	1	42	0.0	-54.54	336.21	5.27	-49.27
COC1=CN=CC(C=CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224343	1	42	0.0	-52.39	335.44	5.15	-47.24
COC1=CN=CC(C=CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224343	1	42	0.0	-54.50	336.14	5.27	-49.23
CC(C)(C)OC(=O)N1CCC(CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224344	0	58	0.0	-54.20	424.97	8.04	-46.16
CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224344	1	58	0.0	-54.71	425.68	8.11	-46.60
CC(C)(C)OC(=O)N1CCC(CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224344	1	58	0.0	-54.18	424.90	8.03	-46.15
CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224344	1	58	0.0	-54.67	425.60	8.10	-46.57
O=C1OC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CN1C1CCCCC1	REAL300020224345	0	47	0.0	-60.29	350.38	5.91	-54.38
O=C1OC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CN1C1CCCCC1	REAL300020224345	1	47	0.0	-57.48	349.49	5.95	-51.53
COC(=O)C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1Cl	REAL300020224346	1	37	0.0	-58.84	319.50	4.71	-54.13
COC(=O)C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1Cl	REAL300020224346	1	37	0.0	-57.99	317.98	4.73	-53.26
FC1(F)OC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020224347	0	35	0.0	-55.78	295.80	4.62	-51.16
FC1(F)OC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020224347	1	35	0.0	-53.96	295.03	4.65	-49.31
BrC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224348	0	32	0.0	-49.41	277.52	6.15	-43.26
BrC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224348	1	32	0.0	-48.96	279.03	6.17	-42.79
FC(F)(F)COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020224349	0	37	0.0	-56.31	322.31	2.29	-54.02
FC(F)(F)COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020224349	1	37	0.0	-53.25	322.50	2.49	-50.76
NC1=NC(Br)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224350	1	33	0.0	-52.18	285.88	3.29	-48.89
NC1=NC(Br)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224350	1	33	0.0	-49.31	283.97	3.22	-46.09
ClC1=CC2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C(Cl)N=C2C=C1	REAL300020224351	0	37	0.0	-45.75	329.71	6.89	-38.86
ClC1=CC2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C(Cl)N=C2C=C1	REAL300020224351	1	37	0.0	-46.66	327.34	6.89	-39.77
CC(C)(C)OC(=O)N1CCCC(O)(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224352	0	53	0.0	-51.00	385.39	4.33	-46.67
CC(C)(C)OC(=O)N1CCCC(O)(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224352	1	53	0.0	-51.32	385.90	4.19	-47.13
CCOC(=O)CCCCCNC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224353	0	53	0.0	-54.37	421.48	5.75	-48.62
CCOC(=O)CCCCCNC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224353	1	53	0.0	-59.09	422.24	5.88	-53.21
CCOC(=O)CCCCCNC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224353	1	53	0.0	-54.31	421.42	5.75	-48.56
CCOC(=O)CCCCCNC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224353	1	53	0.0	-59.08	422.16	5.88	-53.20
COC1=CC=C(OC)C(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224354	0	44	0.0	-46.22	342.09	2.24	-43.98
COC1=CC=C(OC)C(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224354	1	44	0.0	-46.86	341.10	2.39	-44.47
C1=CC=C(COC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020224355	0	45	0.0	-51.35	365.88	6.26	-45.09
C1=CC=C(COC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020224355	1	45	0.0	-51.78	366.73	6.21	-45.57
CS(=O)(=O)CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224356	0	41	0.0	-56.45	342.29	3.81	-52.64
CS(=O)(=O)CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224356	1	41	0.0	-56.48	342.20	3.82	-52.66
C1=CC=C(COC2=CC=CC=C2C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224357	0	46	0.0	-43.97	362.64	9.09	-34.88
C1=CC=C(COC2=CC=CC=C2C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224357	1	46	0.0	-41.75	366.61	8.96	-32.79
COC1=CC=C(C(C)C)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224358	0	45	0.0	-39.96	347.49	6.99	-32.97
COC1=CC=C(C(C)C)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224358	1	45	0.0	-40.44	344.75	6.99	-33.45
FC1(F)OC2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224359	0	35	0.0	-50.94	293.26	4.67	-46.27
FC1(F)OC2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224359	1	35	0.0	-47.47	296.28	4.71	-42.76
CC(=O)C1=CC=CC=C1NC(=O)CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224360	0	47	0.0	-53.09	372.29	6.33	-46.76
CC(=O)C1=CC=CC=C1NC(=O)CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224360	1	47	0.0	-52.76	373.49	6.36	-46.40
CC(=O)C1=CC=CC=C1NC(=O)CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224360	1	47	0.0	-53.06	372.22	6.32	-46.74
CC(=O)C1=CC=CC=C1NC(=O)CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224360	1	47	0.0	-52.69	373.43	6.35	-46.34
CN1C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1SC(F)(F)F	REAL300020224361	1	36	0.0	-52.92	320.52	5.76	-47.16
CN1C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1SC(F)(F)F	REAL300020224361	1	36	0.0	-51.69	312.81	5.46	-46.23
COC(=O)C1=CC=C([N+](=O)[O-])C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224363	0	40	0.0	-45.76	331.37	6.97	-38.79
COC(=O)C1=CC=C([N+](=O)[O-])C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224363	1	40	0.0	-45.26	334.29	6.89	-38.37
CCC(OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224364	0	45	0.0	-45.75	347.14	7.44	-38.31
CCC(OCC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224364	1	45	0.0	-44.80	353.68	7.43	-37.37
FC(F)(F)OC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224366	0	36	0.0	-47.91	304.46	5.34	-42.57
FC(F)(F)OC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224366	1	36	0.0	-49.01	301.41	5.35	-43.66
CS(=O)(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224367	0	40	0.0	-58.32	320.68	1.50	-56.82
CS(=O)(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224367	1	40	0.0	-58.34	314.69	1.23	-57.11
CS(=O)(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224367	1	40	0.0	-58.29	320.61	1.50	-56.79
CS(=O)(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224367	1	40	0.0	-58.30	314.62	1.22	-57.08
CC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020224368	1	38	0.0	-46.74	328.22	5.32	-41.42
CC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020224368	1	38	0.0	-48.64	326.69	5.59	-43.05
ClC1=CC=C(I)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224369	1	32	0.0	-44.36	297.69	7.13	-37.23
ClC1=CC=C(I)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224369	1	32	0.0	-40.76	297.37	7.18	-33.58
C1=CC=C(COC2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)N=C1	REAL300020224370	0	45	0.0	-48.71	360.95	7.17	-41.54
C1=CC=C(COC2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)N=C1	REAL300020224370	1	45	0.0	-48.32	359.44	7.13	-41.19
O=S(=O)(NC1CC1)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224371	0	44	0.0	-56.59	365.93	3.43	-53.16
O=S(=O)(NC1CC1)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224371	1	44	0.0	-57.07	366.83	3.40	-53.67
FC1=CC=C(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224372	0	36	0.0	-56.02	311.70	7.04	-48.98
FC1=CC=C(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224372	1	36	0.0	-52.33	310.95	6.95	-45.38
COC(=O)CCN1CCCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224374	0	45	0.0	-47.20	348.16	4.86	-42.34
COC(=O)CCN1CCCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224374	1	45	0.0	-56.54	349.63	4.87	-51.67
FC1(F)OC2=CC=C(CC[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020224375	0	38	0.0	-55.60	319.59	5.46	-50.14
FC1(F)OC2=CC=C(CC[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020224375	1	38	0.0	-57.25	319.62	5.50	-51.75
FC1(F)OC2=CC=C(CC[N@@H+]3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020224375	1	38	0.0	-55.59	319.52	5.46	-50.13
FC1(F)OC2=CC=C(CC[N@H+]3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020224375	1	38	0.0	-57.19	319.56	5.48	-51.71
ClC1=CC=CC(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224376	0	36	0.0	-50.33	315.02	7.40	-42.93
ClC1=CC=CC(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224376	1	36	0.0	-49.97	315.52	7.35	-42.62
ClC1=CC=CC(SCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224376	1	36	0.0	-50.32	314.95	7.38	-42.94
ClC1=CC=CC(SCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224376	1	36	0.0	-49.96	315.46	7.33	-42.63
COC1=CC=CC(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224377	0	40	0.0	-54.19	327.78	6.17	-48.02
COC1=CC=CC(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224377	1	40	0.0	-50.37	328.28	6.14	-44.23
COC1=CC=CC(SCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224377	1	40	0.0	-54.10	327.70	6.16	-47.94
COC1=CC=CC(SCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224377	1	40	0.0	-50.31	328.21	6.12	-44.19
FC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1OC(F)F	REAL300020224378	1	36	0.0	-45.60	296.29	5.45	-40.15
FC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1OC(F)F	REAL300020224378	1	36	0.0	-46.63	300.90	5.31	-41.32
FC1=CC=C(OC(F)F)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224379	1	36	0.0	-48.26	302.02	5.37	-42.89
FC1=CC=C(OC(F)F)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224379	1	36	0.0	-46.81	301.07	5.30	-41.51
BrC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020224380	1	35	0.0	-43.56	300.19	6.50	-37.06
BrC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020224380	1	35	0.0	-45.03	308.07	6.74	-38.29
FC(F)(F)C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020224382	1	35	0.0	-53.50	310.59	6.99	-46.51
FC(F)(F)C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020224382	1	35	0.0	-53.29	309.12	7.03	-46.26
CC1=CC(Br)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224383	1	35	0.0	-44.57	310.72	7.33	-37.24
CC1=CC(Br)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224383	1	35	0.0	-41.52	310.52	7.32	-34.20
CC(C)(C)OC(=O)N1CC2(C1)CCC(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)O2	REAL300020224385	0	54	0.0	-52.95	407.60	5.45	-47.50
CC(C)(C)OC(=O)N1CC2(C1)CCC(C[N@H+]1CCC(C3=NN=N[N-]3)C1)O2	REAL300020224385	1	54	0.0	-51.56	407.74	5.42	-46.14
CN1C=C(C2=NCC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)O2)C=N1	REAL300020224386	0	40	0.0	-51.27	324.34	0.21	-51.06
CN1C=C(C2=NCC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)O2)C=N1	REAL300020224386	1	40	0.0	-49.39	324.37	0.19	-49.20
COC(=O)C1=CC=C2NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224387	1	41	0.0	-58.32	340.35	4.87	-53.45
COC(=O)C1=CC=C2NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224387	1	41	0.0	-54.09	340.12	4.95	-49.14
COC(=O)CCN1CCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224388	0	42	0.0	-56.58	337.23	4.30	-52.28
COC(=O)CCN1CCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224388	1	42	0.0	-50.07	336.13	4.30	-45.77
C1=CC=C2C(=C1)SN=C2CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224390	0	37	0.0	-53.59	310.68	6.42	-47.17
C1=CC=C2C(=C1)SN=C2CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224390	1	37	0.0	-57.00	311.06	6.38	-50.62
C1=CC=C2C(=C1)SN=C2CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224390	1	37	0.0	-53.60	310.61	6.41	-47.19
C1=CC=C2C(=C1)SN=C2CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224390	1	37	0.0	-56.97	310.99	6.37	-50.60
OC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020224391	1	36	0.0	-51.02	308.23	3.70	-47.32
OC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020224391	1	36	0.0	-51.00	306.72	3.72	-47.28
CCOP(=O)(OCC)C(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224392	0	43	0.0	-45.25	349.58	1.71	-43.54
CCOP(=O)(OCC)C(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224392	1	43	0.0	-47.17	352.03	1.53	-45.64
CC(C)(C)OC(=O)N1CCOC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224393	0	50	0.0	-48.40	373.66	4.62	-43.78
CC(C)(C)OC(=O)N1CCOC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224393	1	50	0.0	-49.49	375.70	4.41	-45.08
N#CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020224394	0	36	0.0	-54.64	304.75	6.76	-47.88
N#CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020224394	1	36	0.0	-54.84	305.89	6.93	-47.91
CC(C)(C)OC(=O)C1CCC(O)(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224395	0	54	0.0	-46.47	388.40	5.44	-41.03
CC(C)(C)OC(=O)C1CCC(O)(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224395	1	54	0.0	-46.68	388.43	5.52	-41.16
CC(C)(C)OC(=O)C1CCC(O)(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224395	1	54	0.0	-46.44	388.33	5.43	-41.01
CC(C)(C)OC(=O)C1CCC(O)(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224395	1	54	0.0	-46.68	388.36	5.51	-41.17
O=S(=O)(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020224396	1	44	0.0	-57.35	342.35	3.51	-53.84
O=S(=O)(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020224396	1	44	0.0	-62.31	343.07	3.64	-58.67
O=C1NC2=CC=C(Br)C=C2CCC1[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224397	0	40	0.0	-51.39	326.13	5.58	-45.81
O=C1NC2=CC=C(Br)C=C2CCC1[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224397	1	40	0.0	-52.16	325.43	5.53	-46.63
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1CCCCC1	REAL300020224398	0	46	0.0	-53.46	338.69	5.86	-47.60
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1CCCCC1	REAL300020224398	1	46	0.0	-44.36	338.39	5.87	-38.49
COC(CC1=CC=C(F)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224399	0	42	0.0	-52.96	335.86	6.31	-46.65
COC(CC1=CC=C(F)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224399	1	42	0.0	-49.22	337.11	6.50	-42.72
C[C@@H](NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224401	1	42	0.0	-49.18	334.14	5.00	-44.18
C[C@@H](NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224401	1	42	0.0	-46.90	334.90	5.07	-41.83
COC1=CC=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224402	0	42	0.0	-52.54	343.39	6.06	-46.48
COC1=CC=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224402	1	42	0.0	-54.72	342.72	6.13	-48.59
CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224403	0	49	0.0	-47.65	359.18	5.34	-42.31
CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224403	1	49	0.0	-51.13	363.68	5.66	-45.47
CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224403	1	49	0.0	-47.65	359.11	5.33	-42.32
CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224403	1	49	0.0	-51.13	363.60	5.65	-45.48
CC(C)(C)OC(=O)CN1CCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224404	1	48	0.0	-47.29	370.16	5.94	-41.35
CC(C)(C)OC(=O)CN1CCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224404	1	48	0.0	-46.51	370.73	5.85	-40.66
CC1=CC(Br)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224405	1	35	0.0	-44.57	310.72	7.33	-37.24
CC1=CC(Br)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224405	1	35	0.0	-41.52	310.52	7.32	-34.20
FC1(F)OC2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224406	0	35	0.0	-50.94	293.26	4.67	-46.27
FC1(F)OC2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224406	1	35	0.0	-47.47	296.28	4.71	-42.76
CN(C(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224407	0	42	0.0	-55.64	335.62	6.39	-49.25
CN(C(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224407	1	42	0.0	-59.38	335.15	6.41	-52.97
CN(C(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224407	1	42	0.0	-55.59	335.55	6.38	-49.21
CN(C(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224407	1	42	0.0	-59.31	335.08	6.39	-52.92
COC1=CC=C(CN2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020224408	0	47	0.0	-57.32	371.01	5.73	-51.59
COC1=CC=C(CN2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020224408	1	47	0.0	-48.04	370.73	5.75	-42.29
COC1=NC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224410	1	35	0.0	-44.94	299.87	3.08	-41.86
COC1=NC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224410	1	35	0.0	-46.91	306.36	3.00	-43.91
ClC1=CC=C(I)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224411	1	32	0.0	-44.36	297.69	7.13	-37.23
ClC1=CC=C(I)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224411	1	32	0.0	-40.76	297.37	7.18	-33.58
CNS(=O)(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224412	0	40	0.0	-55.95	333.85	1.79	-54.16
CNS(=O)(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224412	1	40	0.0	-57.29	334.35	1.71	-55.58
CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224414	0	49	0.0	-57.18	375.49	5.75	-51.43
CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224414	1	49	0.0	-58.85	375.45	5.79	-53.06
CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224414	1	49	0.0	-57.18	375.42	5.74	-51.44
CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224414	1	49	0.0	-58.81	375.37	5.79	-53.02
CC(C)(C)OC(=O)N1CCC2=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=CC=C2C1	REAL300020224415	0	56	0.0	-50.60	418.26	8.76	-41.84
CC(C)(C)OC(=O)N1CCC2=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=CC=C2C1	REAL300020224415	1	56	0.0	-50.83	416.50	8.69	-42.14
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(Br)C=N1	REAL300020224416	1	35	0.0	-46.99	302.73	2.90	-44.09
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(Br)C=N1	REAL300020224416	1	35	0.0	-47.03	302.98	2.88	-44.15
ClC1=CC=CC(CCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224417	0	41	0.0	-47.59	339.73	8.44	-39.15
ClC1=CC=CC(CCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224417	1	41	0.0	-49.65	339.62	8.49	-41.16
ClC1=CC=CC(CCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224417	1	41	0.0	-47.57	339.66	8.44	-39.13
ClC1=CC=CC(CCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224417	1	41	0.0	-49.65	339.54	8.48	-41.17
ClC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020224418	0	35	0.0	-43.30	298.63	6.40	-36.90
ClC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020224418	1	35	0.0	-42.71	299.56	6.48	-36.23
N#CC1=CC=CC=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224419	0	41	0.0	-58.29	339.98	3.43	-54.86
N#CC1=CC=CC=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224419	1	41	0.0	-58.06	340.09	3.42	-54.64
COC1=CC=C(C2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC3=C2OCO3)C=N1	REAL300020224421	0	48	0.0	-56.75	391.74	4.56	-52.19
COC1=CC=C(C2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC3=C2OCO3)C=N1	REAL300020224421	1	48	0.0	-57.54	391.05	4.64	-52.90
COC1=NC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020224423	0	41	0.0	-47.63	327.40	4.53	-43.10
COC1=NC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020224423	1	41	0.0	-48.91	327.12	4.51	-44.40
CN(C)C1=NC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020224424	0	45	0.0	-47.79	351.88	6.59	-41.20
CN(C)C1=NC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020224424	1	45	0.0	-46.97	349.65	6.52	-40.45
CC1=CC=CC=C1SCC(C)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224425	0	45	0.0	-48.22	354.57	8.77	-39.45
CC1=CC=CC=C1SCC(C)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224425	1	45	0.0	-48.90	354.88	8.86	-40.04
CC1=CC=CC=C1SCC(C)C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224425	1	45	0.0	-48.19	354.50	8.76	-39.43
CC1=CC=CC=C1SCC(C)C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224425	1	45	0.0	-48.86	354.81	8.85	-40.01
BrC1=CN=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224426	1	31	0.0	-44.30	270.88	4.54	-39.76
BrC1=CN=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224426	1	31	0.0	-44.43	270.70	4.48	-39.95
FC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1C(F)(F)F	REAL300020224428	0	41	0.0	-52.98	359.46	5.10	-47.88
FC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1C(F)(F)F	REAL300020224428	1	41	0.0	-50.02	360.29	5.15	-44.87
FC1=CC=CC=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224429	0	38	0.0	-47.06	320.73	4.10	-42.96
FC1=CC=CC=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224429	1	38	0.0	-49.17	318.98	4.48	-44.69
ClC1=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=CC(Cl)=C1	REAL300020224430	0	38	0.0	-50.29	348.65	5.05	-45.24
ClC1=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=CC(Cl)=C1	REAL300020224430	1	38	0.0	-46.45	349.42	5.12	-41.33
OC1(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN(CC2=CC=CC=C2)C1	REAL300020224431	0	48	0.0	-46.15	362.19	3.01	-43.14
OC1(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CCN(CC2=CC=CC=C2)C1	REAL300020224431	1	48	0.0	-45.89	363.70	3.29	-42.60
N#CC1(CC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020224432	0	44	0.0	-54.24	335.18	1.71	-52.53
N#CC1(CC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020224432	1	44	0.0	-59.63	334.44	1.71	-57.92
CCCCCCCCCCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224433	0	56	0.0	-44.86	423.20	7.22	-37.64
CCCCCCCCCCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224433	1	56	0.0	-45.88	419.82	7.49	-38.39
COC1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020224434	0	42	0.0	-50.95	344.67	3.34	-47.61
COC1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020224434	1	42	0.0	-47.73	345.44	3.41	-44.32
FC(F)(F)[C@@H]1OC2=CC=CC=C2C[C@H]1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224437	0	43	0.0	-53.93	342.79	7.13	-46.80
FC(F)(F)[C@@H]1OC2=CC=CC=C2C[C@H]1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224437	1	43	0.0	-53.33	338.33	6.85	-46.48
FC(F)(F)[C@@H]1OC2=CC=CC=C2C[C@H]1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224437	1	43	0.0	-53.89	342.72	7.11	-46.78
FC(F)(F)[C@@H]1OC2=CC=CC=C2C[C@H]1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224437	1	43	0.0	-53.22	338.27	6.83	-46.39
OC(COC1=CC(Cl)=CC(Cl)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224438	0	40	0.0	-51.34	353.93	4.09	-47.25
OC(COC1=CC(Cl)=CC(Cl)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224438	1	40	0.0	-51.08	352.88	4.03	-47.05
CC1=CC=C2SC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224442	0	37	0.0	-44.34	312.61	5.77	-38.57
CC1=CC=C2SC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224442	1	37	0.0	-44.04	309.42	5.71	-38.33
CCC1=CC=C(C(CC(C)C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224444	0	50	0.0	-42.35	374.14	9.59	-32.76
CCC1=CC=C(C(CC(C)C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224444	1	50	0.0	-42.39	370.53	9.26	-33.13
CCC1=CC=C(C(CC(C)C)[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224444	1	50	0.0	-42.32	374.06	9.57	-32.75
CCC1=CC=C(C(CC(C)C)[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224444	1	50	0.0	-42.39	370.46	9.26	-33.13
BrCC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020224446	0	35	0.0	-42.94	276.73	5.75	-37.19
BrCC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020224446	1	35	0.0	-39.81	280.78	6.20	-33.61
BrCC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020224446	1	35	0.0	-42.91	276.66	5.74	-37.17
BrCC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020224446	1	35	0.0	-39.77	280.72	6.19	-33.58
FC(F)(F)C1=CC=CC=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224447	0	41	0.0	-47.48	346.01	5.05	-42.43
FC(F)(F)C1=CC=CC=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224447	1	41	0.0	-49.43	346.11	5.20	-44.23
CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224448	1	47	0.0	-56.75	374.29	0.29	-56.46
CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224448	1	47	0.0	-56.40	373.45	0.30	-56.10
CC(C(=O)N[C@H](C)C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224449	0	45	0.0	-45.81	351.24	5.53	-40.28
CC(C(=O)N[C@H](C)C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224449	1	45	0.0	-54.13	351.26	5.52	-48.61
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1	REAL300020224450	1	43	0.0	-49.08	333.29	6.82	-42.26
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1	REAL300020224450	1	43	0.0	-50.13	333.49	6.89	-43.24
FC(F)(F)C1=CC(C(F)(F)F)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224451	1	38	0.0	-54.39	333.94	7.54	-46.85
FC(F)(F)C1=CC(C(F)(F)F)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224451	1	38	0.0	-52.45	335.91	7.54	-44.91
COC(=O)C1=CC(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020224452	1	41	0.0	-48.47	339.59	4.66	-43.81
COC(=O)C1=CC(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020224452	1	41	0.0	-50.08	339.17	4.68	-45.40
CN1C(=O)OC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020224454	0	38	0.0	-60.84	310.63	5.54	-55.30
CN1C(=O)OC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020224454	1	38	0.0	-61.82	311.54	5.51	-56.31
COC1=CC=CC=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224455	0	42	0.0	-46.26	343.50	4.22	-42.04
COC1=CC=CC=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224455	1	42	0.0	-47.96	342.81	4.33	-43.63
CCSC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224456	0	39	0.0	-46.18	336.12	8.04	-38.14
CCSC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224456	1	39	0.0	-41.66	334.65	8.03	-33.63
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)OC(C2=CC=CC=C2)=N1	REAL300020224458	0	41	0.0	-49.13	328.55	4.61	-44.52
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)OC(C2=CC=CC=C2)=N1	REAL300020224458	1	41	0.0	-48.30	335.64	4.96	-43.34
C1=CC=C(C2=NC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020224460	0	40	0.0	-52.87	326.62	6.87	-46.00
C1=CC=C(C2=NC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020224460	1	40	0.0	-52.35	324.72	6.79	-45.56
FC1=C(Cl)C=C(Cl)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224461	1	32	0.0	-44.78	297.72	6.70	-38.08
FC1=C(Cl)C=C(Cl)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224461	1	32	0.0	-45.27	289.67	6.38	-38.89
FC(F)(F)C1=CC=C([C@@H]2OCCC[C@H]2C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224463	0	49	0.0	-51.97	386.37	8.28	-43.69
FC(F)(F)C1=CC=C([C@@H]2OCCC[C@H]2C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224463	1	49	0.0	-51.94	380.36	7.87	-44.07
FC(F)(F)C1=CC=C([C@@H]2OCCC[C@H]2C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224463	1	49	0.0	-51.92	386.29	8.27	-43.65
FC(F)(F)C1=CC=C([C@@H]2OCCC[C@H]2C[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224463	1	49	0.0	-51.91	380.29	7.86	-44.05
CC1=NC=C(CNC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224465	0	41	0.0	-56.33	346.87	2.70	-53.63
CC1=NC=C(CNC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224465	1	41	0.0	-56.66	347.03	2.80	-53.86
CC1=NC=C(CNC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224465	1	41	0.0	-56.26	346.80	2.69	-53.57
CC1=NC=C(CNC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224465	1	41	0.0	-56.61	346.96	2.79	-53.82
CC[NH+]1CCN(C2=CC=C(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020224466	0	56	0.0	-72.73	416.13	3.16	-69.57
CC[NH+]1CCN(C2=CC=C(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020224466	1	56	0.0	-72.72	416.20	3.17	-69.55
CN1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=N1	REAL300020224467	1	32	0.0	-49.53	282.78	3.93	-45.60
CN1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=N1	REAL300020224467	1	32	0.0	-45.43	272.16	3.42	-42.01
CCC(C(=O)NC1=CC=C(C)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224468	0	45	0.0	-56.37	345.86	5.97	-50.40
CCC(C(=O)NC1=CC=C(C)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224468	1	45	0.0	-45.82	343.79	6.01	-39.81
O=[N+]([O-])C1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224469	0	41	0.0	-57.25	338.61	6.64	-50.61
O=[N+]([O-])C1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224469	1	41	0.0	-58.39	338.11	6.69	-51.70
O=[N+]([O-])C1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224469	1	41	0.0	-57.17	338.54	6.64	-50.53
O=[N+]([O-])C1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224469	1	41	0.0	-58.34	338.04	6.69	-51.65
CCC(C(=O)N(C)C1=CC=C(C)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224470	0	48	0.0	-45.75	354.73	7.01	-38.74
CCC(C(=O)N(C)C1=CC=C(C)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224470	1	48	0.0	-43.10	356.81	7.20	-35.90
BrC1=CN=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224471	1	31	0.0	-44.30	270.88	4.54	-39.76
BrC1=CN=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224471	1	31	0.0	-44.43	270.70	4.48	-39.95
CCOC(=O)C1=NC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224472	1	37	0.0	-54.76	322.15	4.41	-50.35
CCOC(=O)C1=NC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224472	1	37	0.0	-53.84	321.20	4.46	-49.38
FC1(F)OC2=CC=CC(CC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224473	0	38	0.0	-53.31	320.40	5.58	-47.73
FC1(F)OC2=CC=CC(CC[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224473	1	38	0.0	-48.95	319.56	5.47	-43.48
FC1(F)OC2=CC=CC(CC[N@@H+]3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020224473	1	38	0.0	-53.28	320.32	5.57	-47.71
FC1(F)OC2=CC=CC(CC[N@H+]3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020224473	1	38	0.0	-48.91	319.50	5.45	-43.46
C1=CC=C2OC(C3=NC=CC(C[N@@H+]4CCC(C5=NN=N[N-]5)C4)=N3)CC2=C1	REAL300020224475	0	45	0.0	-54.88	363.97	6.27	-48.61
C1=CC=C2OC(C3=NC=CC(C[N@H+]4CCC(C5=NN=N[N-]5)C4)=N3)CC2=C1	REAL300020224475	1	45	0.0	-53.03	364.94	6.51	-46.52
CCOC(=O)C1=NC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224476	1	37	0.0	-54.76	322.15	4.41	-50.35
CCOC(=O)C1=NC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224476	1	37	0.0	-53.84	321.20	4.46	-49.38
COC(=O)C=CC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224481	0	46	0.0	-53.99	370.91	7.37	-46.62
COC(=O)C=CC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224481	1	46	0.0	-53.15	374.16	7.29	-45.86
COC(=O)C=CC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224482	0	46	0.0	-53.99	370.91	7.37	-46.62
COC(=O)C=CC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224482	1	46	0.0	-53.15	374.16	7.29	-45.86
COC(=O)C1=CC=C(OC)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224483	0	42	0.0	-51.58	341.82	5.74	-45.84
COC(=O)C1=CC=C(OC)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224483	1	42	0.0	-46.53	339.50	5.63	-40.90
CN1C=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=N1	REAL300020224484	1	38	0.0	-47.36	328.75	4.05	-43.31
CN1C=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=N1	REAL300020224484	1	38	0.0	-50.89	327.01	4.40	-46.49
N#CC1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020224486	0	39	0.0	-53.49	336.03	4.43	-49.06
N#CC1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020224486	1	39	0.0	-50.71	336.80	4.49	-46.22
O=[N+]([O-])C1=CC(Cl)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224487	1	34	0.0	-45.69	295.86	6.79	-38.90
O=[N+]([O-])C1=CC(Cl)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224487	1	34	0.0	-48.30	296.06	6.84	-41.46
ClC1=CC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C2C=C1	REAL300020224488	0	37	0.0	-45.71	316.89	6.39	-39.32
ClC1=CC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C2C=C1	REAL300020224488	1	37	0.0	-45.97	316.57	6.58	-39.39
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224489	0	36	0.0	-53.59	319.33	4.41	-49.18
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224489	1	36	0.0	-53.42	315.84	4.59	-48.83
O[C@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224490	0	36	0.0	-53.69	315.71	4.59	-49.10
O[C@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224490	1	36	0.0	-53.81	318.84	4.28	-49.53
CC1=CC(Br)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224492	0	35	0.0	-47.85	294.26	6.86	-40.99
CC1=CC(Br)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224492	1	35	0.0	-47.80	294.18	6.87	-40.93
C1=CC=C(C2CCCC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020224493	0	46	0.0	-47.71	345.74	7.36	-40.35
C1=CC=C(C2CCCC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020224493	1	46	0.0	-45.65	346.43	7.43	-38.22
C(C1CCC2(CCOCC2)CO1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224494	0	47	0.0	-47.87	335.58	4.16	-43.71
C(C1CCC2(CCOCC2)CO1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224494	1	47	0.0	-47.47	333.58	4.48	-42.99
BrC1=CC=CC=C1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224495	0	35	0.0	-47.00	297.89	6.93	-40.07
BrC1=CC=CC=C1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224495	1	35	0.0	-45.60	297.18	6.91	-38.69
OC(CC(O)C1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224496	0	43	0.0	-50.07	336.08	2.94	-47.13
OC(CC(O)C1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224496	1	43	0.0	-49.97	334.92	3.14	-46.83
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224497	0	36	0.0	-53.59	319.33	4.41	-49.18
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224497	1	36	0.0	-53.42	315.84	4.59	-48.83
O[C@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224498	0	36	0.0	-53.69	315.71	4.59	-49.10
O[C@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224498	1	36	0.0	-53.81	318.84	4.28	-49.53
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC(Br)=NO1	REAL300020224502	1	32	0.0	-55.91	284.20	1.58	-54.33
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC(Br)=NO1	REAL300020224502	1	32	0.0	-56.01	283.36	1.74	-54.27
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC(Br)=NO1	REAL300020224507	1	32	0.0	-55.91	284.20	1.58	-54.33
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC(Br)=NO1	REAL300020224507	1	32	0.0	-56.01	283.36	1.74	-54.27
CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224508	1	43	0.0	-56.75	339.55	2.92	-53.83
CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224508	1	43	0.0	-57.57	339.69	3.02	-54.55
COC1=CC=C([N+](=O)[O-])C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224509	0	38	0.0	-51.27	314.15	5.70	-45.57
COC1=CC=C([N+](=O)[O-])C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224509	1	38	0.0	-50.67	315.99	5.64	-45.03
CC1=CC2=CC=C(C)C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020224510	0	44	0.0	-43.81	332.80	8.82	-34.99
CC1=CC2=CC=C(C)C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020224510	1	44	0.0	-43.49	333.01	8.79	-34.70
CC1=CC2=CC=C(C)C(C[N@@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020224510	1	44	0.0	-43.82	332.73	8.80	-35.02
CC1=CC2=CC=C(C)C(C[N@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020224510	1	44	0.0	-43.48	332.95	8.77	-34.71
O[C@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020224511	0	36	0.0	-50.70	306.31	4.18	-46.52
O[C@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020224511	1	36	0.0	-51.67	308.20	3.96	-47.71
COC1=CC=C2OC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2=C1	REAL300020224512	0	41	0.0	-47.62	323.48	4.91	-42.71
COC1=CC=C2OC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2=C1	REAL300020224512	1	41	0.0	-50.23	321.28	5.12	-45.11
ClC1=CC2=CC=CC=C2C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224513	0	38	0.0	-47.06	315.73	8.27	-38.79
ClC1=CC2=CC=CC=C2C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224513	1	38	0.0	-46.87	317.07	8.27	-38.60
C1=CC=C(CC2CC[NH+](CCCN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224514	0	56	0.0	-60.69	414.75	8.40	-52.29
C1=CC=C(CC2CC[NH+](CCCN3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224514	1	56	0.0	-60.69	414.82	8.42	-52.27
CC(COCC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224517	0	45	0.0	-46.74	351.98	7.16	-39.58
CC(COCC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224517	1	45	0.0	-47.93	352.92	7.23	-40.70
CC(COCC1=CC=CC=C1)C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224517	1	45	0.0	-46.70	351.91	7.15	-39.55
CC(COCC1=CC=CC=C1)C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224517	1	45	0.0	-47.91	352.84	7.23	-40.68
COC(=O)C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020224518	0	41	0.0	-52.79	346.21	7.39	-45.40
COC(=O)C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020224518	1	41	0.0	-51.44	342.40	7.68	-43.76
COC(=O)C(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020224518	1	41	0.0	-52.73	346.14	7.38	-45.35
COC(=O)C(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020224518	1	41	0.0	-51.39	342.33	7.66	-43.73
BrC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C12	REAL300020224521	0	38	0.0	-49.70	319.94	8.32	-41.38
BrC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C12	REAL300020224521	1	38	0.0	-49.72	319.87	8.32	-41.40
CC(C)(C)OC(=O)N1CC2(C1)CC(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OC2=O	REAL300020224522	0	53	0.0	-66.42	412.66	6.04	-60.38
CC(C)(C)OC(=O)N1CC2(C1)CC(C[N@H+]1CCC(C3=NN=N[N-]3)C1)OC2=O	REAL300020224522	1	53	0.0	-62.19	411.96	5.95	-56.24
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224523	0	52	0.0	-50.96	389.90	6.30	-44.66
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224523	1	52	0.0	-52.66	383.42	6.04	-46.62
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224523	1	52	0.0	-50.93	389.84	6.29	-44.64
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224523	1	52	0.0	-52.61	383.34	6.04	-46.57
FC1(F)[C@@H](C[N@@H+]2CCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300020224524	0	39	0.0	-49.67	318.27	7.79	-41.88
FC1(F)[C@@H](C[N@H+]2CCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300020224524	1	39	0.0	-48.15	319.30	7.84	-40.31
FC1(F)[C@@H](C[N@@H+]2CCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300020224524	1	39	0.0	-49.71	318.20	7.78	-41.93
FC1(F)[C@@H](C[N@H+]2CCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300020224524	1	39	0.0	-48.10	319.23	7.83	-40.27
CCOC(=O)C1CCC(O)(CC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224525	0	55	0.0	-49.20	409.46	3.52	-45.68
CCOC(=O)C1CCC(O)(CC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224525	1	55	0.0	-53.41	409.90	3.94	-49.47
CCC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=C1	REAL300020224526	0	44	0.0	-43.40	332.05	8.84	-34.56
CCC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=C1	REAL300020224526	1	44	0.0	-42.67	328.97	8.83	-33.84
CCC1=C(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=C1	REAL300020224526	1	44	0.0	-43.38	331.98	8.82	-34.56
CCC1=C(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=C1	REAL300020224526	1	44	0.0	-42.60	328.90	8.82	-33.78
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020224527	0	36	0.0	-51.15	308.67	4.05	-47.10
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020224527	1	36	0.0	-51.82	304.15	4.30	-47.52
O=C(OCC1=CC=CC=C1)N1CCCC(O)(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224528	0	54	0.0	-48.23	412.60	6.26	-41.97
O=C(OCC1=CC=CC=C1)N1CCCC(O)(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224528	1	54	0.0	-53.14	412.80	6.15	-46.99
ClC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224529	1	32	0.0	-46.33	287.75	6.58	-39.75
ClC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224529	1	32	0.0	-49.28	290.53	6.62	-42.66
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224530	0	52	0.0	-54.20	382.42	4.96	-49.24
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224530	1	52	0.0	-53.14	388.34	5.17	-47.97
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224530	1	52	0.0	-54.21	382.34	4.96	-49.25
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224530	1	52	0.0	-53.06	388.27	5.17	-47.89
BrC1=CC2=C(C=C1C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020224531	1	35	0.0	-46.99	300.31	4.87	-42.12
BrC1=CC2=C(C=C1C[N@H+]1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020224531	1	35	0.0	-48.24	301.34	4.82	-43.42
CC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020224532	1	34	0.0	-51.74	293.20	4.81	-46.93
CC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020224532	1	34	0.0	-51.87	290.01	4.78	-47.09
FC1=CC=CC=C1COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224534	0	46	0.0	-49.09	372.88	8.98	-40.11
FC1=CC=CC=C1COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224534	1	46	0.0	-49.02	371.15	8.98	-40.04
O=C1C2=CC=CC=C2C(=O)N1CCOCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224535	0	46	0.0	-45.63	375.39	5.64	-39.99
O=C1C2=CC=CC=C2C(=O)N1CCOCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224535	1	46	0.0	-48.59	379.27	5.49	-43.10
CC1=CN2C(=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC2=O)S1	REAL300020224536	0	37	0.0	-50.00	318.33	5.49	-44.51
CC1=CN2C(=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC2=O)S1	REAL300020224536	1	37	0.0	-50.93	315.69	5.88	-45.05
O=C1C2=CC=CC=C2C(=O)N1CC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224537	1	45	0.0	-46.41	391.99	5.92	-40.49
O=C1C2=CC=CC=C2C(=O)N1CC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224537	1	45	0.0	-49.41	390.25	6.25	-43.16
FC1=CC=C(C(C2=CC=C(Cl)C=C2)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224538	0	42	0.0	-51.27	352.75	9.82	-41.45
FC1=CC=C(C(C2=CC=C(Cl)C=C2)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224538	1	42	0.0	-50.80	352.41	9.81	-40.99
COC(=O)C1=CC=C(Br)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224539	0	38	0.0	-45.92	329.95	6.89	-39.03
COC(=O)C1=CC=C(Br)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224539	1	38	0.0	-45.97	330.27	6.85	-39.12
CN1N=C(C(F)(F)F)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224540	1	35	0.0	-54.91	301.31	4.16	-50.75
CN1N=C(C(F)(F)F)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224540	1	35	0.0	-56.37	293.34	3.80	-52.57
CN1N=C(C(F)(F)F)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224541	1	35	0.0	-54.91	301.31	4.16	-50.75
CN1N=C(C(F)(F)F)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224541	1	35	0.0	-56.37	293.34	3.80	-52.57
CC(C)(C)NS(=O)(=O)C1(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020224542	0	53	0.0	-49.12	385.01	1.38	-47.74
CC(C)(C)NS(=O)(=O)C1(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020224542	1	53	0.0	-53.85	386.06	1.18	-52.67
CC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)C=C1I	REAL300020224543	0	38	0.0	-47.76	318.61	7.82	-39.94
CC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)C=C1I	REAL300020224543	1	38	0.0	-47.41	318.27	7.86	-39.55
C1=CC(N2CCOCC2)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224544	0	45	0.0	-47.84	341.89	4.37	-43.47
C1=CC(N2CCOCC2)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224544	1	45	0.0	-47.68	341.73	4.37	-43.31
OC(COC1=CC=C2C=CNC2=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224545	0	44	0.0	-54.21	351.08	3.03	-51.18
OC(COC1=CC=C2C=CNC2=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224545	1	44	0.0	-54.65	347.32	3.33	-51.32
CC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(F)(F)C(F)(F)F	REAL300020224546	0	35	0.0	-50.97	284.46	2.61	-48.36
CC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(F)(F)C(F)(F)F	REAL300020224546	1	35	0.0	-50.66	285.29	2.49	-48.17
CCOC(=O)C(CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OCC	REAL300020224547	0	49	0.0	-47.46	390.24	7.47	-39.99
CCOC(=O)C(CCC[N@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OCC	REAL300020224547	1	49	0.0	-47.53	390.27	7.43	-40.10
CCOC(=O)C(CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1)C(=O)OCC	REAL300020224547	1	49	0.0	-47.43	390.18	7.45	-39.98
CCOC(=O)C(CCC[N@H+]1CCC(C2=N[N-]N=N2)C1)C(=O)OCC	REAL300020224547	1	49	0.0	-47.46	390.20	7.42	-40.04
OC1(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CCC2(CC1)OCCO2	REAL300020224550	0	45	0.0	-45.80	325.27	2.39	-43.41
OC1(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CCC2(CC1)OCCO2	REAL300020224550	1	45	0.0	-47.35	325.80	2.27	-45.08
CCOC1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224551	0	43	0.0	-47.76	336.87	6.25	-41.51
CCOC1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224551	1	43	0.0	-50.39	338.44	6.09	-44.30
C#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224552	0	41	0.0	-55.32	341.03	5.78	-49.54
C#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224552	1	41	0.0	-60.55	341.78	5.91	-54.64
C#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224552	1	41	0.0	-55.31	340.96	5.78	-49.53
C#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224552	1	41	0.0	-60.48	341.70	5.91	-54.57
CC(C)(C)OC(=O)N1CCC2(COC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C2)CC1	REAL300020224553	0	60	0.0	-52.64	433.55	6.39	-46.25
CC(C)(C)OC(=O)N1CCC2(COC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C2)CC1	REAL300020224553	1	60	0.0	-52.17	431.97	6.77	-45.40
CC(C)(C)OC(=O)N1CCC1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224554	0	46	0.0	-43.16	348.28	5.21	-37.95
CC(C)(C)OC(=O)N1CCC1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224554	1	46	0.0	-53.93	353.55	5.04	-48.89
CC(C)(C)OC(=O)N1CCC1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224554	1	46	0.0	-43.18	348.20	5.20	-37.98
CC(C)(C)OC(=O)N1CCC1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224554	1	46	0.0	-53.93	353.49	5.03	-48.90
CC(C)(C)OC(=O)N1CCC2(COC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C2)C1	REAL300020224555	0	57	0.0	-50.03	422.94	5.70	-44.33
CC(C)(C)OC(=O)N1CCC2(COC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C2)C1	REAL300020224555	1	57	0.0	-51.55	424.05	5.75	-45.80
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)OC2C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224556	0	53	0.0	-62.96	407.48	5.80	-57.16
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)OC2C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224556	1	53	0.0	-64.72	404.36	5.87	-58.85
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)OC2C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224556	1	53	0.0	-62.89	407.41	5.78	-57.11
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)OC2C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224556	1	53	0.0	-64.69	404.29	5.86	-58.83
CC1CN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC(C)(C)O1	REAL300020224557	1	46	0.0	-50.47	343.89	4.10	-46.37
CC1CN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC(C)(C)O1	REAL300020224557	1	46	0.0	-47.16	344.48	4.19	-42.97
BrC1=CC=C(OCCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224558	0	42	0.0	-49.39	352.76	7.36	-42.03
BrC1=CC=C(OCCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224558	1	42	0.0	-51.65	353.45	7.48	-44.17
BrC1=CC=C(OCCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224558	1	42	0.0	-49.34	352.70	7.36	-41.98
BrC1=CC=C(OCCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224558	1	42	0.0	-51.61	353.38	7.48	-44.13
CCOC(=O)C(CCC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224560	1	47	0.0	-47.02	369.36	8.76	-38.26
CCOC(=O)C(CCC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224560	1	47	0.0	-50.76	369.21	8.78	-41.98
CC(C)(C)OC(=O)N1CCCCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224561	0	55	0.0	-45.30	397.25	7.70	-37.60
CC(C)(C)OC(=O)N1CCCCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224561	1	55	0.0	-53.16	397.80	7.69	-45.47
CC(C)(C)OC(=O)N1CCCCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224561	1	55	0.0	-45.27	397.18	7.70	-37.57
CC(C)(C)OC(=O)N1CCCCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224561	1	55	0.0	-53.14	397.73	7.68	-45.46
FC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224562	0	36	0.0	-52.04	307.45	6.13	-45.91
FC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224562	1	36	0.0	-50.04	310.36	5.87	-44.17
O[C@@H](CCOCC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224563	0	46	0.0	-48.85	364.05	4.26	-44.59
O[C@@H](CCOCC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224563	1	46	0.0	-49.85	366.23	4.06	-45.79
CC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224564	0	35	0.0	-39.87	294.39	6.75	-33.12
CC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224564	1	35	0.0	-40.30	291.29	6.72	-33.58
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020224565	0	43	0.0	-50.38	342.42	7.11	-43.27
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020224565	1	43	0.0	-53.67	348.99	6.64	-47.03
CC1=C(C(C)(C)C)SC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224566	0	43	0.0	-41.90	336.33	5.72	-36.18
CC1=C(C(C)(C)C)SC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224566	1	43	0.0	-44.54	335.12	5.62	-38.92
O=[N+]([O-])C1=CC=C(Br)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224567	1	34	0.0	-50.06	303.43	6.89	-43.17
O=[N+]([O-])C1=CC=C(Br)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224567	1	34	0.0	-50.02	303.64	6.82	-43.20
COC(=O)C1=CC(Br)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020224568	1	42	0.0	-54.53	357.11	6.90	-47.63
COC(=O)C1=CC(Br)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020224568	1	42	0.0	-49.97	357.02	6.92	-43.05
CC(C)(C)OC(=O)N1C2CCC1CC(CC[N@@H+]1CCC(C3=NN=N[N-]3)C1)C2	REAL300020224569	0	59	0.0	-59.64	410.97	7.85	-51.79
CC(C)(C)OC(=O)N1C2CCC1CC(CC[N@H+]1CCC(C3=NN=N[N-]3)C1)C2	REAL300020224569	1	59	0.0	-55.72	425.22	8.29	-47.43
CC(C)(C)OC(=O)N1C2CCC1CC(CC[N@@H+]1CCC(C3=N[N-]N=N3)C1)C2	REAL300020224569	1	59	0.0	-59.60	410.89	7.85	-51.75
CC(C)(C)OC(=O)N1C2CCC1CC(CC[N@H+]1CCC(C3=N[N-]N=N3)C1)C2	REAL300020224569	1	59	0.0	-55.66	425.15	8.29	-47.37
CC(C)(C)OC(=O)N(CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020224570	0	52	0.0	-51.06	390.20	7.03	-44.03
CC(C)(C)OC(=O)N(CCC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020224570	1	52	0.0	-50.92	389.55	7.09	-43.83
CC(C)(C)OC(=O)N(CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020224570	1	52	0.0	-51.06	390.14	7.03	-44.03
CC(C)(C)OC(=O)N(CCC[N@H+]1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020224570	1	52	0.0	-50.88	389.48	7.08	-43.80
C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1C2CC3CC(C2)CC1C3	REAL300020224571	0	49	0.0	-48.56	335.36	8.12	-40.44
C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1C2CC3CC(C2)CC1C3	REAL300020224571	1	49	0.0	-48.57	335.40	8.12	-40.45
C(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1C2CC3CC(C2)CC1C3	REAL300020224571	1	49	0.0	-48.46	335.29	8.10	-40.36
C(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1C2CC3CC(C2)CC1C3	REAL300020224571	1	49	0.0	-48.56	335.33	8.11	-40.45
CC1(C)CC2=C(SC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C(C)(C)C1	REAL300020224572	0	50	0.0	-42.60	381.00	7.34	-35.26
CC1(C)CC2=C(SC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C(C)(C)C1	REAL300020224572	1	50	0.0	-41.90	378.61	7.28	-34.62
CC(C)(C)OC(=O)C1(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020224573	0	50	0.0	-47.68	370.40	7.88	-39.80
CC(C)(C)OC(=O)C1(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020224573	1	50	0.0	-48.16	370.09	7.82	-40.34
CC(C)(C)OC(=O)C1(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020224573	1	50	0.0	-47.65	370.34	7.86	-39.79
CC(C)(C)OC(=O)C1(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020224573	1	50	0.0	-48.14	370.02	7.82	-40.32
BrC1=CC=C(C=CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224574	0	36	0.0	-49.90	312.41	7.59	-42.31
BrC1=CC=C(C=CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224574	1	36	0.0	-50.38	311.01	7.62	-42.76
FC(F)(F)CN1C=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224575	1	35	0.0	-50.95	301.73	4.68	-46.27
FC(F)(F)CN1C=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224575	1	35	0.0	-46.25	301.53	4.69	-41.56
FC1=CC=C(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224576	0	36	0.0	-56.02	311.70	7.04	-48.98
FC1=CC=C(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224576	1	36	0.0	-52.33	310.95	6.95	-45.38
BrC1=CC=CC=C1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224577	0	35	0.0	-47.00	297.89	6.93	-40.07
BrC1=CC=CC=C1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224577	1	35	0.0	-45.60	297.18	6.91	-38.69
BrCC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020224578	0	44	0.0	-47.98	330.22	7.54	-40.44
BrCC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020224578	1	44	0.0	-46.22	322.76	7.23	-38.99
BrCC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020224578	1	44	0.0	-47.95	330.15	7.53	-40.42
BrCC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020224578	1	44	0.0	-46.19	322.69	7.23	-38.96
C(CCCCC1CC1)CCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224580	0	53	0.0	-44.28	402.15	10.37	-33.91
C(CCCCC1CC1)CCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224580	1	53	0.0	-45.96	402.88	10.50	-35.46
C(CCCCC1CC1)CCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224580	1	53	0.0	-44.25	402.09	10.36	-33.89
C(CCCCC1CC1)CCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224580	1	53	0.0	-45.90	402.81	10.50	-35.40
O=C1C2=CC=CC=C2C(=O)N1[C@H]1CO[C@H](C[N@@H+]2CCC(C3=NN=N[N-]3)C2)OC1	REAL300020224581	0	48	0.0	-46.02	380.47	5.10	-40.92
O=C1C2=CC=CC=C2C(=O)N1[C@H]1CO[C@H](C[N@H+]2CCC(C3=NN=N[N-]3)C2)OC1	REAL300020224581	1	48	0.0	-47.96	379.48	5.13	-42.83
CC(C)(C)OCC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224583	1	44	0.0	-42.41	355.58	4.45	-37.96
CC(C)(C)OCC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224583	1	44	0.0	-44.05	354.78	4.61	-39.44
C=CCC1=CC(C)=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020224584	0	52	0.0	-49.27	402.30	9.21	-40.06
C=CCC1=CC(C)=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020224584	1	52	0.0	-48.83	401.79	9.20	-39.63
C=CCC1=CC(C)=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020224584	1	52	0.0	-49.23	402.23	9.20	-40.03
C=CCC1=CC(C)=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020224584	1	52	0.0	-48.75	401.73	9.18	-39.57
CC(C)(C)OC(=O)C1(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CCOC1	REAL300020224585	0	51	0.0	-52.36	379.35	5.92	-46.44
CC(C)(C)OC(=O)C1(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)CCOC1	REAL300020224585	1	51	0.0	-45.67	378.58	5.81	-39.86
CC(C)(C)OC(=O)C1(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)CCOC1	REAL300020224585	1	51	0.0	-52.33	379.28	5.92	-46.41
CC(C)(C)OC(=O)C1(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)CCOC1	REAL300020224585	1	51	0.0	-45.62	378.52	5.79	-39.83
CC(C)(C)NS(=O)(=O)CCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224586	0	49	0.0	-57.02	377.24	-0.81	-57.83
CC(C)(C)NS(=O)(=O)CCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224586	1	49	0.0	-57.03	376.80	-0.85	-57.88
COC(=O)C1=CC(Cl)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224587	0	38	0.0	-51.70	329.97	6.70	-45.00
COC(=O)C1=CC(Cl)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224587	1	38	0.0	-50.60	327.02	6.72	-43.88
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224588	1	43	0.0	-65.02	342.73	1.29	-63.73
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224588	1	43	0.0	-54.66	341.00	1.32	-53.34
CC(C1=CC=CC(OC(F)(F)F)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224589	0	39	0.0	-46.17	318.66	5.99	-40.18
CC(C1=CC=CC(OC(F)(F)F)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224589	1	39	0.0	-49.57	319.97	5.99	-43.58
C(C1CCC2(CCCCCC2)O1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224590	0	49	0.0	-44.86	346.89	7.08	-37.78
C(C1CCC2(CCCCCC2)O1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224590	1	49	0.0	-43.91	343.59	7.24	-36.67
CCC(C1=CC=C(C(F)(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224591	0	41	0.0	-47.14	324.58	7.61	-39.53
CCC(C1=CC=C(C(F)(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224591	1	41	0.0	-46.67	331.36	7.79	-38.88
CCC(C1=CC=C(C(F)(F)F)C=C1)[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224591	1	41	0.0	-47.04	324.51	7.60	-39.44
CCC(C1=CC=C(C(F)(F)F)C=C1)[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224591	1	41	0.0	-46.58	331.30	7.78	-38.80
FC(F)(F)C1CCCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224592	0	39	0.0	-47.61	309.40	5.23	-42.38
FC(F)(F)C1CCCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224592	1	39	0.0	-47.16	311.45	4.98	-42.18
C1=CC(N2CCOCC2)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224593	0	45	0.0	-47.84	341.89	4.37	-43.47
C1=CC(N2CCOCC2)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224593	1	45	0.0	-47.68	341.73	4.37	-43.31
C(C1CC2(CC3(C2)OCCO3)CO1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224594	0	46	0.0	-45.74	346.70	3.77	-41.97
C(C1CC2(CC3(C2)OCCO3)CO1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224594	1	46	0.0	-45.14	346.50	3.79	-41.35
O=[N+]([O-])C1=CC=CC(Br)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224595	1	34	0.0	-40.37	292.44	6.61	-33.76
O=[N+]([O-])C1=CC=CC(Br)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224595	1	34	0.0	-40.26	290.91	6.69	-33.57
COC1=CC=C(F)C=C1C1=CN=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224596	0	45	0.0	-51.71	365.83	6.78	-44.93
COC1=CC=C(F)C=C1C1=CN=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224596	1	45	0.0	-50.27	365.07	6.84	-43.43
CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224599	0	51	0.0	-53.02	370.06	5.46	-47.56
CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224599	1	51	0.0	-52.09	370.84	5.43	-46.66
CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224599	1	51	0.0	-52.99	369.99	5.45	-47.54
CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224599	1	51	0.0	-52.10	370.77	5.41	-46.69
C[C@@H]1CN(CC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C[C@H](C)O1	REAL300020224600	0	48	0.0	-49.26	361.10	0.26	-49.00
C[C@@H]1CN(CC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C[C@H](C)O1	REAL300020224600	1	48	0.0	-49.42	355.46	0.39	-49.03
BrCC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCC1	REAL300020224601	0	38	0.0	-41.69	296.42	6.67	-35.02
BrCC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCC1	REAL300020224601	1	38	0.0	-40.74	296.96	6.78	-33.96
BrCC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1CCC1	REAL300020224601	1	38	0.0	-41.63	296.36	6.67	-34.96
BrCC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1CCC1	REAL300020224601	1	38	0.0	-40.69	296.89	6.78	-33.91
O=S1(=O)CCC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224604	0	42	0.0	-61.54	331.61	1.75	-59.79
O=S1(=O)CCC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224604	1	42	0.0	-61.12	333.31	1.46	-59.66
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(F)C=C1	REAL300020224605	0	43	0.0	-55.59	340.09	6.74	-48.85
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(F)C=C1	REAL300020224605	1	43	0.0	-55.70	340.02	6.74	-48.96
CSC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224606	0	36	0.0	-52.20	313.10	7.00	-45.20
CSC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224606	1	36	0.0	-52.19	313.30	7.02	-45.17
CCC1=CC=C([N+](=O)[O-])C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224608	0	40	0.0	-51.99	317.82	7.57	-44.42
CCC1=CC=C([N+](=O)[O-])C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224608	1	40	0.0	-51.49	321.16	7.59	-43.90
OC(CSC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224609	0	40	0.0	-51.64	329.85	4.40	-47.24
OC(CSC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224609	1	40	0.0	-52.04	329.69	4.46	-47.58
OC(CCC(O)C1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224611	0	46	0.0	-48.36	361.44	2.42	-45.94
OC(CCC(O)C1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224611	1	46	0.0	-50.01	361.03	2.43	-47.58
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCO[C@@H]2CCCC[C@@H]21	REAL300020224612	1	47	0.0	-46.90	345.02	4.57	-42.33
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCO[C@@H]2CCCC[C@@H]21	REAL300020224612	1	47	0.0	-46.80	345.21	4.58	-42.22
N#CC1=C2NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N2N=C1	REAL300020224614	0	36	0.0	-71.53	311.69	3.85	-67.68
N#CC1=C2NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N2N=C1	REAL300020224614	1	36	0.0	-69.27	307.24	4.08	-65.19
FC(F)COCC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224617	1	38	0.0	-46.40	334.25	3.62	-42.78
FC(F)COCC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224617	1	38	0.0	-48.24	333.51	3.78	-44.46
O=C1CCC2=CC=C(OCCCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2N1	REAL300020224618	0	50	0.0	-54.51	391.30	5.93	-48.58
O=C1CCC2=CC=C(OCCCC[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2N1	REAL300020224618	1	50	0.0	-56.66	391.73	5.96	-50.70
O=C1CCC2=CC=C(OCCCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)C=C2N1	REAL300020224618	1	50	0.0	-54.47	391.23	5.93	-48.54
O=C1CCC2=CC=C(OCCCC[N@H+]3CCC(C4=N[N-]N=N4)C3)C=C2N1	REAL300020224618	1	50	0.0	-56.63	391.67	5.95	-50.68
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=CC=CC=C3O2)S1	REAL300020224619	1	41	0.0	-47.08	353.51	6.82	-40.26
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=CC=CC=C3O2)S1	REAL300020224619	1	41	0.0	-51.03	351.77	7.16	-43.87
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020224620	0	41	0.0	-52.30	329.51	6.77	-45.53
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020224620	1	41	0.0	-52.94	327.98	6.81	-46.13
O=C(NCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020224622	0	47	0.0	-54.86	382.83	1.98	-52.88
O=C(NCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020224622	1	47	0.0	-55.41	379.56	2.31	-53.10
FC1=CC(Br)=CC=C1OCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224629	0	39	0.0	-52.22	337.65	6.67	-45.55
FC1=CC(Br)=CC=C1OCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224629	1	39	0.0	-52.26	336.95	6.73	-45.53
FC1=CC(Br)=CC=C1OCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224629	1	39	0.0	-52.20	337.58	6.66	-45.54
FC1=CC(Br)=CC=C1OCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224629	1	39	0.0	-52.22	336.88	6.72	-45.50
COC(=O)C1=CC=CN2C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=C12	REAL300020224631	1	41	0.0	-51.13	341.41	6.91	-44.22
COC(=O)C1=CC=CN2C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=C12	REAL300020224631	1	41	0.0	-51.04	341.28	7.01	-44.03
COC(=O)C1(C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020224632	0	45	0.0	-50.65	356.25	8.17	-42.48
COC(=O)C1(C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020224632	1	45	0.0	-51.58	356.09	8.14	-43.44
BrCC1(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300020224634	0	42	0.0	-45.70	323.26	7.41	-38.29
BrCC1(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300020224634	1	42	0.0	-45.95	324.70	7.46	-38.49
BrCC1(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300020224634	1	42	0.0	-45.69	323.19	7.39	-38.30
BrCC1(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300020224634	1	42	0.0	-45.92	324.63	7.44	-38.48
COC(=O)C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(Cl)S1	REAL300020224635	1	35	0.0	-47.51	319.65	5.93	-41.58
COC(=O)C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(Cl)S1	REAL300020224635	1	35	0.0	-50.38	320.12	5.92	-44.46
BrC1=CSC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224636	0	29	0.0	-45.23	270.47	5.32	-39.91
BrC1=CSC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224636	1	29	0.0	-45.52	268.28	5.35	-40.17
BrCC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCOCC1	REAL300020224637	0	42	0.0	-49.22	320.95	5.12	-44.10
BrCC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCOCC1	REAL300020224637	1	42	0.0	-45.75	316.63	4.85	-40.90
BrCC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1CCOCC1	REAL300020224637	1	42	0.0	-49.19	320.88	5.11	-44.08
BrCC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1CCOCC1	REAL300020224637	1	42	0.0	-45.71	316.57	4.83	-40.88
BrC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224639	1	32	0.0	-46.92	294.14	6.74	-40.18
BrC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224639	1	32	0.0	-48.25	296.91	6.77	-41.48
BrC1=CC=CC(Br)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224641	1	32	0.0	-38.12	288.12	6.54	-31.58
BrC1=CC=CC(Br)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224641	1	32	0.0	-37.40	288.40	6.44	-30.96
FC(F)(F)OC1=CC=CC(CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224643	0	42	0.0	-50.00	348.05	6.97	-43.03
FC(F)(F)OC1=CC=CC(CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224643	1	42	0.0	-50.81	347.49	6.97	-43.84
FC(F)(F)OC1=CC=CC(CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224643	1	42	0.0	-49.99	347.98	6.96	-43.03
FC(F)(F)OC1=CC=CC(CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224643	1	42	0.0	-50.77	347.43	6.95	-43.82
C1=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020224644	0	39	0.0	-53.94	310.92	4.20	-49.74
C1=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020224644	1	39	0.0	-55.61	313.40	3.95	-51.66
BrC1=CC=C2OCC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020224645	0	37	0.0	-53.45	307.81	5.80	-47.65
BrC1=CC=C2OCC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020224645	1	37	0.0	-52.43	311.49	6.12	-46.31
C1=C(C2=CC=C3C=CC=CC3=C2)ON=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224646	0	44	0.0	-46.39	360.67	8.94	-37.45
C1=C(C2=CC=C3C=CC=CC3=C2)ON=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224646	1	44	0.0	-49.35	358.88	9.09	-40.26
CC1=CC=CC(N2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020224647	0	46	0.0	-43.54	354.82	7.24	-36.30
CC1=CC=CC(N2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020224647	1	46	0.0	-54.85	353.66	7.28	-47.57
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(Cl)C(Cl)=C1	REAL300020224648	0	43	0.0	-46.26	365.82	7.63	-38.63
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(Cl)C(Cl)=C1	REAL300020224648	1	43	0.0	-57.82	364.17	7.59	-50.23
OC(CCC1=CC=NC2=CC=CC=C12)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224649	0	47	0.0	-55.33	370.79	5.11	-50.22
OC(CCC1=CC=NC2=CC=CC=C12)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224649	1	47	0.0	-55.19	370.93	5.07	-50.12
CC(C)(C)OC(=O)N1CCCC(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224650	0	56	0.0	-50.75	412.24	4.08	-46.67
CC(C)(C)OC(=O)N1CCCC(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224650	1	56	0.0	-48.96	406.63	4.53	-44.43
CC(C)(C)OC(=O)N1CC2(C1)CCOC2C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224651	0	54	0.0	-56.12	403.05	4.91	-51.21
CC(C)(C)OC(=O)N1CC2(C1)CCOC2C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224651	1	54	0.0	-54.61	405.16	4.78	-49.83
CC(C)(C)OC(=O)N1CC2(C1)CCOC2C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224651	1	54	0.0	-56.02	402.98	4.90	-51.12
CC(C)(C)OC(=O)N1CC2(C1)CCOC2C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224651	1	54	0.0	-54.62	405.09	4.77	-49.85
FC1=CC=C(Br)C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224653	0	35	0.0	-49.24	303.08	6.90	-42.34
FC1=CC=C(Br)C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224653	1	35	0.0	-49.36	302.06	6.95	-42.41
CC(C)(C)OC(=O)N1CCC2(CCCC2C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224654	0	62	0.0	-52.41	434.48	8.43	-43.98
CC(C)(C)OC(=O)N1CCC2(CCCC2C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224654	1	62	0.0	-54.72	435.22	8.46	-46.26
CC(C)(C)OC(=O)N1CCC2(CCCC2C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224654	1	62	0.0	-52.36	434.41	8.42	-43.94
CC(C)(C)OC(=O)N1CCC2(CCCC2C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224654	1	62	0.0	-54.62	435.15	8.45	-46.17
O=C1NC2=CC(F)=CC=C2C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224655	0	38	0.0	-57.34	315.41	4.69	-52.65
O=C1NC2=CC(F)=CC=C2C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224655	1	38	0.0	-46.28	310.32	4.64	-41.64
C(C1=NC2=C(CCCCC2)S1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224656	0	41	0.0	-43.82	325.77	5.95	-37.87
C(C1=NC2=C(CCCCC2)S1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224656	1	41	0.0	-44.93	324.32	5.89	-39.04
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020224657	0	46	0.0	-49.95	359.18	6.96	-42.99
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020224657	1	46	0.0	-51.05	357.99	7.13	-43.92
C1=CC=C(N2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NN=C2C2CC2)C=C1	REAL300020224658	1	45	0.0	-45.30	358.67	8.80	-36.50
C1=CC=C(N2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NN=C2C2CC2)C=C1	REAL300020224658	1	45	0.0	-44.26	366.75	9.28	-34.98
CCN1N=CC(Br)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224659	1	35	0.0	-43.86	294.94	4.51	-39.35
CCN1N=CC(Br)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224659	1	35	0.0	-47.10	296.13	4.54	-42.56
CC1=CC=CC(N2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020224661	0	43	0.0	-47.30	332.58	6.46	-40.84
CC1=CC=CC(N2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020224661	1	43	0.0	-48.05	332.51	6.49	-41.56
N#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224663	0	40	0.0	-58.06	334.59	4.99	-53.07
N#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224663	1	40	0.0	-63.22	335.34	5.11	-58.11
N#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224663	1	40	0.0	-58.06	334.52	4.99	-53.07
N#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224663	1	40	0.0	-63.20	335.27	5.11	-58.09
CC1CCC2=C(C1)SC(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020224665	0	41	0.0	-42.14	328.95	5.99	-36.15
CC1CCC2=C(C1)SC(C[N@H+]1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020224665	1	41	0.0	-45.10	327.82	5.94	-39.16
CC1(C)CCC2=C(C1)SC(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020224666	0	44	0.0	-43.33	344.32	6.31	-37.02
CC1(C)CCC2=C(C1)SC(C[N@H+]1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020224666	1	44	0.0	-44.74	342.52	6.22	-38.52
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(F)C(F)=C1	REAL300020224667	1	43	0.0	-47.93	346.63	6.77	-41.16
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(F)C(F)=C1	REAL300020224667	1	43	0.0	-59.79	344.98	6.74	-53.05
CC1=CC=CC=C1N1CCCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224668	0	46	0.0	-44.53	351.59	7.72	-36.81
CC1=CC=CC=C1N1CCCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224668	1	46	0.0	-55.21	350.94	7.70	-47.51
CC(C)(C)OC(=O)CCOCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224669	0	47	0.0	-46.66	361.50	5.86	-40.80
CC(C)(C)OC(=O)CCOCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224669	1	47	0.0	-47.47	364.16	5.68	-41.79
CC(C)(C)OC(=O)N1CCCC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224670	0	58	0.0	-50.59	418.75	8.32	-42.27
CC(C)(C)OC(=O)N1CCCC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224670	1	58	0.0	-51.49	418.20	8.37	-43.12
CC(C)(C)OC(=O)N1CCCC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224670	1	58	0.0	-50.60	418.68	8.31	-42.29
CC(C)(C)OC(=O)N1CCCC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224670	1	58	0.0	-51.46	418.13	8.36	-43.10
ClC1=CC=CC=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224672	1	38	0.0	-44.29	336.18	7.35	-36.94
ClC1=CC=CC=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224672	1	38	0.0	-46.09	333.52	7.57	-38.52
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300020224674	0	35	0.0	-46.93	292.76	5.32	-41.61
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300020224674	1	35	0.0	-47.58	294.36	5.37	-42.21
COC(=O)C1=NC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020224675	1	37	0.0	-62.51	311.34	4.35	-58.16
COC(=O)C1=NC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020224675	1	37	0.0	-59.69	310.60	4.36	-55.33
ClC1=CC=C(C2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020224679	0	38	0.0	-46.18	331.38	7.21	-38.97
ClC1=CC=C(C2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020224679	1	38	0.0	-49.02	329.65	7.36	-41.66
ClC1=CC=CC(Cl)=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224681	1	38	0.0	-42.44	346.65	7.56	-34.88
ClC1=CC=CC(Cl)=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224681	1	38	0.0	-44.87	346.78	7.75	-37.12
BrC1=CC=C2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020224682	0	36	0.0	-49.06	300.45	7.19	-41.87
BrC1=CC=C2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020224682	1	36	0.0	-43.34	300.29	7.12	-36.22
FC(F)(F)C1=CC=CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224684	0	38	0.0	-53.56	319.54	7.41	-46.15
FC(F)(F)C1=CC=CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224684	1	38	0.0	-54.55	318.18	7.44	-47.11
FC(F)(F)C1=CC=CC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224684	1	38	0.0	-53.52	319.47	7.40	-46.12
FC(F)(F)C1=CC=CC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224684	1	38	0.0	-54.53	318.11	7.42	-47.11
FC(F)(F)C1=CC=CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224687	0	38	0.0	-53.56	319.54	7.41	-46.15
FC(F)(F)C1=CC=CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224687	1	38	0.0	-54.55	318.18	7.44	-47.11
FC(F)(F)C1=CC=CC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224687	1	38	0.0	-53.52	319.47	7.40	-46.12
FC(F)(F)C1=CC=CC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224687	1	38	0.0	-54.53	318.11	7.42	-47.11
C1=C(C2=CC3=C(C=C2)OCCO3)ON=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224688	0	44	0.0	-48.82	359.13	5.84	-42.98
C1=C(C2=CC3=C(C=C2)OCCO3)ON=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224688	1	44	0.0	-52.00	359.13	5.97	-46.03
CC(=O)OC1=CC(C)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224690	0	41	0.0	-51.25	335.10	7.44	-43.81
CC(=O)OC1=CC(C)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224690	1	41	0.0	-51.49	333.39	7.44	-44.05
CC(C)(C)OC(=O)N1CCC12CC(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OC2=O	REAL300020224691	0	53	0.0	-58.14	408.00	5.96	-52.18
CC(C)(C)OC(=O)N1CCC12CC(C[N@H+]1CCC(C3=NN=N[N-]3)C1)OC2=O	REAL300020224691	1	53	0.0	-55.29	406.17	5.96	-49.33
COC(=O)C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020224695	0	51	0.0	-57.60	400.34	4.51	-53.09
COC(=O)C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020224695	1	51	0.0	-57.79	400.21	4.50	-53.29
COC(=O)C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020224695	1	51	0.0	-57.63	400.27	4.50	-53.13
COC(=O)C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020224695	1	51	0.0	-57.75	400.15	4.49	-53.26
N#CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020224696	0	39	0.0	-54.61	317.06	8.04	-46.57
N#CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020224696	1	39	0.0	-55.76	319.53	8.07	-47.69
CC(C)(C)OC(=O)N1CC(C2=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=CO2)C1	REAL300020224697	1	52	0.0	-53.99	410.17	3.38	-50.61
CC(C)(C)OC(=O)N1CC(C2=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=CO2)C1	REAL300020224697	1	52	0.0	-54.28	410.64	3.44	-50.84
CC(C)(C)OC(=O)N1CCC2(CCOC2C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224698	0	60	0.0	-48.15	427.09	6.33	-41.82
CC(C)(C)OC(=O)N1CCC2(CCOC2C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224698	1	60	0.0	-50.10	428.51	6.15	-43.95
CC(C)(C)OC(=O)N1CCC2(CCOC2C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224698	1	60	0.0	-48.15	427.02	6.32	-41.83
CC(C)(C)OC(=O)N1CCC2(CCOC2C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224698	1	60	0.0	-50.02	428.43	6.14	-43.88
O=C1CC2(CCOCC2)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224701	0	43	0.0	-52.85	318.62	4.15	-48.70
O=C1CC2(CCOCC2)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224701	1	43	0.0	-57.28	319.28	4.10	-53.18
O=C1CC2(CCOCC2)C(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)O1	REAL300020224701	1	43	0.0	-52.82	318.54	4.14	-48.68
O=C1CC2(CCOCC2)C(C[N@H+]2CCC(C3=N[N-]N=N3)C2)O1	REAL300020224701	1	43	0.0	-57.21	319.22	4.08	-53.13
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300020224704	0	44	0.0	-50.29	368.29	5.51	-44.78
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300020224704	1	44	0.0	-48.78	376.78	5.94	-42.84
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=CC=CC=C3C=C2)O1	REAL300020224705	0	47	0.0	-50.29	375.67	6.79	-43.50
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=CC=CC=C3C=C2)O1	REAL300020224705	1	47	0.0	-48.41	381.46	7.38	-41.03
FC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020224706	1	35	0.0	-52.20	303.22	6.62	-45.58
FC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020224706	1	35	0.0	-51.79	302.11	6.66	-45.13
BrC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224709	1	31	0.0	-52.24	273.38	4.30	-47.94
BrC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224709	1	31	0.0	-52.20	271.74	4.21	-47.99
COC(=O)C1=CC=C(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224711	0	42	0.0	-56.13	339.76	4.21	-51.92
COC(=O)C1=CC=C(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224711	1	42	0.0	-56.66	342.44	4.05	-52.61
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020224712	0	54	0.0	-67.09	407.72	5.36	-61.73
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020224712	1	54	0.0	-67.07	407.80	5.36	-61.71
COC(=O)CC1=CC=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224714	0	41	0.0	-41.35	324.90	7.11	-34.24
COC(=O)CC1=CC=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224714	1	41	0.0	-47.52	328.13	7.01	-40.51
O=[N+]([O-])C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020224715	1	36	0.0	-66.07	312.65	6.88	-59.19
O=[N+]([O-])C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020224715	1	36	0.0	-64.13	313.63	6.96	-57.17
CC(C)(C)OC(=O)CCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224716	0	49	0.0	-49.08	373.42	7.73	-41.35
CC(C)(C)OC(=O)CCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224716	1	49	0.0	-49.93	374.15	7.86	-42.07
CC(C)(C)OC(=O)CCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224716	1	49	0.0	-49.03	373.35	7.73	-41.30
CC(C)(C)OC(=O)CCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224716	1	49	0.0	-49.88	374.07	7.86	-42.02
FC(F)(F)OC1=CC=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224717	0	36	0.0	-42.06	296.70	5.60	-36.46
FC(F)(F)OC1=CC=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224717	1	36	0.0	-47.73	303.90	5.46	-42.27
CC1=CC=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224718	1	34	0.0	-39.54	291.10	4.92	-34.62
CC1=CC=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224718	1	34	0.0	-43.06	288.46	5.11	-37.95
C1=CC=C(C2OCC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020224720	0	41	0.0	-47.34	322.86	5.51	-41.83
C1=CC=C(C2OCC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020224720	1	41	0.0	-50.78	325.11	5.41	-45.37
IC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224721	0	32	0.0	-46.30	285.86	6.65	-39.65
IC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224721	1	32	0.0	-46.42	283.21	6.64	-39.78
BrC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224722	1	32	0.0	-46.44	291.89	6.68	-39.76
BrC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224722	1	32	0.0	-49.37	294.67	6.72	-42.65
FC(F)CC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224723	0	41	0.0	-53.96	325.76	7.69	-46.27
FC(F)CC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224723	1	41	0.0	-48.09	325.32	7.78	-40.31
FC(F)CC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224723	1	41	0.0	-53.93	325.69	7.67	-46.26
FC(F)CC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224723	1	41	0.0	-48.06	325.25	7.77	-40.29
CC1=CC=CC(C)=C1N(CN1C=CC=N1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224724	1	52	0.0	-44.10	407.84	9.67	-34.43
CC1=CC=CC(C)=C1N(CN1C=CC=N1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224724	1	52	0.0	-42.90	408.46	9.72	-33.18
OC(CCOCC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224728	0	46	0.0	-49.71	363.85	4.37	-45.34
OC(CCOCC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224728	1	46	0.0	-49.32	367.02	4.10	-45.22
FC1=CC=C(C2=CSC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224729	0	38	0.0	-48.58	329.43	6.47	-42.11
FC1=CC=C(C2=CSC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224729	1	38	0.0	-47.16	328.31	6.50	-40.66
CCOC(=O)C1=CC=C(F)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224730	0	41	0.0	-47.17	340.74	7.24	-39.93
CCOC(=O)C1=CC=C(F)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224730	1	41	0.0	-46.63	333.37	6.95	-39.68
CC1=CC(Cl)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224731	1	35	0.0	-44.78	311.14	7.29	-37.49
CC1=CC(Cl)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224731	1	35	0.0	-42.12	310.96	7.32	-34.80
CC1CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020224732	0	55	0.0	-48.68	398.00	7.48	-41.20
CC1CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020224732	1	55	0.0	-50.17	402.99	7.23	-42.94
CC1CC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020224732	1	55	0.0	-48.61	397.93	7.47	-41.14
CC1CC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020224732	1	55	0.0	-50.14	402.92	7.22	-42.92
CCC(C1=CC(Cl)=CC2=C1OCC2)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224733	0	43	0.0	-44.07	338.70	7.19	-36.88
CCC(C1=CC(Cl)=CC2=C1OCC2)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224733	1	43	0.0	-40.64	335.97	6.88	-33.76
C1=CC=C(COCCOCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224734	0	46	0.0	-44.04	366.51	6.22	-37.82
C1=CC=C(COCCOCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224734	1	46	0.0	-46.76	369.17	6.08	-40.68
FC(F)(F)C1CCCC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224735	0	44	0.0	-51.65	331.84	7.29	-44.36
FC(F)(F)C1CCCC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224735	1	44	0.0	-50.12	338.87	7.58	-42.54
FC(F)(F)C1CCCC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224735	1	44	0.0	-51.64	331.77	7.29	-44.35
FC(F)(F)C1CCCC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224735	1	44	0.0	-50.10	338.80	7.57	-42.53
FC1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224738	0	39	0.0	-52.10	336.95	6.71	-45.39
FC1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224738	1	39	0.0	-52.03	336.70	6.70	-45.33
FC1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020224738	1	39	0.0	-52.07	336.88	6.70	-45.37
FC1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020224738	1	39	0.0	-52.05	336.63	6.69	-45.36
CC1=CC(CC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020224744	0	42	0.0	-53.73	337.33	4.66	-49.07
CC1=CC(CC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020224744	1	42	0.0	-52.18	336.95	4.70	-47.48
FC(F)(F)C1CCCCC1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224745	0	41	0.0	-46.38	306.70	6.29	-40.09
FC(F)(F)C1CCCCC1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224745	1	41	0.0	-47.02	296.76	6.03	-40.99
FC(F)(F)C1CCCCC1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224745	1	41	0.0	-46.33	306.63	6.28	-40.05
FC(F)(F)C1CCCCC1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224745	1	41	0.0	-46.97	296.69	6.02	-40.95
FC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020224746	1	35	0.0	-54.51	303.02	6.63	-47.88
FC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020224746	1	35	0.0	-54.26	301.55	6.67	-47.59
FC(F)(F)C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224747	1	32	0.0	-49.82	289.04	5.71	-44.11
FC(F)(F)C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224747	1	32	0.0	-50.44	286.50	5.72	-44.72
FC(F)(F)C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020224748	0	32	0.0	-47.84	281.36	5.75	-42.09
FC(F)(F)C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020224748	1	32	0.0	-47.78	281.17	5.88	-41.90
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=NO1	REAL300020224749	1	31	0.0	-48.95	271.30	4.20	-44.75
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=NO1	REAL300020224749	1	31	0.0	-45.44	272.92	4.14	-41.30
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)NC2=C(Br)C=NN21	REAL300020224750	1	35	0.0	-68.38	312.06	3.98	-64.40
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)NC2=C(Br)C=NN21	REAL300020224750	1	35	0.0	-66.85	311.14	3.97	-62.88
CC1CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CN1C(=O)OC(C)(C)C	REAL300020224751	0	52	0.0	-56.39	387.24	6.45	-49.94
CC1CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CN1C(=O)OC(C)(C)C	REAL300020224751	1	52	0.0	-55.48	380.48	6.08	-49.40
CC1CC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CN1C(=O)OC(C)(C)C	REAL300020224751	1	52	0.0	-56.31	387.17	6.44	-49.87
CC1CC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CN1C(=O)OC(C)(C)C	REAL300020224751	1	52	0.0	-55.45	380.41	6.07	-49.38
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224754	0	44	0.0	-50.23	358.36	7.64	-42.59
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224754	1	44	0.0	-50.11	358.00	7.70	-42.41
COC(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224755	0	38	0.0	-49.62	322.67	6.65	-42.97
COC(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224755	1	38	0.0	-46.72	322.82	6.66	-40.06
C1=NC=C(C2=NC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=N1	REAL300020224756	0	38	0.0	-55.87	316.54	4.85	-51.02
C1=NC=C(C2=NC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=N1	REAL300020224756	1	38	0.0	-55.29	314.63	4.76	-50.53
CC(C)(C)OCCCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224757	0	53	0.0	-47.72	395.40	7.71	-40.01
CC(C)(C)OCCCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224757	1	53	0.0	-47.49	396.60	7.76	-39.73
CC(C)(C)OCCCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224757	1	53	0.0	-47.70	395.33	7.69	-40.01
CC(C)(C)OCCCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224757	1	53	0.0	-47.47	396.53	7.76	-39.71
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224758	0	52	0.0	-54.58	382.59	6.71	-47.87
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224758	1	52	0.0	-54.03	381.81	6.59	-47.44
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224758	1	52	0.0	-54.54	382.52	6.71	-47.83
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224758	1	52	0.0	-53.99	381.74	6.59	-47.40
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C(Br)C=C2O1	REAL300020224759	0	37	0.0	-60.65	323.91	7.61	-53.04
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C(Br)C=C2O1	REAL300020224759	1	37	0.0	-59.84	322.53	7.57	-52.27
CCOC(=O)C1=CC2=C(C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)S2)S1	REAL300020224760	0	41	0.0	-51.00	363.88	7.87	-43.13
CCOC(=O)C1=CC2=C(C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)S2)S1	REAL300020224760	1	41	0.0	-51.92	363.72	7.89	-44.03
CC1=CC(Br)=CC(C)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224761	0	38	0.0	-45.13	307.55	7.16	-37.97
CC1=CC(Br)=CC(C)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224761	1	38	0.0	-45.62	307.35	7.18	-38.44
CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224762	0	46	0.0	-57.87	353.64	5.01	-52.86
CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224762	1	46	0.0	-57.01	352.55	4.84	-52.17
CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224762	1	46	0.0	-57.86	353.57	4.99	-52.87
CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224762	1	46	0.0	-57.02	352.49	4.82	-52.20
C1=C(CC2=CC=CC=C2)ON=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224765	1	41	0.0	-45.36	338.02	7.55	-37.81
C1=C(CC2=CC=CC=C2)ON=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224765	1	41	0.0	-48.31	336.25	7.69	-40.62
FC(F)(F)C1=CSC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224766	0	32	0.0	-41.35	277.48	5.59	-35.76
FC(F)(F)C1=CSC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224766	1	32	0.0	-41.29	277.39	5.63	-35.66
CC(O)(CC1=CC=CC(F)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224767	0	42	0.0	-52.67	326.86	4.86	-47.81
CC(O)(CC1=CC=CC(F)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224767	1	42	0.0	-52.22	323.44	5.10	-47.12
CC(O)(CC1=CC=CC(F)=C1)C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224767	1	42	0.0	-52.63	326.79	4.85	-47.78
CC(O)(CC1=CC=CC(F)=C1)C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224767	1	42	0.0	-52.21	323.37	5.09	-47.12
CC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020224769	1	34	0.0	-51.74	293.20	4.81	-46.93
CC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020224769	1	34	0.0	-51.87	290.01	4.78	-47.09
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020224770	0	40	0.0	-53.09	326.40	5.02	-48.07
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020224770	1	40	0.0	-51.60	325.68	5.09	-46.51
FC(F)(F)[C@@H]1CC=CC[C@H]1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224772	0	39	0.0	-48.72	303.76	6.55	-42.17
FC(F)(F)[C@@H]1CC=CC[C@H]1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224772	1	39	0.0	-48.07	297.64	6.25	-41.82
FC(F)(F)[C@@H]1CC=CC[C@H]1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224772	1	39	0.0	-48.67	303.69	6.55	-42.12
FC(F)(F)[C@@H]1CC=CC[C@H]1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224772	1	39	0.0	-48.06	297.57	6.24	-41.82
C1=CC=C(CC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020224773	0	45	0.0	-46.29	360.06	10.08	-36.21
C1=CC=C(CC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020224773	1	45	0.0	-46.30	360.02	10.08	-36.22
COC1=CC=C(F)C=C1C(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224774	0	40	0.0	-46.71	321.13	2.80	-43.91
COC1=CC=C(F)C=C1C(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224774	1	40	0.0	-48.09	318.01	3.18	-44.91
CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2CCC(C3=NN=N[N-]3)C2)[C@H](O)C2=CC=CC=C21	REAL300020224775	0	54	0.0	-54.42	399.60	5.17	-49.25
CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2CCC(C3=NN=N[N-]3)C2)[C@H](O)C2=CC=CC=C21	REAL300020224775	1	54	0.0	-53.58	399.71	5.17	-48.41
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCC2=CC=CC=C21	REAL300020224776	0	46	0.0	-46.34	339.11	5.28	-41.06
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCC2=CC=CC=C21	REAL300020224776	1	46	0.0	-50.85	341.34	5.50	-45.35
OC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1CCCC2=CC=CC=C21	REAL300020224776	1	46	0.0	-46.33	339.04	5.26	-41.07
OC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1CCCC2=CC=CC=C21	REAL300020224776	1	46	0.0	-50.77	341.27	5.48	-45.29
CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224777	0	53	0.0	-49.55	379.45	3.31	-46.24
CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224777	1	53	0.0	-42.79	379.15	3.25	-39.54
COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC(C3=NN=N[N-]3)C2)C(=O)N1CC1=CC=CC=C1	REAL300020224779	1	49	0.0	-50.80	393.18	7.25	-43.55
COC(=O)[C@@H]1C[C@H]([N@H+]2CCC(C3=NN=N[N-]3)C2)C(=O)N1CC1=CC=CC=C1	REAL300020224779	1	49	0.0	-60.54	392.59	7.20	-53.34
FC(F)C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224780	0	41	0.0	-48.65	327.12	7.73	-40.92
FC(F)C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224780	1	41	0.0	-53.61	324.66	7.64	-45.97
FC(F)C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224780	1	41	0.0	-48.63	327.05	7.73	-40.90
FC(F)C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224780	1	41	0.0	-53.56	324.59	7.63	-45.93
C1=CN(CC2=CC=CC=C2)N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224781	1	42	0.0	-47.33	343.75	7.18	-40.15
C1=CN(CC2=CC=CC=C2)N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224781	1	42	0.0	-43.39	343.56	7.19	-36.20
O=C(OCC1=CC=CC=C1)N1C[C@@H](O)[C@H]([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224782	0	48	0.0	-54.31	387.24	3.63	-50.68
O=C(OCC1=CC=CC=C1)N1C[C@@H](O)[C@H]([N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224782	1	48	0.0	-52.76	384.44	3.69	-49.07
CC(C)(C)OC(=O)NCCOCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224784	0	49	0.0	-49.00	377.54	2.82	-46.18
CC(C)(C)OC(=O)NCCOCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224784	1	49	0.0	-50.63	380.23	2.67	-47.96
CC(C)(C)OC(=O)N[C@H]1C[C@H](C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224785	0	49	0.0	-53.19	370.51	4.43	-48.76
CC(C)(C)OC(=O)N[C@H]1C[C@H](C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224785	1	49	0.0	-53.10	371.00	4.47	-48.63
CC(C)(C)OC(=O)N[C@H]1C[C@H](C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224785	1	49	0.0	-53.11	370.44	4.41	-48.70
CC(C)(C)OC(=O)N[C@H]1C[C@H](C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224785	1	49	0.0	-53.09	370.93	4.47	-48.62
COC1=CC=C(C2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1F	REAL300020224786	0	46	0.0	-49.94	354.54	7.35	-42.59
COC1=CC=C(C2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1F	REAL300020224786	1	46	0.0	-52.94	354.36	7.38	-45.56
COC1=CC=C(C2CCC([N@@H+]3CCC(C4=N[N-]N=N4)C3)C2)C=C1F	REAL300020224786	1	46	0.0	-49.88	354.47	7.33	-42.55
COC1=CC=C(C2CCC([N@H+]3CCC(C4=N[N-]N=N4)C3)C2)C=C1F	REAL300020224786	1	46	0.0	-52.94	354.29	7.37	-45.57
CC(=O)NCC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224789	0	42	0.0	-53.02	339.44	4.63	-48.39
CC(=O)NCC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224789	1	42	0.0	-53.66	339.63	4.56	-49.10
ClC1=CC(Br)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224790	1	32	0.0	-48.11	296.49	6.68	-41.43
ClC1=CC(Br)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224790	1	32	0.0	-49.93	294.19	6.67	-43.26
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2C)O1	REAL300020224791	0	44	0.0	-47.29	354.09	5.33	-41.96
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2C)O1	REAL300020224791	1	44	0.0	-47.44	354.29	5.54	-41.90
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=C(Cl)C=C2)O1	REAL300020224792	0	41	0.0	-46.71	352.25	5.35	-41.36
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=C(Cl)C=C2)O1	REAL300020224792	1	41	0.0	-44.98	353.56	5.35	-39.63
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224793	0	49	0.0	-51.45	370.72	4.29	-47.16
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224793	1	49	0.0	-52.29	373.23	4.49	-47.80
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224793	1	49	0.0	-51.43	370.65	4.29	-47.14
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224793	1	49	0.0	-52.26	373.16	4.49	-47.77
CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)OCC12CCC2	REAL300020224794	0	57	0.0	-48.74	412.61	5.93	-42.81
CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)OCC12CCC2	REAL300020224794	1	57	0.0	-50.31	411.42	6.15	-44.16
FC(F)(F)C1=CC=C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224795	0	38	0.0	-54.04	319.20	7.40	-46.64
FC(F)(F)C1=CC=C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224795	1	38	0.0	-52.12	318.72	7.36	-44.76
FC(F)(F)C1=CC=C(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224795	1	38	0.0	-54.02	319.13	7.38	-46.64
FC(F)(F)C1=CC=C(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224795	1	38	0.0	-52.05	318.65	7.36	-44.69
OC(COC1=CC=CC2=CC=CC=C21)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224796	0	46	0.0	-53.14	364.79	5.32	-47.82
OC(COC1=CC=CC2=CC=CC=C21)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224796	1	46	0.0	-53.45	364.90	5.32	-48.13
CC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=N1	REAL300020224797	0	38	0.0	-46.14	313.20	2.98	-43.16
CC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=N1	REAL300020224797	1	38	0.0	-45.14	311.62	2.91	-42.23
C(C1CCC2(CCCCCCC2)O1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224798	0	52	0.0	-44.52	355.22	7.76	-36.76
C(C1CCC2(CCCCCCC2)O1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224798	1	52	0.0	-45.87	355.99	7.70	-38.17
COC(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224799	0	38	0.0	-50.34	319.86	6.58	-43.76
COC(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224799	1	38	0.0	-47.51	320.02	6.59	-40.92
COC1=NC2=CC=CC=C2C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224800	0	41	0.0	-51.52	330.59	4.63	-46.89
COC1=NC2=CC=CC=C2C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224800	1	41	0.0	-45.67	328.37	4.63	-41.04
COC(=O)C1=CC=C2C(=C1)N=C(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)N2C	REAL300020224801	1	44	0.0	-56.87	361.60	6.53	-50.34
COC(=O)C1=CC=C2C(=C1)N=C(C[N@H+]1CCC(C3=NN=N[N-]3)C1)N2C	REAL300020224801	1	44	0.0	-59.92	354.61	6.19	-53.73
CCOC(=O)C1=CC=C2C(=C1)N=C(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)N2CC	REAL300020224802	1	50	0.0	-54.08	401.00	8.43	-45.65
CCOC(=O)C1=CC=C2C(=C1)N=C(C[N@H+]1CCC(C3=NN=N[N-]3)C1)N2CC	REAL300020224802	1	50	0.0	-55.26	405.06	8.43	-46.83
O=[N+]([O-])C1=CC=CC(Br)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224803	1	34	0.0	-40.37	292.44	6.61	-33.76
O=[N+]([O-])C1=CC=CC(Br)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224803	1	34	0.0	-40.26	290.91	6.69	-33.57
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=C(F)C=C2)O1	REAL300020224804	0	41	0.0	-47.11	341.93	4.89	-42.22
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=C(F)C=C2)O1	REAL300020224804	1	41	0.0	-45.44	343.24	4.90	-40.54
CCC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C(C)O2)C=C1	REAL300020224805	0	47	0.0	-45.70	378.41	6.27	-39.43
CCC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C(C)O2)C=C1	REAL300020224805	1	47	0.0	-44.20	379.73	6.27	-37.93
CCCCSC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224806	0	45	0.0	-45.02	362.74	9.00	-36.02
CCCCSC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224806	1	45	0.0	-45.06	360.11	8.98	-36.08
CC1=CC(C(F)(F)F)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224807	0	38	0.0	-50.34	313.01	7.21	-43.13
CC1=CC(C(F)(F)F)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224807	1	38	0.0	-50.10	311.63	7.24	-42.86
COCCCC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224808	0	45	0.0	-46.94	354.19	6.80	-40.14
COCCCC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224808	1	45	0.0	-46.39	353.47	6.83	-39.56
FC1=CC=C(C2=CC=CC(F)=C2F)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224809	0	42	0.0	-52.82	355.21	9.41	-43.41
FC1=CC=C(C2=CC=CC(F)=C2F)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224809	1	42	0.0	-47.29	353.77	9.40	-37.89
CN1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=N1	REAL300020224810	1	35	0.0	-47.62	298.02	4.55	-43.07
CN1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=N1	REAL300020224810	1	35	0.0	-51.94	296.04	4.43	-47.51
BrC1(Br)CC1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224811	0	29	0.0	-48.25	271.91	5.40	-42.85
BrC1(Br)CC1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224811	1	29	0.0	-49.03	273.01	5.45	-43.58
FC(F)(F)C1=CSC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224812	0	32	0.0	-47.37	288.92	5.72	-41.65
FC(F)(F)C1=CSC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224812	1	32	0.0	-48.43	288.01	5.77	-42.66
ClC1=CC=CC(C2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)=C1	REAL300020224813	0	38	0.0	-45.18	331.36	7.19	-37.99
ClC1=CC=CC(C2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)=C1	REAL300020224813	1	38	0.0	-47.43	329.57	7.34	-40.09
FC1=CC=C(C2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020224814	0	38	0.0	-46.73	321.06	6.75	-39.98
FC1=CC=C(C2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020224814	1	38	0.0	-49.67	319.33	6.90	-42.77
FC1=CC=CC=C1C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020224815	0	38	0.0	-47.23	322.68	6.80	-40.43
FC1=CC=CC=C1C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020224815	1	38	0.0	-48.69	321.93	6.86	-41.83
BrC1=NC=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224816	1	31	0.0	-43.28	270.83	4.33	-38.95
BrC1=NC=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224816	1	31	0.0	-50.59	270.47	4.29	-46.30
CC1=NC=C([N+](=O)[O-])N1CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224817	0	41	0.0	-57.46	330.69	4.92	-52.54
CC1=NC=C([N+](=O)[O-])N1CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224817	1	41	0.0	-56.77	329.09	4.61	-52.16
BrC1=CC=C(C2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224819	0	42	0.0	-48.13	353.49	9.57	-38.56
BrC1=CC=C(C2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224819	1	42	0.0	-48.88	352.67	9.64	-39.24
BrC1=CC=C(C2=CC=CC(C[N@@H+]3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020224819	1	42	0.0	-48.08	353.41	9.55	-38.53
BrC1=CC=C(C2=CC=CC(C[N@H+]3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020224819	1	42	0.0	-48.89	352.59	9.64	-39.25
CN1C2=C(C(=O)N(C)C1=O)N(CCC[N@@H+]1CCC(C3=NN=N[N-]3)C1)C=N2	REAL300020224820	0	47	0.0	-56.49	375.64	7.01	-49.48
CN1C2=C(C(=O)N(C)C1=O)N(CCC[N@H+]1CCC(C3=NN=N[N-]3)C1)C=N2	REAL300020224820	1	47	0.0	-61.65	375.33	7.04	-54.61
CN1C2=C(C(=O)N(C)C1=O)N(CCC[N@@H+]1CCC(C3=N[N-]N=N3)C1)C=N2	REAL300020224820	1	47	0.0	-56.44	375.57	7.00	-49.44
CN1C2=C(C(=O)N(C)C1=O)N(CCC[N@H+]1CCC(C3=N[N-]N=N3)C1)C=N2	REAL300020224820	1	47	0.0	-61.66	375.26	7.03	-54.63
CC(C)(C)OC(=O)N1CCC2(CCC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)O2)CC1	REAL300020224821	0	60	0.0	-51.39	436.29	7.30	-44.09
CC(C)(C)OC(=O)N1CCC2(CCC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)O2)CC1	REAL300020224821	1	60	0.0	-49.46	436.31	7.31	-42.15
CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224822	0	56	0.0	-50.88	416.64	5.92	-44.96
CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224822	1	56	0.0	-55.66	415.69	5.90	-49.76
CC(C)(C)OC(=O)NC1CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224823	0	49	0.0	-53.20	370.71	4.44	-48.76
CC(C)(C)OC(=O)NC1CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224823	1	49	0.0	-51.47	370.94	4.33	-47.14
CC(C)(C)OC(=O)NC1CC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224823	1	49	0.0	-53.09	370.64	4.44	-48.65
CC(C)(C)OC(=O)NC1CC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224823	1	49	0.0	-51.39	370.88	4.32	-47.07
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C)CC1	REAL300020225059	0	59	0.0	-68.92	437.70	7.43	-61.49
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C)CC1	REAL300020225059	1	59	0.0	-68.92	437.76	7.45	-61.47
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C)CC1	REAL300020225060	0	56	0.0	-73.28	422.41	6.50	-66.78
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C)CC1	REAL300020225060	1	56	0.0	-73.27	422.47	6.52	-66.75
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C)CC1	REAL300020225061	0	56	0.0	-70.82	423.79	6.56	-64.26
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C)CC1	REAL300020225061	1	56	0.0	-70.83	423.87	6.57	-64.26
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225272	0	57	0.0	-69.58	425.70	7.46	-62.12
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225272	1	57	0.0	-69.59	425.76	7.47	-62.12
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225273	0	54	0.0	-81.24	411.10	6.53	-74.71
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225273	1	54	0.0	-81.21	411.15	6.56	-74.65
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225274	0	54	0.0	-69.87	411.63	6.61	-63.26
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225274	1	54	0.0	-69.86	411.71	6.62	-63.24
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225403	0	56	0.0	-70.47	412.52	6.18	-64.29
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225403	1	56	0.0	-70.45	412.57	6.20	-64.25
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225404	0	53	0.0	-77.82	398.26	5.30	-72.52
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225404	1	53	0.0	-77.86	398.32	5.33	-72.53
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225405	0	53	0.0	-69.86	399.79	5.36	-64.50
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225405	1	53	0.0	-69.88	399.87	5.37	-64.51
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225406	0	59	0.0	-68.84	422.23	7.20	-61.64
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225406	1	59	0.0	-68.85	422.29	7.20	-61.65
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C(C)=C2)CC1	REAL300020225424	0	59	0.0	-68.15	430.84	6.91	-61.24
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C(C)=C2)CC1	REAL300020225424	1	59	0.0	-68.13	430.90	6.92	-61.21
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C(C)=C2)CC1	REAL300020225425	0	56	0.0	-76.58	416.17	5.98	-70.60
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C(C)=C2)CC1	REAL300020225425	1	56	0.0	-76.58	416.23	6.00	-70.58
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C(C)=C2)CC1	REAL300020225426	0	56	0.0	-68.42	417.03	6.00	-62.42
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C(C)=C2)CC1	REAL300020225426	1	56	0.0	-68.42	417.11	6.01	-62.41
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CC1	REAL300020225670	0	56	0.0	-68.29	413.45	6.00	-62.29
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL300020225670	1	56	0.0	-68.30	413.51	6.02	-62.28
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020225671	0	53	0.0	-76.42	398.00	5.09	-71.33
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020225671	1	53	0.0	-76.41	398.05	5.10	-71.31
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020225672	0	53	0.0	-71.44	400.03	5.18	-66.26
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020225672	1	53	0.0	-71.37	400.10	5.18	-66.19
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1	REAL300020225673	0	59	0.0	-66.96	421.46	6.90	-60.06
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1	REAL300020225673	1	59	0.0	-66.89	421.51	6.90	-59.99
C[N@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300020225740	0	60	0.0	-67.33	434.40	9.48	-57.85
C[N@@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300020225740	1	60	0.0	-68.75	434.57	9.59	-59.16
C[N@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020225740	1	60	0.0	-67.31	434.46	9.50	-57.81
C[N@@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020225740	1	60	0.0	-68.77	434.63	9.60	-59.17
C[N@H+](CC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCCC1	REAL300020225741	0	57	0.0	-68.10	419.73	8.55	-59.55
C[N@@H+](CC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCCC1	REAL300020225741	1	57	0.0	-76.25	416.39	8.70	-67.55
C[N@H+](CC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCCC1	REAL300020225741	1	57	0.0	-68.07	419.79	8.55	-59.52
C[N@@H+](CC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCCC1	REAL300020225741	1	57	0.0	-76.27	416.45	8.71	-67.56
C[N@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020225742	0	57	0.0	-70.32	419.96	8.69	-61.63
C[N@@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020225742	1	57	0.0	-65.95	412.10	8.82	-57.13
C[N@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020225742	1	57	0.0	-70.31	420.04	8.71	-61.60
C[N@@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020225742	1	57	0.0	-65.91	412.17	8.83	-57.08
C[NH+]1CCN(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020225783	0	53	0.0	-67.53	418.06	6.39	-61.14
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020225784	0	53	0.0	-68.35	397.55	6.01	-62.34
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020225784	1	53	0.0	-68.34	397.61	6.03	-62.31
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300020225785	0	50	0.0	-84.81	383.67	5.00	-79.81
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300020225785	1	50	0.0	-84.83	383.73	5.02	-79.81
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300020225786	0	53	0.0	-68.57	427.22	4.95	-63.62
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300020225786	1	53	0.0	-68.62	427.28	4.96	-63.66
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020225787	0	50	0.0	-73.27	384.23	5.09	-68.18
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020225787	1	50	0.0	-73.32	384.30	5.11	-68.21
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020225788	0	56	0.0	-52.19	413.02	6.22	-45.97
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020225788	1	56	0.0	-52.15	413.07	6.23	-45.92
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1N1CC[NH+](C)CC1	REAL300020226014	0	56	0.0	-67.81	418.64	6.79	-61.02
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1N1CC[NH+](C)CC1	REAL300020226014	1	56	0.0	-67.79	418.69	6.80	-60.99
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1N1CC[NH+](C)CC1	REAL300020226015	0	53	0.0	-75.80	404.41	5.86	-69.94
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1N1CC[NH+](C)CC1	REAL300020226015	1	53	0.0	-75.80	404.47	5.88	-69.92
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1CC[NH+](C)CC1	REAL300020226016	0	53	0.0	-68.72	405.76	5.91	-62.81
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CC[NH+](C)CC1	REAL300020226016	1	53	0.0	-68.68	405.84	5.92	-62.76
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N1CC[NH+](C)CC1	REAL300020226017	0	59	0.0	-63.99	434.45	6.93	-57.06
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N1CC[NH+](C)CC1	REAL300020226017	1	59	0.0	-63.96	434.48	6.95	-57.01
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227104	0	51	0.0	-64.89	411.53	6.44	-58.45
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227104	1	51	0.0	-64.88	411.47	6.42	-58.46
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227105	0	51	0.0	-69.22	391.00	5.91	-63.31
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227105	1	51	0.0	-69.23	391.06	5.92	-63.31
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227106	0	48	0.0	-68.43	376.68	5.08	-63.35
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227106	1	48	0.0	-68.41	376.74	5.10	-63.31
CSCC[C@H](NC(=O)NC1=CC=CC(OCC[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300020227107	0	51	0.0	-63.46	420.52	5.00	-58.46
CSCC[C@H](NC(=O)NC1=CC=CC(OCC[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300020227107	1	51	0.0	-63.44	420.58	5.01	-58.43
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227108	0	48	0.0	-63.74	378.38	5.09	-58.65
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227108	1	48	0.0	-63.74	378.46	5.11	-58.63
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227109	0	54	0.0	-58.03	406.76	6.15	-51.88
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227109	1	54	0.0	-57.96	406.82	6.17	-51.79
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227691	0	57	0.0	-68.70	425.35	8.96	-59.74
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227691	1	57	0.0	-68.70	425.41	8.98	-59.72
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227692	0	54	0.0	-75.92	411.23	8.01	-67.91
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227692	1	54	0.0	-75.88	411.29	8.02	-67.86
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227693	0	54	0.0	-70.00	412.61	8.04	-61.96
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227693	1	54	0.0	-70.01	412.69	8.06	-61.95
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227694	0	60	0.0	-63.08	434.52	9.83	-53.25
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227694	1	60	0.0	-63.07	434.57	9.84	-53.23
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227706	1	55	0.0	-71.82	417.65	6.51	-65.31
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227706	1	55	0.0	-71.81	417.71	6.52	-65.29
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227707	1	52	0.0	-78.76	402.50	5.56	-73.20
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227707	1	52	0.0	-78.79	402.56	5.58	-73.21
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227708	1	52	0.0	-72.92	403.91	5.62	-67.30
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227708	1	52	0.0	-72.97	403.98	5.63	-67.34
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227709	1	58	0.0	-69.53	426.47	7.50	-62.03
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227709	1	58	0.0	-69.51	426.52	7.50	-62.01
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228119	1	55	0.0	-73.11	421.38	4.09	-69.02
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228119	1	55	0.0	-66.39	417.19	3.67	-62.72
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228120	1	52	0.0	-81.80	406.11	3.15	-78.65
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228120	1	52	0.0	-78.63	400.77	2.71	-75.92
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228121	1	52	0.0	-74.73	410.18	3.31	-71.42
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228121	1	52	0.0	-70.00	402.06	2.75	-67.25
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228286	1	52	0.0	-71.44	397.31	8.16	-63.28
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228286	1	52	0.0	-71.45	397.36	8.17	-63.28
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)N1CCCC1C1=N[N-]N=N1	REAL300020228287	1	49	0.0	-74.16	383.13	7.40	-66.76
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)N1CCCC1C1=NN=N[N-]1	REAL300020228287	1	49	0.0	-74.20	383.19	7.43	-66.77
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228288	1	49	0.0	-73.75	384.44	7.38	-66.37
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228288	1	49	0.0	-73.79	384.52	7.39	-66.40
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228301	0	52	0.0	-80.93	410.13	7.74	-73.19
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228301	1	52	0.0	-80.95	410.19	7.76	-73.19
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228302	0	52	0.0	-75.30	411.54	7.80	-67.50
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228302	1	52	0.0	-75.31	411.61	7.81	-67.50
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020228409	1	55	0.0	-92.69	417.42	5.77	-86.92
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020228409	1	55	0.0	-92.71	417.48	5.79	-86.92
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020228410	1	55	0.0	-82.38	418.98	5.82	-76.56
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020228410	1	55	0.0	-82.41	419.05	5.82	-76.59
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229125	0	57	0.0	-65.67	426.86	7.31	-58.36
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229125	1	57	0.0	-65.72	426.92	7.33	-58.39
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229126	0	54	0.0	-77.02	411.88	6.43	-70.59
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229126	1	54	0.0	-77.05	411.93	6.45	-70.60
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229127	0	54	0.0	-65.75	409.08	6.17	-59.58
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229127	1	54	0.0	-65.74	409.16	6.17	-59.57
CC(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)[NH+]1CCOCC1	REAL300020229192	1	55	0.0	-67.93	410.52	6.28	-61.65
CC(C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)[NH+]1CCOCC1	REAL300020229193	1	52	0.0	-75.94	394.68	5.40	-70.54
CC(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)[NH+]1CCOCC1	REAL300020229194	1	52	0.0	-68.05	396.44	5.43	-62.62
CC(C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)[NH+]1CCOCC1	REAL300020229195	1	58	0.0	-53.39	422.83	6.46	-46.93
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229298	0	54	0.0	-80.48	434.07	7.05	-73.43
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229298	1	54	0.0	-80.44	434.13	7.08	-73.36
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229299	0	54	0.0	-69.14	413.42	6.64	-62.50
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229299	1	54	0.0	-69.21	413.48	6.65	-62.56
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229300	0	51	0.0	-83.24	399.29	5.72	-77.52
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229300	1	51	0.0	-83.26	399.35	5.74	-77.52
CSCC[C@H](NC(=O)NC1=CC=C(OCCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300020229301	0	54	0.0	-70.26	443.10	5.66	-64.60
CSCC[C@H](NC(=O)NC1=CC=C(OCCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300020229301	1	54	0.0	-70.22	443.16	5.67	-64.55
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229302	0	51	0.0	-69.28	400.99	5.76	-63.52
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229302	1	51	0.0	-69.28	401.06	5.77	-63.51
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229303	0	57	0.0	-68.64	422.87	7.52	-61.12
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229303	1	57	0.0	-68.61	422.92	7.53	-61.08
C[NH+](C)CCN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020229522	0	47	0.0	-71.65	384.61	5.70	-65.95
C[NH+](C)CCN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020229522	1	47	0.0	-71.62	384.56	5.68	-65.94
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020229523	0	47	0.0	-73.29	365.45	5.21	-68.08
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020229523	1	47	0.0	-73.34	365.40	5.20	-68.14
C[NH+](C)CCN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020229524	0	44	0.0	-79.65	349.97	4.29	-75.36
C[NH+](C)CCN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020229524	1	44	0.0	-79.66	349.92	4.28	-75.38
CSCC[C@H](NC(=O)NC1=NN(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300020229525	0	47	0.0	-72.93	393.59	4.28	-68.65
CSCC[C@H](NC(=O)NC1=NN(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300020229525	1	47	0.0	-72.91	393.53	4.26	-68.65
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020229526	0	44	0.0	-73.03	351.47	4.34	-68.69
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020229526	1	44	0.0	-72.99	351.40	4.33	-68.66
C[NH+](C)CCN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020229527	0	50	0.0	-71.83	373.41	6.11	-65.72
C[NH+](C)CCN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020229527	1	50	0.0	-71.80	373.37	6.10	-65.70
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OCC[NH+](C)C)=C1	REAL300020230082	0	54	0.0	-65.91	430.76	7.24	-58.67
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OCC[NH+](C)C)=C1	REAL300020230082	1	54	0.0	-65.97	430.81	7.27	-58.70
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OCC[NH+](C)C)=C1	REAL300020230083	0	54	0.0	-71.07	411.90	6.78	-64.29
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OCC[NH+](C)C)=C1	REAL300020230083	1	54	0.0	-71.09	411.96	6.80	-64.29
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OCC[NH+](C)C)=C1	REAL300020230084	0	51	0.0	-78.58	396.64	5.84	-72.74
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OCC[NH+](C)C)=C1	REAL300020230084	1	51	0.0	-78.56	396.70	5.87	-72.69
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1OCC[NH+](C)C)C1=N[N-]N=N1	REAL300020230085	0	54	0.0	-74.80	440.17	5.80	-69.00
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1OCC[NH+](C)C)C1=NN=N[N-]1	REAL300020230085	1	54	0.0	-74.77	440.23	5.82	-68.95
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCC[NH+](C)C)=C1	REAL300020230086	0	51	0.0	-69.30	398.81	5.89	-63.41
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCC[NH+](C)C)=C1	REAL300020230086	1	51	0.0	-69.26	398.89	5.90	-63.36
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OCC[NH+](C)C)=C1	REAL300020230087	0	57	0.0	-74.70	420.45	7.75	-66.95
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OCC[NH+](C)C)=C1	REAL300020230087	1	57	0.0	-74.69	420.50	7.75	-66.94
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230188	0	51	0.0	-99.43	412.23	3.72	-95.71
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230189	0	51	0.0	-86.53	394.56	3.22	-83.31
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230189	1	51	0.0	-86.62	394.62	3.23	-83.39
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230190	0	48	0.0	-101.69	378.72	2.43	-99.26
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230190	1	48	0.0	-101.74	378.78	2.44	-99.30
CSCC[C@H](NC(=O)NC1=CC(C(N)=O)=CC=C1C[NH+](C)C)C1=N[N-]N=N1	REAL300020230191	0	51	0.0	-78.92	420.89	2.43	-76.49
CSCC[C@H](NC(=O)NC1=CC(C(N)=O)=CC=C1C[NH+](C)C)C1=NN=N[N-]1	REAL300020230191	1	51	0.0	-78.93	420.95	2.45	-76.48
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230192	0	48	0.0	-85.41	380.19	2.37	-83.04
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230192	1	48	0.0	-85.35	380.26	2.39	-82.96
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230193	0	54	0.0	-75.15	395.52	4.35	-70.80
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230193	1	54	0.0	-75.12	395.57	4.37	-70.75
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020230424	0	54	0.0	-70.20	427.64	7.36	-62.84
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020230424	1	54	0.0	-70.19	427.69	7.39	-62.80
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230425	0	54	0.0	-70.81	408.46	6.90	-63.91
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230425	1	54	0.0	-70.84	408.51	6.92	-63.92
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230426	0	51	0.0	-82.01	393.01	5.99	-76.02
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230426	1	51	0.0	-82.02	393.07	6.01	-76.01
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300020230427	0	54	0.0	-73.69	436.62	5.95	-67.74
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300020230427	1	54	0.0	-73.66	436.68	5.96	-67.70
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230428	0	51	0.0	-74.13	394.48	6.05	-68.08
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230428	1	51	0.0	-74.13	394.56	6.05	-68.08
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020230429	0	57	0.0	-76.64	416.45	7.77	-68.87
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230429	1	57	0.0	-76.61	416.48	7.78	-68.83
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230984	0	58	0.0	-66.51	433.35	7.87	-58.64
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230984	1	58	0.0	-66.49	433.41	7.88	-58.61
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230985	0	55	0.0	-75.02	418.06	6.90	-68.12
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230985	1	55	0.0	-75.01	418.12	6.92	-68.09
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230986	0	55	0.0	-66.32	419.77	6.99	-59.33
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230986	1	55	0.0	-66.31	419.85	6.99	-59.32
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)CC1	REAL300020231282	0	60	0.0	-69.61	445.82	9.53	-60.08
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)CC1	REAL300020231282	1	60	0.0	-69.63	445.87	9.55	-60.08
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)CC1	REAL300020231283	0	57	0.0	-84.60	431.34	8.60	-76.00
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)CC1	REAL300020231283	1	57	0.0	-84.58	431.40	8.62	-75.96
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300020231284	0	57	0.0	-74.03	432.73	8.66	-65.37
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300020231284	1	57	0.0	-73.97	432.80	8.67	-65.30
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232984	0	50	0.0	-69.38	399.57	7.81	-61.57
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232984	1	50	0.0	-69.35	399.51	7.78	-61.57
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232985	0	50	0.0	-72.03	380.43	7.29	-64.74
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232985	1	50	0.0	-72.07	380.48	7.30	-64.77
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232986	0	47	0.0	-86.13	365.13	6.36	-79.77
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232986	1	47	0.0	-86.17	365.19	6.37	-79.80
CSCC[C@H](NC(=O)NC1=CC=CC=C1CC[NH+](C)C)C1=N[N-]N=N1	REAL300020232987	0	50	0.0	-70.35	408.65	6.34	-64.01
CSCC[C@H](NC(=O)NC1=CC=CC=C1CC[NH+](C)C)C1=NN=N[N-]1	REAL300020232987	1	50	0.0	-70.35	408.71	6.35	-64.00
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232988	0	47	0.0	-75.89	365.82	6.38	-69.51
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232988	1	47	0.0	-75.92	365.89	6.39	-69.53
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232989	0	53	0.0	-73.27	387.32	7.64	-65.63
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232989	1	53	0.0	-73.33	387.36	7.64	-65.69
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)CC1	REAL300020233157	0	56	0.0	-70.57	412.22	6.05	-64.52
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)CC1	REAL300020233157	1	56	0.0	-70.62	412.28	6.07	-64.55
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)CC1	REAL300020233158	0	53	0.0	-68.10	398.32	5.16	-62.94
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)CC1	REAL300020233158	1	53	0.0	-68.11	398.37	5.17	-62.94
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300020233159	0	53	0.0	-66.17	399.48	5.15	-61.02
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300020233159	1	53	0.0	-66.20	399.56	5.15	-61.05
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)CC1	REAL300020233160	0	59	0.0	-59.07	426.38	6.21	-52.86
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)CC1	REAL300020233160	1	59	0.0	-59.00	426.43	6.22	-52.78
C[NH+]1CCC(N2C=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)CC1	REAL300020233679	0	51	0.0	-74.90	405.59	6.60	-68.30
C[NH+]1CCC(N2C=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)CC1	REAL300020233679	1	51	0.0	-74.90	405.54	6.58	-68.32
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)CC1	REAL300020233680	0	51	0.0	-75.95	386.43	6.12	-69.83
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)CC1	REAL300020233680	1	51	0.0	-76.03	386.37	6.11	-69.92
C[NH+]1CCC(N2C=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=N2)CC1	REAL300020233681	0	48	0.0	-82.15	370.95	5.21	-76.94
C[NH+]1CCC(N2C=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=N2)CC1	REAL300020233681	1	48	0.0	-82.15	370.89	5.19	-76.96
CSCC[C@H](NC(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1)C1=NN=N[N-]1	REAL300020233682	0	51	0.0	-77.05	414.57	5.17	-71.88
CSCC[C@H](NC(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1)C1=N[N-]N=N1	REAL300020233682	1	51	0.0	-76.99	414.52	5.16	-71.83
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)CC1	REAL300020233683	0	48	0.0	-75.71	372.44	5.25	-70.46
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)CC1	REAL300020233683	1	48	0.0	-75.73	372.37	5.24	-70.49
C[NH+]1CCC(N2C=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)CC1	REAL300020233684	0	54	0.0	-74.13	394.39	7.00	-67.13
C[NH+]1CCC(N2C=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)CC1	REAL300020233684	1	54	0.0	-74.13	394.34	7.00	-67.13
C[NH+](C)CCN1N=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235070	0	47	0.0	-69.32	383.20	5.64	-63.68
C[NH+](C)CCN1N=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235070	1	47	0.0	-69.35	383.15	5.61	-63.74
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235071	0	47	0.0	-68.65	363.99	5.15	-63.50
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235071	1	47	0.0	-68.65	363.93	5.14	-63.51
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235072	0	44	0.0	-81.16	348.57	4.26	-76.90
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235072	1	44	0.0	-81.16	348.51	4.23	-76.93
CSCC[C@H](NC(=O)NC1=CC=NN1CC[NH+](C)C)C1=NN=N[N-]1	REAL300020235073	0	47	0.0	-72.94	392.18	4.21	-68.73
CSCC[C@H](NC(=O)NC1=CC=NN1CC[NH+](C)C)C1=N[N-]N=N1	REAL300020235073	1	47	0.0	-72.88	392.12	4.20	-68.68
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235074	0	44	0.0	-73.49	350.05	4.32	-69.17
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235074	1	44	0.0	-73.45	349.98	4.30	-69.15
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235075	0	50	0.0	-72.21	372.02	6.04	-66.17
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235075	1	50	0.0	-72.24	371.97	6.04	-66.20
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OCC[NH+](C)C	REAL300020235648	0	55	0.0	-65.94	421.66	5.82	-60.12
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OCC[NH+](C)C	REAL300020235648	1	55	0.0	-65.94	421.72	5.84	-60.10
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OCC[NH+](C)C	REAL300020235649	0	52	0.0	-72.39	405.95	4.95	-67.44
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OCC[NH+](C)C	REAL300020235649	1	52	0.0	-72.39	406.01	4.97	-67.42
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC[NH+](C)C	REAL300020235650	0	52	0.0	-66.84	407.65	4.98	-61.86
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC[NH+](C)C	REAL300020235650	1	52	0.0	-66.85	407.73	4.99	-61.86
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236145	0	52	0.0	-71.55	413.62	7.68	-63.87
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236145	1	52	0.0	-71.55	413.68	7.69	-63.86
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236146	0	52	0.0	-66.11	415.72	7.79	-58.32
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236146	1	52	0.0	-66.14	415.80	7.80	-58.34
C[N@H+](CC1=CC=C2N=C(NC(=O)N3CCCC3C3=NN=N[N-]3)SC2=C1)C1CC1	REAL300020236289	0	50	0.0	-83.93	409.97	7.70	-76.23
C[N@@H+](CC1=CC=C2N=C(NC(=O)N3CCCC3C3=NN=N[N-]3)SC2=C1)C1CC1	REAL300020236289	1	50	0.0	-84.99	410.10	7.72	-77.27
C[N@H+](CC1=CC=C2N=C(NC(=O)N3CCCC3C3=N[N-]N=N3)SC2=C1)C1CC1	REAL300020236289	1	50	0.0	-83.95	409.91	7.67	-76.28
C[N@@H+](CC1=CC=C2N=C(NC(=O)N3CCCC3C3=N[N-]N=N3)SC2=C1)C1CC1	REAL300020236289	1	50	0.0	-85.00	410.04	7.70	-77.30
C[N@H+](CC1=CC=C2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=C1)C1CC1	REAL300020236290	0	50	0.0	-76.30	411.44	7.77	-68.53
C[N@@H+](CC1=CC=C2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=C1)C1CC1	REAL300020236290	1	50	0.0	-76.88	411.57	7.78	-69.10
C[N@H+](CC1=CC=C2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=C1)C1CC1	REAL300020236290	1	50	0.0	-76.29	411.36	7.76	-68.53
C[N@@H+](CC1=CC=C2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=C1)C1CC1	REAL300020236290	1	50	0.0	-76.88	411.50	7.77	-69.11
C[NH+](C)CC1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020236993	0	46	0.0	-76.27	377.68	6.44	-69.83
C[NH+](C)CC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020236994	0	46	0.0	-62.96	355.87	5.27	-57.69
C[NH+](C)CC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020236994	1	46	0.0	-62.97	355.93	5.29	-57.68
C[NH+](C)CC1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020236995	0	43	0.0	-87.59	343.12	5.03	-82.56
C[NH+](C)CC1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020236995	1	43	0.0	-87.53	343.18	5.04	-82.49
CSCC[C@H](NC(=O)NC1=CC(C[NH+](C)C)=CC=N1)C1=N[N-]N=N1	REAL300020236996	0	46	0.0	-80.55	386.87	4.97	-75.58
CSCC[C@H](NC(=O)NC1=CC(C[NH+](C)C)=CC=N1)C1=NN=N[N-]1	REAL300020236996	1	46	0.0	-80.56	386.92	4.98	-75.58
C[NH+](C)CC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020236997	0	43	0.0	-79.81	344.68	5.06	-74.75
C[NH+](C)CC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020236997	1	43	0.0	-79.81	344.76	5.08	-74.73
C[NH+](C)CC1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236998	0	49	0.0	-79.14	367.27	6.75	-72.39
C[NH+](C)CC1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236998	1	49	0.0	-79.13	367.32	6.76	-72.37
CN(C)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=[NH+]1	REAL300020237002	0	43	0.0	-55.61	352.26	4.98	-50.63
CN(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=[NH+]1	REAL300020237003	0	43	0.0	-55.87	335.03	4.49	-51.38
CN(C)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=[NH+]1	REAL300020237004	0	40	0.0	-56.00	317.93	3.59	-52.41
CSCC[C@H](NC(=O)NC1=CC=[NH+]C(N(C)C)=C1)C1=NN=N[N-]1	REAL300020237005	0	43	0.0	-54.23	362.04	3.57	-50.66
CN(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=[NH+]1	REAL300020237006	0	40	0.0	-55.45	321.10	3.64	-51.81
CN(C)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=[NH+]1	REAL300020237007	0	46	0.0	-38.38	348.75	4.70	-33.68
C[NH+](C)CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020237008	1	46	0.0	-50.49	377.12	5.23	-45.26
C[NH+](C)CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020237009	1	46	0.0	-65.49	358.17	4.73	-60.76
C[NH+](C)CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300020237010	1	43	0.0	-69.53	342.86	3.45	-66.08
CSCC[C@H](NC(=O)NC1=CC=NC(C[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300020237011	1	46	0.0	-53.41	386.17	3.83	-49.58
C[NH+](C)CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020237012	1	43	0.0	-55.24	344.27	3.51	-51.73
C[NH+](C)CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020237013	1	49	0.0	-47.11	372.62	4.55	-42.56
C[NH+]1CCC(N2C=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=N2)CC1	REAL300020237167	0	51	0.0	-77.59	405.83	5.61	-71.98
C[NH+]1CCC(N2C=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=N2)CC1	REAL300020237167	1	51	0.0	-77.59	405.77	5.59	-72.00
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)CC1	REAL300020237168	0	51	0.0	-77.60	386.63	5.15	-72.45
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CC1	REAL300020237168	1	51	0.0	-77.56	386.57	5.14	-72.42
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)CC1	REAL300020237169	0	48	0.0	-89.35	371.18	4.23	-85.12
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)CC1	REAL300020237169	1	48	0.0	-89.36	371.12	4.21	-85.15
CSCC[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C1=NN=N[N-]1	REAL300020237170	0	51	0.0	-81.30	414.81	4.20	-77.10
CSCC[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C1=N[N-]N=N1	REAL300020237170	1	51	0.0	-81.33	414.75	4.18	-77.15
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)CC1	REAL300020237171	0	48	0.0	-80.79	372.66	4.28	-76.51
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)CC1	REAL300020237171	1	48	0.0	-80.79	372.59	4.28	-76.51
C[NH+]1CCC(N2C=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)CC1	REAL300020237172	0	54	0.0	-82.57	394.62	6.03	-76.54
C[NH+]1CCC(N2C=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)CC1	REAL300020237172	1	54	0.0	-82.51	394.59	6.02	-76.49
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237570	0	57	0.0	-67.96	419.63	6.53	-61.43
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237570	1	57	0.0	-66.19	418.17	6.56	-59.63
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237570	1	57	0.0	-67.96	419.68	6.55	-61.41
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237570	1	57	0.0	-66.18	418.23	6.58	-59.60
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237571	0	54	0.0	-77.53	403.84	5.63	-71.90
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237571	1	54	0.0	-70.17	407.75	5.80	-64.37
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237571	1	54	0.0	-77.57	403.90	5.66	-71.91
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237571	1	54	0.0	-70.18	407.81	5.80	-64.38
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237572	0	54	0.0	-69.01	405.20	5.69	-63.32
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237572	1	54	0.0	-64.86	409.27	5.85	-59.01
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237572	1	54	0.0	-68.98	405.28	5.71	-63.27
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237572	1	54	0.0	-64.89	409.35	5.86	-59.03
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300020238097	0	50	0.0	-59.44	394.61	5.78	-53.66
O=C(NC1=CC=[NH+]C(N2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238098	0	50	0.0	-54.43	375.44	5.32	-49.11
O=C(NC1=CC=[NH+]C(N2CCCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238099	0	47	0.0	-59.23	360.37	4.37	-54.86
O=C(NC1=CC=[NH+]C(N2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238101	0	47	0.0	-59.46	361.75	4.42	-55.04
O=C(NC1=CC=[NH+]C(N2CCCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238102	0	53	0.0	-33.36	388.45	5.44	-27.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C[NH+]1CCCCC1	REAL300020238674	0	54	0.0	-64.92	419.80	9.03	-55.89
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C[NH+]1CCCCC1	REAL300020238674	1	54	0.0	-64.91	419.74	9.00	-55.91
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238675	0	54	0.0	-69.04	400.12	8.41	-60.63
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238675	1	54	0.0	-69.06	400.18	8.42	-60.64
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020238676	0	51	0.0	-70.84	384.38	7.52	-63.32
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020238676	1	51	0.0	-70.89	384.44	7.55	-63.34
CSCC[C@H](NC(=O)NC1=CC=CC=C1C[NH+]1CCCCC1)C1=N[N-]N=N1	REAL300020238677	0	54	0.0	-63.00	427.66	7.55	-55.45
CSCC[C@H](NC(=O)NC1=CC=CC=C1C[NH+]1CCCCC1)C1=NN=N[N-]1	REAL300020238677	1	54	0.0	-62.98	427.72	7.57	-55.41
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238678	0	51	0.0	-69.85	385.63	7.62	-62.23
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238678	1	51	0.0	-69.86	385.70	7.63	-62.23
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238679	0	57	0.0	-65.85	408.48	9.56	-56.29
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238679	1	57	0.0	-65.90	408.53	9.57	-56.33
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238775	0	57	0.0	-68.81	423.62	7.03	-61.78
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238775	1	57	0.0	-68.83	423.67	7.04	-61.79
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238776	0	54	0.0	-68.08	407.64	6.12	-61.96
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238776	1	54	0.0	-68.06	407.70	6.13	-61.93
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238777	0	54	0.0	-61.44	409.04	6.16	-55.28
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238777	1	54	0.0	-61.48	409.11	6.18	-55.30
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239479	0	51	0.0	-66.02	409.46	6.59	-59.43
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239479	1	51	0.0	-66.02	409.40	6.56	-59.46
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239480	0	51	0.0	-71.06	390.45	6.09	-64.97
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239480	1	51	0.0	-71.03	390.50	6.11	-64.92
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239481	0	48	0.0	-82.46	375.88	5.18	-77.28
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239481	1	48	0.0	-82.45	375.94	5.21	-77.24
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC[NH+](C)C)C1=N[N-]N=N1	REAL300020239482	0	51	0.0	-74.49	418.76	5.14	-69.35
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC[NH+](C)C)C1=NN=N[N-]1	REAL300020239482	1	51	0.0	-74.49	418.82	5.15	-69.34
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239483	0	48	0.0	-71.27	376.38	5.25	-66.02
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239483	1	48	0.0	-71.24	376.45	5.25	-65.99
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239484	0	54	0.0	-37.96	401.39	6.38	-31.58
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239484	1	54	0.0	-37.96	401.48	6.40	-31.56
CN(C)C1=NC(N2CCOCC2)=[NH+]C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240329	1	52	0.0	-44.91	399.74	3.30	-41.61
CN(C)C1=NC(N2CCOCC2)=[NH+]C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240330	1	52	0.0	-47.98	400.36	3.39	-44.59
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240589	1	45	0.0	-60.99	368.43	5.43	-55.56
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240590	1	45	0.0	-60.31	351.73	4.99	-55.32
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240590	1	45	0.0	-60.31	351.79	5.00	-55.31
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240591	1	42	0.0	-58.17	341.60	2.88	-55.29
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240591	1	42	0.0	-58.15	341.66	2.89	-55.26
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020240592	1	45	0.0	-58.33	385.14	2.84	-55.49
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020240592	1	45	0.0	-58.31	385.19	2.85	-55.46
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240593	1	42	0.0	-58.98	342.98	2.95	-56.03
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240593	1	42	0.0	-58.96	343.05	2.95	-56.01
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240594	1	48	0.0	-42.53	360.52	4.09	-38.44
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240594	1	48	0.0	-42.86	359.97	4.43	-38.43
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)CC1	REAL300020241752	0	60	0.0	-69.14	450.70	8.83	-60.31
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)CC1	REAL300020241752	1	60	0.0	-69.12	450.76	8.84	-60.28
O=C(NCC(C1=CC=CC=C1)[NH+]1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241756	0	54	0.0	-64.70	406.56	7.52	-57.18
O=C(NCC(C1=CC=CC=C1)[NH+]1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241756	1	54	0.0	-64.75	406.62	7.54	-57.21
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241763	1	48	0.0	-61.53	372.55	5.72	-55.81
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241763	1	48	0.0	-61.63	372.61	5.73	-55.90
C[NH+](C)C1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCC1	REAL300020241767	0	53	0.0	-66.37	366.80	5.40	-60.97
C[NH+](C)C1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCC1	REAL300020241767	1	53	0.0	-66.39	366.86	5.42	-60.97
COC1=CC=C(C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)[NH+]2CCCC2)C=C1	REAL300020241768	0	58	0.0	-64.09	435.51	6.81	-57.28
COC1=CC=C(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[NH+]2CCCC2)C=C1	REAL300020241768	1	58	0.0	-64.16	435.57	6.83	-57.33
O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241769	0	60	0.0	-62.35	408.75	7.28	-55.07
O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241769	1	60	0.0	-62.37	408.81	7.30	-55.07
COC1=CC=C(C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)[NH+](C)C)C=C1	REAL300020241770	0	54	0.0	-70.51	408.79	5.66	-64.85
COC1=CC=C(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[NH+](C)C)C=C1	REAL300020241770	1	54	0.0	-70.52	408.84	5.67	-64.85
O=C(NCC(C1=CC=CO1)[NH+]1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241774	1	54	0.0	-64.05	398.64	6.42	-57.63
C[NH+](C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CO1	REAL300020241775	1	47	0.0	-61.05	361.40	4.92	-56.13
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241776	1	58	0.0	-66.20	399.68	4.84	-61.36
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241776	1	58	0.0	-66.21	399.74	4.85	-61.36
C[NH+](C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CS1	REAL300020241779	0	47	0.0	-63.18	371.91	5.46	-57.72
C[NH+](C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CS1	REAL300020241779	1	47	0.0	-63.17	371.97	5.47	-57.70
C[NH+](C)C1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1	REAL300020241780	0	50	0.0	-63.04	355.83	5.16	-57.88
C[NH+](C)C1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1	REAL300020241780	1	50	0.0	-63.04	355.89	5.18	-57.86
CC(C)[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020241785	0	50	0.0	-63.68	365.46	5.15	-58.53
CC(C)[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241785	1	50	0.0	-63.72	365.52	5.17	-58.55
O=C(NCC1=CC=CC(C[NH+]2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241788	0	54	0.0	-68.12	412.55	7.45	-60.67
O=C(NCC1=CC=CC(C[NH+]2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241788	1	54	0.0	-68.11	412.61	7.46	-60.65
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241789	0	56	0.0	-67.81	415.99	7.32	-60.49
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241789	1	56	0.0	-67.82	416.04	7.34	-60.48
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CC1	REAL300020241800	0	58	0.0	-68.64	437.03	5.54	-63.10
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)CC1	REAL300020241800	1	58	0.0	-68.67	437.09	5.55	-63.12
CC1(C)CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C)(C)[NH2+]1	REAL300020241815	0	53	0.0	-65.95	382.14	4.02	-61.93
CC1(C)CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)(C)[NH2+]1	REAL300020241815	1	53	0.0	-66.01	382.20	4.03	-61.98
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020241818	1	51	0.0	-81.12	387.68	3.57	-77.55
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241818	1	51	0.0	-81.13	387.74	3.59	-77.54
O=C(NC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241819	0	54	0.0	-68.61	407.36	7.49	-61.12
O=C(NC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241819	1	54	0.0	-68.63	407.42	7.51	-61.12
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300020241833	1	59	0.0	-69.39	428.38	6.11	-63.28
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300020241833	1	59	0.0	-69.37	428.44	6.12	-63.25
O=C(NCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241834	1	56	0.0	-69.76	418.39	5.51	-64.25
O=C(NCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241834	1	56	0.0	-69.83	418.44	5.52	-64.31
CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241836	1	51	0.0	-69.97	386.56	2.37	-67.60
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241837	1	57	0.0	-69.80	429.55	3.97	-65.83
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C	REAL300020241852	0	57	0.0	-59.98	406.30	7.38	-52.60
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)C	REAL300020241852	1	57	0.0	-59.97	406.36	7.40	-52.57
CC[NH+](CC)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CSC=C1	REAL300020241857	0	53	0.0	-62.01	394.93	7.28	-54.73
CC[NH+](CC)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CSC=C1	REAL300020241857	1	53	0.0	-62.05	394.99	7.30	-54.75
CC(C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCC(C)CC1	REAL300020241858	0	59	0.0	-63.82	413.80	7.82	-56.00
CC(C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCC(C)CC1	REAL300020241858	1	59	0.0	-63.83	413.85	7.84	-55.99
CC[NH+](CC)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC1=CC=CC=C1	REAL300020241860	0	59	0.0	-60.34	416.23	8.19	-52.15
CC[NH+](CC)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC1=CC=CC=C1	REAL300020241860	1	59	0.0	-60.27	416.29	8.21	-52.06
CC[NH+](CC)C(C)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241861	0	49	0.0	-63.88	353.74	4.61	-59.27
CC[NH+](CC)C(C)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241861	1	49	0.0	-63.90	353.80	4.63	-59.27
O=C(NCC[N@@H+]1CCC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241862	0	51	0.0	-70.97	387.87	6.76	-64.21
O=C(NCC[N@H+]1CCC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241862	1	51	0.0	-70.78	387.80	6.72	-64.06
O=C(NCC[N@@H+]1CCC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241862	1	51	0.0	-70.96	387.93	6.78	-64.18
O=C(NCC[N@H+]1CCC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241862	1	51	0.0	-70.79	387.86	6.74	-64.05
CN(C)C1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=[NH+]1	REAL300020241864	1	46	0.0	-59.71	360.76	4.59	-55.12
CN(C)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=[NH+]1	REAL300020241865	1	46	0.0	-60.90	359.83	4.62	-56.28
CCC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020241866	0	57	0.0	-66.72	414.68	8.67	-58.05
CCC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020241866	1	57	0.0	-67.33	412.87	7.72	-59.61
CCC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020241866	1	57	0.0	-66.76	414.73	8.69	-58.07
CCC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020241866	1	57	0.0	-67.39	412.93	7.74	-59.65
C[NH+](C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300020241867	0	56	0.0	-68.02	391.33	7.17	-60.85
C[NH+](C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020241867	1	56	0.0	-68.03	391.38	7.19	-60.84
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@@H+]1CCCCC1C	REAL300020241868	0	53	0.0	-62.19	376.77	5.66	-56.53
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@H+]1CCCCC1C	REAL300020241868	1	53	0.0	-61.19	371.32	6.24	-54.95
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@@H+]1CCCCC1C	REAL300020241868	1	53	0.0	-62.19	376.82	5.67	-56.52
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@H+]1CCCCC1C	REAL300020241868	1	53	0.0	-61.18	371.38	6.26	-54.92
C[NH+](C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CSC=C1	REAL300020241870	0	47	0.0	-66.89	370.37	5.29	-61.60
C[NH+](C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CSC=C1	REAL300020241870	1	47	0.0	-66.90	370.43	5.31	-61.59
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@@H+]1CCCC(C)C1	REAL300020241871	0	53	0.0	-63.42	382.39	6.18	-57.24
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@H+]1CCCC(C)C1	REAL300020241871	1	53	0.0	-63.81	374.24	5.80	-58.01
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@@H+]1CCCC(C)C1	REAL300020241871	1	53	0.0	-63.43	382.45	6.19	-57.24
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@H+]1CCCC(C)C1	REAL300020241871	1	53	0.0	-63.79	374.30	5.81	-57.98
CC1CC[NH+](CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020241872	0	50	0.0	-65.26	369.98	5.17	-60.09
CC1CC[NH+](CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241872	1	50	0.0	-65.27	370.04	5.19	-60.08
CC1CCC[N@H+](CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241873	0	50	0.0	-65.36	363.77	5.23	-60.13
CC1CCC[N@@H+](CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241873	1	50	0.0	-65.52	363.76	5.23	-60.29
CC1CCC[N@H+](CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241873	1	50	0.0	-65.38	363.82	5.25	-60.13
CC1CCC[N@@H+](CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241873	1	50	0.0	-65.54	363.82	5.25	-60.29
C[N@H+](CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300020241874	0	56	0.0	-66.88	405.50	6.55	-60.33
C[N@@H+](CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300020241874	1	56	0.0	-66.49	405.50	6.54	-59.95
C[N@H+](CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020241874	1	56	0.0	-66.92	405.55	6.57	-60.35
C[N@@H+](CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020241874	1	56	0.0	-66.52	405.55	6.56	-59.96
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241876	0	56	0.0	-66.54	412.77	6.57	-59.97
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241876	1	56	0.0	-66.57	412.83	6.58	-59.99
O=C(NCCC[N@@H+]1CCC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241877	0	54	0.0	-72.08	409.30	7.51	-64.57
O=C(NCCC[N@H+]1CCC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241877	1	54	0.0	-72.12	409.34	7.55	-64.57
O=C(NCCC[N@@H+]1CCC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241877	1	54	0.0	-72.12	409.35	7.53	-64.59
O=C(NCCC[N@H+]1CCC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241877	1	54	0.0	-72.15	409.40	7.57	-64.58
CC(C[NH+]1CCCCC1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241879	0	50	0.0	-65.95	368.19	5.79	-60.16
CC(C[NH+]1CCCCC1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241879	1	50	0.0	-65.95	368.25	5.81	-60.14
O=C(NC(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241881	0	54	0.0	-67.25	405.40	8.80	-58.45
O=C(NC(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241881	1	54	0.0	-67.20	405.45	8.81	-58.39
CC[NH+](CC)CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241899	0	49	0.0	-65.50	360.78	4.60	-60.90
CC[NH+](CC)CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241899	1	49	0.0	-65.49	360.84	4.62	-60.87
C[NH+](C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020241907	0	50	0.0	-68.59	379.14	6.37	-62.22
C[NH+](C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020241907	1	50	0.0	-68.60	379.20	6.39	-62.21
CC(C)[NH+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C	REAL300020241908	0	52	0.0	-61.13	368.74	4.72	-56.41
CC(C)[NH+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)C	REAL300020241908	1	52	0.0	-61.14	368.80	4.74	-56.40
O=C(NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241914	0	59	0.0	-71.93	439.89	6.30	-65.63
O=C(NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241914	1	59	0.0	-71.96	439.95	6.31	-65.65
CC1CC[NH+](CCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020241924	0	56	0.0	-67.90	412.97	6.75	-61.15
CC1CC[NH+](CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241924	1	56	0.0	-67.93	413.03	6.76	-61.17
O=C(NCCCC[NH+]1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241925	0	51	0.0	-69.91	383.83	3.72	-66.19
O=C(NCCCC[NH+]1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241925	1	51	0.0	-69.94	383.89	3.74	-66.20
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241926	0	56	0.0	-64.20	409.27	6.64	-57.56
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241926	1	56	0.0	-65.39	409.25	6.63	-58.76
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241926	1	56	0.0	-64.17	409.33	6.65	-57.52
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241926	1	56	0.0	-65.43	409.31	6.64	-58.79
CC1CCC[N@H+](CCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241927	0	56	0.0	-67.38	413.42	6.75	-60.63
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241927	1	56	0.0	-67.41	413.43	6.75	-60.66
CC1CCC[N@H+](CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241927	1	56	0.0	-67.36	413.47	6.76	-60.60
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241927	1	56	0.0	-67.44	413.49	6.76	-60.68
CCN1CC[NH+](CCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020241928	0	58	0.0	-67.12	427.19	4.39	-62.73
CCN1CC[NH+](CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241928	1	58	0.0	-67.18	427.25	4.40	-62.78
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020241928	1	58	0.0	-65.70	426.68	4.35	-61.35
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241928	1	58	0.0	-65.75	426.74	4.37	-61.38
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241929	0	59	0.0	-66.53	434.27	7.34	-59.19
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241929	1	59	0.0	-66.53	434.33	7.36	-59.17
C[NH+](C)C1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCCC1	REAL300020241940	0	56	0.0	-65.68	373.25	6.53	-59.15
C[NH+](C)C1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCCC1	REAL300020241940	1	56	0.0	-65.69	373.30	6.54	-59.15
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241946	0	54	0.0	-66.33	400.92	4.44	-61.89
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241946	1	54	0.0	-67.37	400.58	4.50	-62.87
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241946	1	54	0.0	-66.42	400.97	4.46	-61.96
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241946	1	54	0.0	-67.35	400.64	4.52	-62.83
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241954	0	50	0.0	-69.65	388.29	6.35	-63.30
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241954	1	50	0.0	-69.66	388.35	6.36	-63.30
O=C(NC1CC[N@@H+]2CCCC2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241957	0	48	0.0	-65.99	350.79	5.33	-60.66
O=C(NC1CC[N@H+]2CCCC2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241957	1	48	0.0	-66.09	350.70	5.34	-60.75
O=C(NC1CC[N@@H+]2CCCC2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241957	1	48	0.0	-66.02	350.85	5.34	-60.68
O=C(NC1CC[N@H+]2CCCC2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241957	1	48	0.0	-66.04	350.76	5.35	-60.69
O=C(NCC1CC[N@@H+](C2CC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241979	0	48	0.0	-63.97	364.79	5.30	-58.67
O=C(NCC1CC[N@H+](C2CC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241979	1	48	0.0	-65.22	364.97	5.23	-59.99
O=C(NCC1CC[N@@H+](C2CC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241979	1	48	0.0	-63.96	364.85	5.32	-58.64
O=C(NCC1CC[N@H+](C2CC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241979	1	48	0.0	-65.20	365.02	5.25	-59.95
O=C(NC1CC[NH+](CCC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242032	0	57	0.0	-70.51	429.76	8.38	-62.13
O=C(NC1CC[NH+](CCC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242032	1	57	0.0	-70.52	429.82	8.40	-62.12
C[NH+](C)CCN1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242033	0	55	0.0	-68.00	404.36	3.67	-64.33
C[NH+](C)CCN1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242033	1	55	0.0	-68.03	404.42	3.68	-64.35
CN(C)CC[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242033	1	55	0.0	-66.69	403.81	3.39	-63.30
O=C(NC1CC[NH+](CC2=CC=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242034	0	53	0.0	-67.30	403.14	5.73	-61.57
O=C(NC1CC[NH+](CC2=CC=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242034	1	53	0.0	-67.35	403.20	5.74	-61.61
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242035	0	57	0.0	-69.45	423.88	8.11	-61.34
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242035	1	57	0.0	-69.45	423.93	8.13	-61.32
O=C(NC1CC[N@@H+]2CCCCC12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242042	0	48	0.0	-63.65	354.07	5.11	-58.54
O=C(NC1CC[N@H+]2CCCCC12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242042	1	48	0.0	-64.84	353.94	5.10	-59.74
O=C(NC1CC[N@@H+]2CCCCC12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242042	1	48	0.0	-63.64	354.13	5.12	-58.52
O=C(NC1CC[N@H+]2CCCCC12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242042	1	48	0.0	-64.85	354.00	5.12	-59.73
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CC1	REAL300020242054	0	60	0.0	-70.10	450.68	8.83	-61.27
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL300020242054	1	60	0.0	-70.11	450.73	8.84	-61.27
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242055	0	60	0.0	-66.01	439.77	8.38	-57.63
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242055	1	60	0.0	-65.88	439.77	8.38	-57.50
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242055	1	60	0.0	-66.03	439.83	8.40	-57.63
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242055	1	60	0.0	-65.86	439.83	8.40	-57.46
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242056	0	60	0.0	-61.56	433.52	8.61	-52.95
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242056	1	60	0.0	-61.82	437.26	9.60	-52.22
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242056	1	60	0.0	-61.57	433.58	8.63	-52.94
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242056	1	60	0.0	-61.87	437.32	9.62	-52.25
C[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242058	0	59	0.0	-67.57	441.20	6.39	-61.18
C[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242058	1	59	0.0	-67.61	441.26	6.40	-61.21
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C1	REAL300020242059	0	60	0.0	-68.85	450.74	8.79	-60.06
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C1	REAL300020242059	1	60	0.0	-67.90	450.69	8.81	-59.09
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C1	REAL300020242059	1	60	0.0	-68.84	450.79	8.81	-60.03
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C1	REAL300020242059	1	60	0.0	-67.93	450.75	8.82	-59.11
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242060	0	60	0.0	-55.53	437.66	9.07	-46.46
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242060	1	60	0.0	-55.64	435.48	8.80	-46.84
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242060	1	60	0.0	-55.56	437.72	9.08	-46.48
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242060	1	60	0.0	-55.66	435.54	8.81	-46.85
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242061	0	56	0.0	-62.31	416.38	7.76	-54.55
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242061	1	56	0.0	-62.05	412.39	8.26	-53.79
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242061	1	56	0.0	-62.36	416.43	7.77	-54.59
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242061	1	56	0.0	-62.08	412.45	8.27	-53.81
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242062	0	54	0.0	-67.57	418.08	6.14	-61.43
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242062	1	54	0.0	-67.54	418.14	6.16	-61.38
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242068	0	54	0.0	-68.66	418.17	6.12	-62.54
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242068	1	54	0.0	-68.70	418.22	6.14	-62.56
CC1CCN(C2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=[NH+]2)CC1	REAL300020242073	1	56	0.0	-61.83	422.29	6.01	-55.82
O=C(NCC1=CC=C(N2CCCC2)[NH+]=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242074	1	50	0.0	-61.36	386.36	4.51	-56.85
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=[NH+]1	REAL300020242076	1	52	0.0	-60.07	403.45	6.52	-53.55
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=N2)CC1	REAL300020242077	0	55	0.0	-65.78	419.84	4.93	-60.85
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=N2)CC1	REAL300020242077	1	55	0.0	-65.74	419.90	4.94	-60.80
O=C(NCC1=CC=C(N2CCCCCC2)[NH+]=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242078	1	56	0.0	-60.81	413.86	5.77	-55.04
O=C(NCC1=CC=C(N2CCCCC2)[NH+]=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242080	1	53	0.0	-61.45	401.44	5.41	-56.04
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C)O1	REAL300020242102	1	57	0.0	-61.03	400.77	4.76	-56.27
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)O1	REAL300020242102	1	57	0.0	-61.05	400.83	4.77	-56.28
O=C(NC1CC[NH+](C2CC2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242113	0	48	0.0	-64.05	356.02	5.18	-58.87
O=C(NC1CC[NH+](C2CC2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242113	1	48	0.0	-64.06	356.07	5.20	-58.86
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CC1	REAL300020242117	0	55	0.0	-70.12	419.79	4.90	-65.22
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)CC1	REAL300020242117	1	55	0.0	-70.14	419.85	4.91	-65.23
CC1C[NH+](CCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C)O1	REAL300020242146	0	54	0.0	-68.72	398.03	4.43	-64.29
CC1C[NH+](CCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)O1	REAL300020242146	1	54	0.0	-68.79	398.09	4.45	-64.34
CC(C)C[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242149	0	53	0.0	-65.13	387.70	6.08	-59.05
CC(C)C[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242149	1	53	0.0	-65.09	387.76	6.10	-58.99
O=C(NCC1=CC=[NH+]C(N2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242154	1	53	0.0	-62.01	401.48	5.44	-56.57
O=C(NCC1=CC=[NH+]C(N2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242156	1	50	0.0	-62.80	386.46	4.52	-58.28
CCC(CC)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCOCC1	REAL300020242158	1	60	0.0	-64.33	411.72	5.81	-58.52
CCC(CC)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCOCC1	REAL300020242158	1	60	0.0	-64.34	411.78	5.82	-58.52
C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242159	0	55	0.0	-61.16	393.76	3.60	-57.56
C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242159	1	55	0.0	-61.23	393.81	3.62	-57.61
CCC(CC)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCCC1	REAL300020242160	0	59	0.0	-63.17	390.41	5.02	-58.15
CCC(CC)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCCC1	REAL300020242160	1	59	0.0	-63.17	390.46	5.03	-58.14
CC(C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCN(C)CC1	REAL300020242161	0	58	0.0	-61.73	406.66	5.13	-56.60
CC(C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCN(C)CC1	REAL300020242161	1	58	0.0	-61.74	406.72	5.14	-56.60
CC[NH+](CC)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC(C)C	REAL300020242162	0	58	0.0	-63.34	410.59	6.55	-56.79
CC[NH+](CC)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC(C)C	REAL300020242162	1	58	0.0	-63.38	410.65	6.57	-56.81
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242198	0	50	0.0	-70.02	388.32	6.35	-63.67
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242198	1	50	0.0	-70.04	388.38	6.37	-63.67
O=C(NCCC[NH+]1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242211	0	50	0.0	-65.95	371.09	5.39	-60.56
O=C(NCCC[NH+]1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242211	1	50	0.0	-65.98	371.15	5.40	-60.58
O=C(NCCC[NH+]1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242212	0	47	0.0	-65.86	355.42	4.68	-61.18
O=C(NCCC[NH+]1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242212	1	47	0.0	-65.93	355.48	4.70	-61.23
CC1CC[NH+](CCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242213	0	53	0.0	-67.92	391.92	6.00	-61.92
CC1CC[NH+](CCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242213	1	53	0.0	-67.91	391.98	6.01	-61.90
C[N@H+](CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC1=CC=CC=C1	REAL300020242217	0	53	0.0	-69.72	406.10	7.10	-62.62
C[N@@H+](CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC1=CC=CC=C1	REAL300020242217	1	53	0.0	-70.77	406.10	7.08	-63.69
C[N@H+](CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC1=CC=CC=C1	REAL300020242217	1	53	0.0	-69.74	406.16	7.12	-62.62
C[N@@H+](CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC1=CC=CC=C1	REAL300020242217	1	53	0.0	-70.86	406.16	7.09	-63.77
COCC[N@H+](C)CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242226	0	50	0.0	-66.48	379.65	3.37	-63.11
COCC[N@@H+](C)CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242226	1	50	0.0	-65.94	379.78	3.36	-62.58
COCC[N@H+](C)CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242226	1	50	0.0	-66.50	379.71	3.38	-63.12
COCC[N@@H+](C)CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242226	1	50	0.0	-65.96	379.84	3.38	-62.58
CC(C)CC(C[NH+](C)C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242233	0	52	0.0	-60.71	384.15	5.87	-54.84
CC(C)CC(C[NH+](C)C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242233	1	52	0.0	-60.73	384.20	5.88	-54.85
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCCCC1	REAL300020242246	0	53	0.0	-59.34	374.13	5.73	-53.61
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300020242246	1	53	0.0	-59.39	374.19	5.74	-53.65
COC1=CC=CC=C1C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCCC1	REAL300020242253	0	58	0.0	-62.39	427.74	7.30	-55.09
COC1=CC=CC=C1C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCCC1	REAL300020242253	1	58	0.0	-62.42	427.80	7.32	-55.10
C[NH+](C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC1=CC=CC=C1	REAL300020242254	0	53	0.0	-67.46	390.38	7.73	-59.73
C[NH+](C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC1=CC=CC=C1	REAL300020242254	1	53	0.0	-67.49	390.44	7.75	-59.74
C[NH+](C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(F)=C1	REAL300020242257	0	50	0.0	-72.94	385.55	6.44	-66.50
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CC[NH+](CC)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020242261	1	56	0.0	-61.66	401.38	7.77	-53.89
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CC[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242268	0	47	0.0	-65.40	348.81	4.64	-60.76
CC[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242268	1	47	0.0	-65.38	348.87	4.65	-60.73
COC1=CC=CC(C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)[NH+]2CCCC2)=C1	REAL300020242271	0	58	0.0	-65.35	431.85	7.58	-57.77
COC1=CC=CC(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[NH+]2CCCC2)=C1	REAL300020242271	1	58	0.0	-65.34	431.90	7.59	-57.75
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CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242299	0	56	0.0	-66.86	418.17	7.38	-59.48
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242299	1	56	0.0	-66.84	418.23	7.40	-59.44
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242303	0	56	0.0	-61.21	413.02	7.65	-53.56
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242303	1	56	0.0	-61.24	413.08	7.66	-53.58
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O=C(NCC1=CC=CC=C1C[NH+]1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242307	1	54	0.0	-62.28	407.34	7.73	-54.55
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C[NH+]1CCCC1	REAL300020242338	0	50	0.0	-62.93	370.51	5.45	-57.48
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C[NH+]1CCCC1	REAL300020242338	1	50	0.0	-62.94	370.57	5.47	-57.47
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242339	1	45	0.0	-62.97	356.55	5.03	-57.94
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242339	1	45	0.0	-62.98	356.60	5.05	-57.93
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O=C(NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242342	1	54	0.0	-74.25	413.83	7.57	-66.68
O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242348	0	51	0.0	-66.07	380.35	6.17	-59.90
O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242348	1	51	0.0	-66.08	380.41	6.19	-59.89
C[NH+](C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL300020242357	0	50	0.0	-74.51	385.54	6.44	-68.07
C[NH+](C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300020242357	1	50	0.0	-74.52	385.59	6.46	-68.06
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242359	0	53	0.0	-62.28	377.98	5.37	-56.91
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242359	1	53	0.0	-62.26	378.04	5.38	-56.88
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CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C[NH+]1CCCCC1	REAL300020242402	0	53	0.0	-65.94	386.42	6.19	-59.75
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C[NH+]1CCCCC1	REAL300020242402	1	53	0.0	-65.97	386.48	6.21	-59.76
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCCCC1	REAL300020242404	0	50	0.0	-63.14	359.84	5.16	-57.98
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300020242404	1	50	0.0	-63.13	359.90	5.17	-57.96
CC1CCCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)([NH+](C)C)C1	REAL300020242427	0	56	0.0	-67.05	384.09	6.87	-60.18
CC1CCCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)([NH+](C)C)C1	REAL300020242427	1	56	0.0	-67.07	384.15	6.88	-60.19
CC1CC[NH+](C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2)CC1	REAL300020242428	0	60	0.0	-65.86	441.86	8.83	-57.03
CC1CC[NH+](C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2)CC1	REAL300020242428	1	60	0.0	-65.87	441.92	8.85	-57.02
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)CCO1	REAL300020242450	1	58	0.0	-71.62	435.69	6.53	-65.09
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)CCO1	REAL300020242450	1	58	0.0	-66.65	442.39	6.57	-60.08
O=C(NCC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242456	0	57	0.0	-71.72	427.47	8.25	-63.47
O=C(NCC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242456	1	57	0.0	-71.72	427.53	8.27	-63.45
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242458	0	56	0.0	-66.50	409.88	6.97	-59.53
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242458	1	56	0.0	-66.54	409.94	6.98	-59.56
C[N@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC1=CC=CC=C1	REAL300020242487	0	50	0.0	-69.91	384.60	6.29	-63.62
C[N@@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC1=CC=CC=C1	REAL300020242487	1	50	0.0	-70.12	384.65	6.31	-63.81
C[N@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC1=CC=CC=C1	REAL300020242487	1	50	0.0	-69.95	384.65	6.30	-63.65
C[N@@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC1=CC=CC=C1	REAL300020242487	1	50	0.0	-70.15	384.71	6.32	-63.83
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242489	0	53	0.0	-67.53	389.47	6.41	-61.12
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242489	1	53	0.0	-66.05	382.72	6.49	-59.56
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242489	1	53	0.0	-67.55	389.53	6.43	-61.12
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242489	1	53	0.0	-66.00	382.78	6.51	-59.49
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242497	0	56	0.0	-58.94	388.24	6.34	-52.60
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242497	1	56	0.0	-58.80	387.89	6.35	-52.45
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242497	1	56	0.0	-59.02	388.30	6.35	-52.67
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242497	1	56	0.0	-58.84	387.95	6.37	-52.47
CCC[N@@H+]1CCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242498	0	50	0.0	-67.56	375.58	5.31	-62.25
CCC[N@H+]1CCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242498	1	50	0.0	-67.20	374.69	5.30	-61.90
CCC[N@@H+]1CCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242498	1	50	0.0	-67.57	375.64	5.33	-62.24
CCC[N@H+]1CCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242498	1	50	0.0	-67.23	374.75	5.32	-61.91
O=C(NCC[N@@H+]1CCC2=C(C=CS2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242514	1	48	0.0	-71.44	378.42	5.87	-65.57
O=C(NCC[N@H+]1CCC2=C(C=CS2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242514	1	48	0.0	-71.40	378.34	5.84	-65.56
O=C(NCC[N@@H+]1CCC2=C(C=CS2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242514	1	48	0.0	-71.46	378.48	5.88	-65.58
O=C(NCC[N@H+]1CCC2=C(C=CS2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242514	1	48	0.0	-71.41	378.39	5.85	-65.56
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242518	0	59	0.0	-59.30	415.40	6.89	-52.41
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242518	1	59	0.0	-59.34	415.46	6.90	-52.44
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242525	0	54	0.0	-67.50	407.81	7.63	-59.87
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242525	1	54	0.0	-66.22	406.67	7.47	-58.75
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242525	1	54	0.0	-67.50	407.87	7.65	-59.85
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242525	1	54	0.0	-66.23	406.72	7.49	-58.74
COCC[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242529	0	51	0.0	-64.29	381.41	3.82	-60.47
COCC[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242529	1	51	0.0	-64.34	381.46	3.84	-60.50
O=C(NCC(C1=CC=CO1)[NH+]1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242541	1	51	0.0	-65.10	382.76	5.63	-59.47
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020242552	0	57	0.0	-65.40	412.83	7.82	-57.58
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020242552	1	57	0.0	-62.94	412.72	7.94	-55.00
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020242552	1	57	0.0	-65.44	412.88	7.83	-57.61
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020242552	1	57	0.0	-62.93	412.78	7.96	-54.97
O=C(NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242570	0	60	0.0	-69.24	439.18	8.37	-60.87
O=C(NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242570	1	60	0.0	-69.23	439.24	8.39	-60.84
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242573	0	54	0.0	-66.08	417.10	6.16	-59.92
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242573	1	54	0.0	-66.12	417.16	6.18	-59.94
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=N2)CC1	REAL300020242576	0	58	0.0	-67.94	437.61	5.61	-62.33
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=N2)CC1	REAL300020242576	1	58	0.0	-67.89	437.66	5.62	-62.27
C[NH+](C)CCCCCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242587	0	55	0.0	-66.82	415.44	6.63	-60.19
C[NH+](C)CCCCCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242587	1	55	0.0	-66.80	415.50	6.65	-60.15
CC1=CC=C(C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)[NH+](C)C)C=C1	REAL300020242605	0	53	0.0	-68.76	400.55	7.05	-61.71
CC1=CC=C(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[NH+](C)C)C=C1	REAL300020242605	1	53	0.0	-68.74	400.60	7.06	-61.68
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCC(C)CC1	REAL300020242608	0	53	0.0	-63.20	382.28	6.18	-57.02
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCC(C)CC1	REAL300020242608	1	53	0.0	-63.18	382.34	6.19	-56.99
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CC1=CC=C(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[NH+]2CCCC2)C=C1	REAL300020242658	1	57	0.0	-64.01	427.49	8.22	-55.79
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CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242685	0	53	0.0	-63.99	405.97	7.02	-56.97
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242685	1	53	0.0	-64.14	406.02	7.01	-57.13
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242685	1	53	0.0	-64.02	406.03	7.03	-56.99
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242685	1	53	0.0	-64.13	406.08	7.02	-57.11
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CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300020242713	1	51	0.0	-69.05	389.35	6.41	-62.64
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300020242713	1	51	0.0	-68.75	388.92	6.38	-62.37
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300020242713	1	51	0.0	-69.03	389.41	6.43	-62.60
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300020242713	1	51	0.0	-68.76	388.98	6.40	-62.36
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020242715	0	54	0.0	-68.31	398.52	7.33	-60.98
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020242715	1	54	0.0	-67.69	398.25	7.36	-60.33
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020242715	1	54	0.0	-68.29	398.57	7.34	-60.95
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020242715	1	54	0.0	-67.76	398.31	7.37	-60.39
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242723	0	57	0.0	-68.01	426.11	4.67	-63.34
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CC[N@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC1	REAL300020242735	0	47	0.0	-61.97	356.46	4.80	-57.17
CC[N@@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC1	REAL300020242735	1	47	0.0	-62.55	355.94	4.77	-57.78
CC[N@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC1	REAL300020242735	1	47	0.0	-61.97	356.52	4.82	-57.15
CC[N@@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC1	REAL300020242735	1	47	0.0	-62.55	355.99	4.78	-57.77
CC1=CC=C(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[NH+]2CCCC2)O1	REAL300020242742	0	54	0.0	-64.79	404.68	6.45	-58.34
CC[NH+]1CCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242745	0	50	0.0	-68.13	368.62	5.34	-62.79
CC[NH+]1CCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242745	1	50	0.0	-68.16	368.68	5.36	-62.80
CCCC[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242760	0	53	0.0	-66.55	391.36	6.14	-60.41
CCCC[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242760	1	53	0.0	-66.56	391.41	6.15	-60.41
CC1=[NH+]C=CN1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242763	1	42	0.0	-61.89	335.05	4.29	-57.60
CC1=[NH+]C=CN1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242763	1	42	0.0	-61.87	335.11	4.31	-57.56
COCC[N@H+](C)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242786	0	47	0.0	-65.91	358.14	2.56	-63.35
COCC[N@@H+](C)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242786	1	47	0.0	-65.87	358.28	2.56	-63.31
COCC[N@H+](C)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242786	1	47	0.0	-65.95	358.20	2.58	-63.37
COCC[N@@H+](C)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242786	1	47	0.0	-65.90	358.34	2.58	-63.32
CC[N@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C	REAL300020242807	0	49	0.0	-62.92	353.11	4.18	-58.74
CC[N@@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C	REAL300020242807	1	49	0.0	-63.52	355.62	4.25	-59.27
CC[N@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)C	REAL300020242807	1	49	0.0	-62.92	353.16	4.20	-58.72
CC[N@@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)C	REAL300020242807	1	49	0.0	-63.57	355.67	4.26	-59.31
CCC[NH+](CCC)CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242839	0	55	0.0	-66.40	407.54	6.36	-60.04
CCC[NH+](CCC)CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242839	1	55	0.0	-66.38	407.60	6.37	-60.01
CCC(C)[N@H+](C)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242841	0	49	0.0	-64.64	360.10	4.51	-60.13
CCC(C)[N@@H+](C)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242841	1	49	0.0	-64.41	357.22	4.46	-59.95
CCC(C)[N@H+](C)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242841	1	49	0.0	-64.67	360.16	4.52	-60.15
CCC(C)[N@@H+](C)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242841	1	49	0.0	-64.44	357.27	4.48	-59.96
C[NH+]1CCN(CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2)CC1	REAL300020242848	0	59	0.0	-68.44	445.57	6.42	-62.02
C[NH+]1CCN(CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2)CC1	REAL300020242848	1	59	0.0	-68.40	445.62	6.44	-61.96
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)CC1	REAL300020242852	0	59	0.0	-67.41	446.91	5.77	-61.64
C[NH+]1CCC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242864	0	50	0.0	-66.57	371.20	5.22	-61.35
C[NH+]1CCC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242864	1	50	0.0	-66.59	371.26	5.24	-61.35
COCC[NH+]1CCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242877	0	54	0.0	-68.29	401.22	4.53	-63.76
COCC[NH+]1CCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242877	1	54	0.0	-68.27	401.28	4.54	-63.73
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242878	0	57	0.0	-74.18	426.16	4.81	-69.37
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242878	1	57	0.0	-74.24	426.22	4.82	-69.42
C[NH+](C)C1CCCCC1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242879	0	50	0.0	-66.35	360.16	5.27	-61.08
C[NH+](C)C1CCCCC1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242879	1	50	0.0	-66.32	360.21	5.29	-61.03
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242882	1	54	0.0	-69.34	404.02	4.29	-65.05
O=C(NCC1CC[N@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242888	0	57	0.0	-72.61	434.81	8.32	-64.29
O=C(NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242888	1	57	0.0	-70.40	434.79	8.28	-62.12
O=C(NCC1CC[N@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242888	1	57	0.0	-72.61	434.87	8.33	-64.28
O=C(NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242888	1	57	0.0	-70.42	434.84	8.29	-62.13
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242893	0	57	0.0	-68.85	440.71	6.78	-62.07
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242893	1	57	0.0	-68.86	440.77	6.79	-62.07
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242901	0	56	0.0	-62.04	404.69	7.05	-54.99
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242901	1	56	0.0	-65.05	404.76	7.09	-57.96
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242901	1	56	0.0	-62.10	404.74	7.06	-55.04
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242901	1	56	0.0	-65.06	404.82	7.10	-57.96
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242903	0	53	0.0	-61.72	378.32	5.81	-55.91
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242903	1	53	0.0	-61.71	378.35	5.82	-55.89
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242903	1	53	0.0	-61.75	378.38	5.82	-55.93
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242903	1	53	0.0	-61.78	378.40	5.84	-55.94
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242911	0	51	0.0	-65.20	382.91	5.84	-59.36
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242911	1	51	0.0	-65.25	382.96	5.85	-59.40
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242914	0	61	0.0	-59.37	428.28	4.84	-54.53
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242914	1	61	0.0	-59.36	428.34	4.85	-54.51
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O=C(NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242918	1	58	0.0	-73.08	440.96	4.87	-68.21
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CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@H+](C)C1CC1	REAL300020242936	0	47	0.0	-62.69	349.65	4.71	-57.98
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@@H+](C)C1CC1	REAL300020242936	1	47	0.0	-60.59	349.67	4.76	-55.83
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@H+](C)C1CC1	REAL300020242936	1	47	0.0	-62.72	349.71	4.72	-58.00
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@@H+](C)C1CC1	REAL300020242936	1	47	0.0	-60.56	349.73	4.78	-55.78
CC(CN1CC[NH+](C)CC1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242939	0	52	0.0	-66.95	387.38	3.30	-63.65
CC(CN1CC[NH+](C)CC1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242939	1	52	0.0	-66.95	387.44	3.32	-63.63
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242951	0	55	0.0	-60.02	384.78	4.28	-55.74
O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242951	1	55	0.0	-60.03	384.84	4.29	-55.74
CC1CCCC(C)[NH+]1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242966	0	53	0.0	-61.30	379.21	5.27	-56.03
CC1CCCC(C)[NH+]1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242966	1	53	0.0	-61.31	379.26	5.28	-56.03
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242976	0	57	0.0	-69.18	439.65	6.89	-62.29
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242976	1	57	0.0	-69.16	439.71	6.91	-62.25
C[N@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCC1	REAL300020242979	0	50	0.0	-65.51	368.03	5.28	-60.23
C[N@@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCC1	REAL300020242979	1	50	0.0	-64.82	368.02	5.29	-59.53
C[N@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCC1	REAL300020242979	1	50	0.0	-65.46	368.09	5.29	-60.17
C[N@@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCC1	REAL300020242979	1	50	0.0	-64.86	368.08	5.30	-59.56
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CCCC[N@H+](C)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242997	0	49	0.0	-67.30	368.67	4.89	-62.41
CCCC[N@@H+](C)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242997	1	49	0.0	-66.15	368.67	4.90	-61.25
CCCC[N@H+](C)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242997	1	49	0.0	-67.36	368.73	4.91	-62.45
CCCC[N@@H+](C)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242997	1	49	0.0	-66.17	368.73	4.91	-61.26
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O=C(NC1CC[N@H+](CCN2CCOCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243025	1	57	0.0	-72.21	419.41	2.32	-69.89
O=C(NC1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243025	1	57	0.0	-70.70	420.55	2.48	-68.22
O=C(NCC1=CC=CC=C1C[NH+]1CCCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243031	0	60	0.0	-62.46	430.95	9.30	-53.16
O=C(NCC1=CC=CC=C1C[NH+]1CCCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243031	1	60	0.0	-62.56	431.01	9.32	-53.24
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243038	0	50	0.0	-62.56	356.40	4.98	-57.58
CC[N@H+]1CCCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243038	1	50	0.0	-62.80	357.48	4.84	-57.96
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243038	1	50	0.0	-62.54	356.45	4.99	-57.55
CC[N@H+]1CCCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243038	1	50	0.0	-62.79	357.54	4.85	-57.94
C[NH+](C)CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL300020243039	0	55	0.0	-65.19	394.82	6.10	-59.09
C[NH+](C)CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL300020243039	1	55	0.0	-65.26	394.88	6.11	-59.15
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243041	0	59	0.0	-59.90	413.33	7.00	-52.90
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243041	1	59	0.0	-59.84	406.02	6.96	-52.88
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243041	1	59	0.0	-59.95	413.39	7.02	-52.93
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243041	1	59	0.0	-59.86	406.07	6.97	-52.89
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243043	0	49	0.0	-69.08	355.66	2.15	-66.93
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243043	1	49	0.0	-65.95	355.26	2.06	-63.89
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243043	1	49	0.0	-69.11	355.72	2.17	-66.94
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243043	1	49	0.0	-65.96	355.32	2.07	-63.89
O=C(NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243044	0	58	0.0	-67.09	441.69	7.42	-59.67
O=C(NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243044	1	58	0.0	-67.10	441.75	7.43	-59.67
O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243058	0	58	0.0	-64.04	408.57	7.01	-57.03
O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243058	1	58	0.0	-64.02	408.63	7.03	-56.99
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)C1	REAL300020243060	0	60	0.0	-69.23	445.69	6.21	-63.02
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)C1	REAL300020243060	1	60	0.0	-68.17	445.51	6.19	-61.98
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)C1	REAL300020243060	1	60	0.0	-69.28	445.74	6.22	-63.06
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)C1	REAL300020243060	1	60	0.0	-68.16	445.57	6.21	-61.95
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C[NH+]1CCN(C)CC1	REAL300020243073	0	55	0.0	-65.81	403.04	3.62	-62.19
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C[NH+]1CCN(C)CC1	REAL300020243073	1	55	0.0	-65.87	403.10	3.64	-62.23
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020243074	0	58	0.0	-67.13	421.30	4.41	-62.72
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020243074	1	58	0.0	-67.10	421.36	4.43	-62.67
CCC[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020243076	0	50	0.0	-65.81	370.31	5.38	-60.43
CCC[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020243076	1	50	0.0	-65.83	370.37	5.40	-60.43
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300020243099	0	53	0.0	-66.10	395.10	6.96	-59.14
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300020243099	1	53	0.0	-68.34	395.16	6.93	-61.41
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300020243099	1	53	0.0	-66.13	395.16	6.97	-59.16
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300020243099	1	53	0.0	-68.36	395.21	6.95	-61.41
CC([NH2+]C(C)(C)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020243107	0	56	0.0	-64.37	408.72	6.09	-58.28
CC([NH2+]C(C)(C)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020243107	1	56	0.0	-64.38	408.78	6.10	-58.28
CC([NH2+]C1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1)C1=CC=CC=C1	REAL300020243108	0	60	0.0	-66.44	435.85	7.37	-59.07
CC([NH2+]C1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1)C1=CC=CC=C1	REAL300020243108	1	60	0.0	-66.48	435.91	7.39	-59.09
CCC(CC)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300020243109	0	62	0.0	-64.21	441.60	7.53	-56.68
CCC(CC)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300020243109	1	62	0.0	-64.21	441.66	7.55	-56.66
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020243117	0	57	0.0	-66.69	415.81	7.86	-58.83
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020243117	1	57	0.0	-66.73	415.87	7.88	-58.85
NC(=O)C1CCC[N@H+](CCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243131	0	54	0.0	-68.22	400.80	2.23	-65.99
NC(=O)C1CCC[N@@H+](CCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243131	1	54	0.0	-74.31	407.05	2.04	-72.27
NC(=O)C1CCC[N@H+](CCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243131	1	54	0.0	-68.24	400.86	2.25	-65.99
NC(=O)C1CCC[N@@H+](CCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243131	1	54	0.0	-74.29	407.10	2.06	-72.23
CN1CC[NH+](CCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020243136	0	55	0.0	-68.18	409.05	3.59	-64.59
CN1CC[NH+](CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020243136	1	55	0.0	-68.21	409.10	3.60	-64.61
O=C(NC1CC[NH+](CC2CCCO2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243144	0	55	0.0	-63.95	404.89	5.03	-58.92
O=C(NC1CC[NH+](CC2CCCO2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243144	1	55	0.0	-63.96	404.95	5.05	-58.91
O=C(NC(C[NH+]1CCCCC1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243145	0	57	0.0	-69.18	427.14	9.07	-60.11
O=C(NC(C[NH+]1CCCCC1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243145	1	57	0.0	-69.17	427.20	9.08	-60.09
O=C(NC1CC[N@@H+](C2CC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243146	0	45	0.0	-65.05	342.48	4.69	-60.36
O=C(NC1CC[N@H+](C2CC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243146	1	45	0.0	-64.58	344.56	4.73	-59.85
O=C(NC1CC[N@@H+](C2CC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243146	1	45	0.0	-65.08	342.53	4.71	-60.37
O=C(NC1CC[N@H+](C2CC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243146	1	45	0.0	-64.58	344.61	4.74	-59.84
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)CC1	REAL300020243147	0	56	0.0	-67.38	408.67	3.84	-63.54
CN1CCC([N@H+]2CCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)CC1	REAL300020243147	1	56	0.0	-67.11	409.00	3.82	-63.29
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020243148	0	57	0.0	-64.19	406.50	4.72	-59.47
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020243148	1	57	0.0	-64.21	406.55	4.74	-59.47
COC1CC[NH+](C2(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)CCCC2)CC1	REAL300020243149	0	61	0.0	-62.41	431.93	5.97	-56.44
COC1CC[NH+](C2(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)CCCC2)CC1	REAL300020243149	1	61	0.0	-62.40	431.99	5.98	-56.42
O=C(NCC1CCC[N@@H+]1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243160	0	54	0.0	-66.56	407.04	7.63	-58.93
O=C(NCC1CCC[N@H+]1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243160	1	54	0.0	-66.79	407.33	7.84	-58.95
O=C(NCC1CCC[N@@H+]1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243160	1	54	0.0	-66.57	407.09	7.64	-58.93
O=C(NCC1CCC[N@H+]1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243160	1	54	0.0	-66.79	407.39	7.85	-58.94
O=C(NC1CC[NH+](CC2CCOC2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243186	0	55	0.0	-70.84	403.67	4.70	-66.14
O=C(NC1CC[NH+](CC2CCOC2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243186	1	55	0.0	-70.86	403.73	4.71	-66.15
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243216	0	53	0.0	-63.09	377.42	5.50	-57.59
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243216	1	53	0.0	-63.63	384.42	5.70	-57.93
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243216	1	53	0.0	-63.14	377.48	5.52	-57.62
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243216	1	53	0.0	-63.67	384.48	5.71	-57.96
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CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC[NH+](C)CC1	REAL300020243265	0	50	0.0	-70.10	362.73	5.19	-64.91
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC[NH+](C)CC1	REAL300020243265	1	50	0.0	-70.12	362.79	5.21	-64.91
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COCC[N@@H+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243268	0	48	0.0	-66.98	362.77	3.37	-63.61
COCC[N@H+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243268	1	48	0.0	-66.51	365.62	3.08	-63.43
COCC[N@@H+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243268	1	48	0.0	-66.97	362.83	3.39	-63.58
COCC[N@H+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243268	1	48	0.0	-66.50	365.67	3.10	-63.40
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CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C[NH+]1CCOCC1	REAL300020243276	1	51	0.0	-68.98	377.96	3.79	-65.19
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COCCC[N@H+](C)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243375	1	50	0.0	-69.82	380.90	3.20	-66.62
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CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC[N@@H+]1C	REAL300020243377	0	47	0.0	-66.53	340.47	4.08	-62.45
CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC[N@H+]1C	REAL300020243377	1	47	0.0	-65.05	340.57	4.06	-60.99
CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC[N@@H+]1C	REAL300020243377	1	47	0.0	-66.52	340.53	4.10	-62.42
CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC[N@H+]1C	REAL300020243377	1	47	0.0	-65.10	340.63	4.08	-61.02
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CCC[N@H+](CC)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243399	0	49	0.0	-63.87	364.54	4.84	-59.03
CCC[N@@H+](CC)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243399	1	49	0.0	-65.26	364.52	4.82	-60.44
CCC[N@H+](CC)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243399	1	49	0.0	-63.87	364.60	4.86	-59.01
CCC[N@@H+](CC)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243399	1	49	0.0	-65.30	364.58	4.84	-60.46
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CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020243409	0	57	0.0	-66.37	424.44	8.06	-58.31
CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300020243409	1	57	0.0	-65.21	424.33	8.03	-57.18
CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020243409	1	57	0.0	-66.43	424.49	8.07	-58.36
CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300020243409	1	57	0.0	-65.23	424.39	8.04	-57.19
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C[N@@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC1=CC=C(F)C=C1	REAL300020243440	1	50	0.0	-75.63	391.06	6.36	-69.27
C[N@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC1=CC=C(F)C=C1	REAL300020243440	1	50	0.0	-75.58	391.07	6.38	-69.20
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CC(CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300020243450	1	56	0.0	-67.61	419.44	7.46	-60.15
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CC(CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300020243450	1	56	0.0	-67.59	419.50	7.47	-60.12
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CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020243480	0	57	0.0	-64.49	423.54	5.53	-58.96
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020243480	1	57	0.0	-64.55	423.60	5.55	-59.00
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243491	0	60	0.0	-68.82	440.21	8.56	-60.26
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243491	1	60	0.0	-68.86	440.27	8.57	-60.29
O=C(NC1CCCCC1[NH+]1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243499	1	55	0.0	-62.24	392.45	5.29	-56.95
O=C(NC1CCCCC1[NH+]1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243499	1	55	0.0	-62.26	392.51	5.30	-56.96
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)(C)C[NH+](C)C	REAL300020243560	0	52	0.0	-69.56	365.22	5.41	-64.15
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)(C)C[NH+](C)C	REAL300020243560	1	52	0.0	-69.61	365.27	5.42	-64.19
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243563	0	48	0.0	-61.88	364.65	5.32	-56.56
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243563	1	48	0.0	-59.67	360.30	5.69	-53.98
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243563	1	48	0.0	-61.94	364.70	5.34	-56.60
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243563	1	48	0.0	-59.67	360.36	5.71	-53.96
CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300020243565	0	54	0.0	-65.56	404.00	7.10	-58.46
CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C[N@H+]1CC1=CC=CC=C1	REAL300020243565	1	54	0.0	-68.87	404.10	7.07	-61.80
CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300020243565	1	54	0.0	-65.58	404.05	7.11	-58.47
CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C[N@H+]1CC1=CC=CC=C1	REAL300020243565	1	54	0.0	-68.88	404.16	7.09	-61.79
CC(C)CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300020243592	0	62	0.0	-70.25	453.65	8.50	-61.75
CC(C)CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300020243592	1	62	0.0	-70.27	453.71	8.52	-61.75
CCC(C[NH+]1CCCC1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243593	0	50	0.0	-68.06	364.69	5.36	-62.70
CCC(C[NH+]1CCCC1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243593	1	50	0.0	-68.12	364.75	5.38	-62.74
CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C[N@@H+]1C1CC1	REAL300020243596	0	48	0.0	-63.48	358.82	4.93	-58.55
CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C[N@H+]1C1CC1	REAL300020243596	1	48	0.0	-61.82	359.43	5.14	-56.68
CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C[N@@H+]1C1CC1	REAL300020243596	1	48	0.0	-63.54	358.87	4.95	-58.59
CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C[N@H+]1C1CC1	REAL300020243596	1	48	0.0	-61.80	359.49	5.17	-56.63
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CC1([NH+]2CCC2)CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020245710	1	54	0.0	-64.86	382.54	5.65	-59.21
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CC1([NH+]2CCOCC2)CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020245795	0	58	0.0	-68.14	399.14	4.93	-63.21
CC1([NH+]2CCOCC2)CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020245795	1	58	0.0	-68.12	399.20	4.95	-63.17
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245802	0	52	0.0	-64.42	383.70	5.88	-58.54
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245802	1	52	0.0	-64.40	383.76	5.90	-58.50
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CN(C)C1=CC=C(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[NH+](C)C)C=C1	REAL300020245819	1	58	0.0	-67.38	430.18	6.75	-60.63
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245825	0	60	0.0	-70.50	438.06	8.72	-61.78
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245825	1	60	0.0	-71.74	433.71	8.07	-63.67
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245825	1	60	0.0	-70.54	438.11	8.73	-61.81
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245825	1	60	0.0	-71.75	433.77	8.09	-63.66
CC1(C)CC[N@H+](CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020245846	0	50	0.0	-65.86	373.74	5.00	-60.86
CC1(C)CC[N@@H+](CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020245846	1	50	0.0	-64.70	373.83	4.99	-59.71
CC1(C)CC[N@H+](CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020245846	1	50	0.0	-65.87	373.79	5.02	-60.85
CC1(C)CC[N@@H+](CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020245846	1	50	0.0	-64.66	373.89	5.01	-59.65
CCC(C)[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020245866	0	53	0.0	-63.13	380.08	5.73	-57.40
CCC(C)[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020245866	1	53	0.0	-63.16	380.14	5.75	-57.41
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CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020245931	0	61	0.0	-58.54	428.24	4.80	-53.74
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C[N@@H+]1CC2CCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2C1	REAL300020245995	0	48	0.0	-65.70	354.79	4.89	-60.81
C[N@H+]1CC2CCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2C1	REAL300020245995	1	48	0.0	-67.27	349.16	5.71	-61.56
C[N@@H+]1CC2CCC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2C1	REAL300020245995	1	48	0.0	-65.72	354.85	4.90	-60.82
C[N@H+]1CC2CCC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2C1	REAL300020245995	1	48	0.0	-67.30	349.21	5.72	-61.58
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1C[N@H+](C)CCN1C	REAL300020246008	0	52	0.0	-70.27	370.09	2.78	-67.49
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1C[N@@H+](C)CCN1C	REAL300020246008	1	52	0.0	-69.98	378.84	2.81	-67.17
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1C[N@H+](C)CCN1C	REAL300020246008	1	52	0.0	-70.25	370.15	2.79	-67.46
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1C[N@@H+](C)CCN1C	REAL300020246008	1	52	0.0	-70.02	378.90	2.83	-67.19
CNC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=[NH+]1	REAL300020246009	1	43	0.0	-61.10	343.06	2.82	-58.28
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020246045	0	47	0.0	-68.15	379.52	5.63	-62.52
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020246045	1	47	0.0	-68.13	379.58	5.64	-62.49
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CC[NH+](C)CC1	REAL300020246059	0	52	0.0	-62.90	380.64	3.33	-59.57
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CC[NH+](C)CC1	REAL300020246059	1	52	0.0	-62.95	380.70	3.35	-59.60
CCC[NH+](CCC)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246069	0	52	0.0	-64.53	386.05	5.59	-58.94
CCC[NH+](CCC)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246069	1	52	0.0	-64.49	386.10	5.60	-58.89
CC[NH+](CC)CCC(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246095	0	52	0.0	-68.96	380.54	5.59	-63.37
CC[NH+](CC)CCC(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246095	1	52	0.0	-69.02	380.60	5.61	-63.41
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C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL300020246096	1	59	0.0	-70.44	443.58	6.32	-64.12
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246146	0	45	0.0	-65.05	345.76	2.28	-62.77
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246146	1	45	0.0	-66.30	345.89	2.25	-64.05
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246146	1	45	0.0	-65.07	345.82	2.30	-62.77
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C[N@H+]1CC[C@@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@@H]1C1=CC=CC=C1	REAL300020246196	1	51	0.0	-67.80	389.08	6.94	-60.86
C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@@H]1C1=CC=CC=C1	REAL300020246196	1	51	0.0	-67.64	381.54	6.21	-61.43
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C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020246242	0	51	0.0	-62.93	359.33	5.21	-57.72
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C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020246242	1	51	0.0	-62.97	359.39	5.23	-57.74
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020246242	1	51	0.0	-67.09	360.60	5.09	-62.00
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C[N@H+]1CC[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020246250	1	51	0.0	-72.69	405.83	7.53	-65.16
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C(=O)N2)C1	REAL300020246284	0	51	0.0	-91.52	395.02	3.58	-87.94
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C(=O)N2)C1	REAL300020246284	1	51	0.0	-92.47	395.10	3.61	-88.86
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C(=O)N2)C1	REAL300020246284	1	51	0.0	-91.48	395.08	3.60	-87.88
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C(=O)N2)C1	REAL300020246284	1	51	0.0	-92.45	395.16	3.63	-88.82
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246311	0	53	0.0	-61.18	383.23	6.28	-54.90
CCC[N@H+]1CCCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246311	1	53	0.0	-61.46	383.19	6.29	-55.17
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246311	1	53	0.0	-61.18	383.28	6.30	-54.88
CCC[N@H+]1CCCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246311	1	53	0.0	-61.48	383.25	6.30	-55.18
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CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)[NH2+]1	REAL300020246364	1	47	0.0	-68.49	345.23	2.84	-65.65
C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300020246374	1	51	0.0	-73.56	386.02	6.21	-67.35
C[N@H+]1CC[C@@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300020246374	1	51	0.0	-73.62	395.45	7.06	-66.56
C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300020246374	1	51	0.0	-73.53	386.08	6.22	-67.31
C[N@H+]1CC[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@@H]1C1=CC=C(F)C=C1	REAL300020246374	1	51	0.0	-73.61	395.50	7.08	-66.53
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CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246440	1	51	0.0	-62.65	395.18	6.29	-56.36
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246440	1	51	0.0	-62.66	395.24	6.30	-56.36
O=C(NCC(C1=CSC=C1)[NH+]1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246461	0	51	0.0	-63.06	387.41	6.19	-56.87
O=C(NCC(C1=CSC=C1)[NH+]1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246461	1	51	0.0	-63.05	387.47	6.20	-56.85
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246506	0	48	0.0	-73.20	361.29	2.81	-70.39
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246506	1	48	0.0	-73.22	361.35	2.83	-70.39
C[NH+](C)CCCCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246509	0	52	0.0	-66.79	393.95	5.85	-60.94
C[NH+](C)CCCCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246509	1	52	0.0	-66.75	394.01	5.87	-60.88
C[N@@H+]1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC12CCC2	REAL300020246510	0	48	0.0	-62.18	354.62	4.72	-57.46
C[N@H+]1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC12CCC2	REAL300020246510	1	48	0.0	-61.12	352.02	4.64	-56.48
C[N@@H+]1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC12CCC2	REAL300020246510	1	48	0.0	-62.17	354.67	4.73	-57.44
C[N@H+]1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC12CCC2	REAL300020246510	1	48	0.0	-61.13	352.07	4.66	-56.47
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C[NH+](C)[C@@H]1COC[C@H]1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246539	0	45	0.0	-65.08	340.16	2.08	-63.00
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246539	1	45	0.0	-65.12	340.22	2.09	-63.03
O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246548	0	54	0.0	-66.47	391.12	6.48	-59.99
O=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246548	1	54	0.0	-65.33	387.04	7.03	-58.30
O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246548	1	54	0.0	-66.48	391.18	6.50	-59.98
O=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246548	1	54	0.0	-65.35	387.10	7.05	-58.30
O=C(NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246552	0	58	0.0	-63.65	431.35	8.30	-55.35
O=C(NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246552	1	58	0.0	-62.00	431.79	8.30	-53.70
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O=C(NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246552	1	58	0.0	-62.00	431.85	8.31	-53.69
C[N@@H+]1CC2CC1CC2NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246559	0	45	0.0	-69.22	325.01	4.76	-64.46
C[N@H+]1CC2CC1CC2NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246559	1	45	0.0	-65.20	333.67	4.28	-60.92
C[N@@H+]1CC2CC1CC2NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246559	1	45	0.0	-69.26	325.07	4.78	-64.48
C[N@H+]1CC2CC1CC2NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246559	1	45	0.0	-65.22	333.72	4.30	-60.92
CCC1=[NH+]C=CN1CC(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246574	1	48	0.0	-62.23	369.11	5.50	-56.73
CCC1=[NH+]C=CN1CC(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246574	1	48	0.0	-62.24	369.17	5.52	-56.72
O=C(N[C@@H]1COC[C@H]1[NH+]1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246646	0	49	0.0	-63.98	357.48	2.71	-61.27
O=C(N[C@@H]1COC[C@H]1[NH+]1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246646	1	49	0.0	-64.04	357.54	2.73	-61.31
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020246693	0	53	0.0	-63.69	377.97	5.34	-58.35
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020246693	1	53	0.0	-62.27	377.90	5.39	-56.88
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020246693	1	53	0.0	-63.74	378.03	5.35	-58.39
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020246693	1	53	0.0	-62.30	377.96	5.40	-56.90
CN(C)C1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=[NH+]1	REAL300020246712	1	49	0.0	-60.45	382.31	5.40	-55.05
C[N@@H+]1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC12CCCC2	REAL300020246713	0	51	0.0	-59.12	367.44	5.40	-53.72
C[N@H+]1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC12CCCC2	REAL300020246713	1	51	0.0	-59.06	367.46	5.37	-53.69
C[N@@H+]1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC12CCCC2	REAL300020246713	1	51	0.0	-59.15	367.50	5.41	-53.74
C[N@H+]1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC12CCCC2	REAL300020246713	1	51	0.0	-59.10	367.52	5.38	-53.72
C[N@@H+]1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC12CCOCC2	REAL300020246734	0	52	0.0	-66.29	368.66	3.41	-62.88
C[N@H+]1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC12CCOCC2	REAL300020246734	1	52	0.0	-65.52	373.46	3.29	-62.23
C[N@@H+]1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC12CCOCC2	REAL300020246734	1	52	0.0	-66.32	368.71	3.42	-62.90
C[N@H+]1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC12CCOCC2	REAL300020246734	1	52	0.0	-65.57	373.52	3.30	-62.27
CC(C)[N@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC1=CC=CO1	REAL300020246738	0	53	0.0	-67.00	389.45	5.15	-61.85
CC(C)[N@@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC1=CC=CO1	REAL300020246738	1	53	0.0	-67.15	393.01	5.50	-61.65
O=C(NCC1CCC[N@@H+](C2CCCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246768	0	57	0.0	-64.48	410.90	7.20	-57.28
O=C(NCC1CCC[N@H+](C2CCCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246768	1	57	0.0	-64.02	405.45	7.20	-56.82
O=C(NCC1CCC[N@@H+](C2CCCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246768	1	57	0.0	-64.48	410.95	7.22	-57.26
O=C(NCC1CCC[N@H+](C2CCCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246768	1	57	0.0	-64.01	405.50	7.22	-56.79
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300020246803	1	52	0.0	-59.55	397.92	5.91	-53.64
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=[NH+]1	REAL300020246806	1	55	0.0	-57.75	410.75	6.45	-51.30
O=C(NCC1CCCC2=[NH+]C=CN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246820	1	46	0.0	-60.36	349.62	5.56	-54.80
O=C(NCC1CCCC2=[NH+]C=CN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246820	1	46	0.0	-60.36	349.68	5.57	-54.79
O=C(NCC1CCCC2=[NH+]C=CN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246923	1	46	0.0	-60.36	349.62	5.56	-54.80
O=C(NCC1CCCC2=[NH+]C=CN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246923	1	46	0.0	-60.36	349.68	5.57	-54.79
CC1(C)CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300020246948	0	57	0.0	-61.21	422.20	7.54	-53.67
CC1(C)CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C[N@H+]1CC1=CC=CC=C1	REAL300020246948	1	57	0.0	-61.63	426.78	7.79	-53.84
CC1(C)CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300020246948	1	57	0.0	-61.22	422.26	7.55	-53.67
CC1(C)CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C[N@H+]1CC1=CC=CC=C1	REAL300020246948	1	57	0.0	-61.65	426.83	7.80	-53.85
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020246968	0	53	0.0	-68.72	409.77	7.12	-61.60
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020246968	1	53	0.0	-68.71	409.83	7.14	-61.57
O=C(NC1CCCC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246974	0	57	0.0	-70.29	417.76	8.00	-62.29
O=C(NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246974	1	57	0.0	-70.49	417.99	8.06	-62.43
O=C(NC1CCCC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246974	1	57	0.0	-70.27	417.81	8.02	-62.25
O=C(NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246974	1	57	0.0	-70.45	418.05	8.07	-62.38
CCC[N@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C	REAL300020246998	0	52	0.0	-64.25	374.53	4.93	-59.32
CCC[N@@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C	REAL300020246998	1	52	0.0	-64.44	373.97	4.98	-59.46
CCC[N@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)C	REAL300020246998	1	52	0.0	-64.24	374.59	4.94	-59.30
CCC[N@@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)C	REAL300020246998	1	52	0.0	-64.45	374.03	4.99	-59.46
C[N@@H+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)(C)C1	REAL300020247021	0	50	0.0	-63.92	359.45	5.65	-58.27
C[N@H+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)(C)C1	REAL300020247021	1	50	0.0	-64.05	359.42	5.66	-58.39
C[N@@H+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)(C)C1	REAL300020247021	1	50	0.0	-63.93	359.51	5.67	-58.26
C[N@H+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)(C)C1	REAL300020247021	1	50	0.0	-64.00	359.48	5.67	-58.33
C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020247022	0	47	0.0	-65.98	351.80	4.99	-60.99
C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020247022	1	47	0.0	-66.03	351.86	5.00	-61.03
C[NH+](C)CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247046	0	53	0.0	-71.21	406.21	4.25	-66.96
C[NH+](C)CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247046	1	53	0.0	-71.15	406.28	4.25	-66.90
COC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247190	0	53	0.0	-74.18	405.23	3.82	-70.36
COC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247190	1	53	0.0	-74.15	405.30	3.82	-70.33
C[NH+]1CCN(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)CC1	REAL300020247238	0	55	0.0	-63.35	413.26	4.11	-59.24
C[NH+]1CCN(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)CC1	REAL300020247238	1	55	0.0	-63.39	413.33	4.11	-59.28
O=C(NC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247321	0	53	0.0	-67.77	400.11	5.56	-62.21
O=C(NC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247321	1	53	0.0	-67.77	400.18	5.57	-62.20
CC[NH+](CC)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247322	0	55	0.0	-67.43	410.66	5.81	-61.62
CC[NH+](CC)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247322	1	55	0.0	-67.45	410.72	5.83	-61.62
O=C(NC1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247323	0	56	0.0	-67.96	417.40	6.31	-61.65
O=C(NC1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247323	1	56	0.0	-67.99	417.46	6.33	-61.66
C[NH+](C)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247324	0	49	0.0	-69.49	375.89	4.45	-65.04
C[NH+](C)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247324	1	49	0.0	-69.51	375.94	4.47	-65.04
C[NH+](C)CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247337	0	53	0.0	-71.84	406.08	4.29	-67.55
C[NH+](C)CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247337	1	53	0.0	-71.80	406.13	4.30	-67.50
O=C(NC1=CC=C(CC[NH+]2CCCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247424	0	56	0.0	-73.01	424.65	6.54	-66.47
O=C(NC1=CC=C(CC[NH+]2CCCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247424	1	56	0.0	-73.02	424.70	6.56	-66.46
C[N@@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1	REAL300020247431	1	47	0.0	-73.87	362.19	4.05	-69.82
C[N@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1	REAL300020247431	1	47	0.0	-73.69	362.18	4.05	-69.64
C[N@@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1	REAL300020247431	1	47	0.0	-73.86	362.26	4.06	-69.80
C[N@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1	REAL300020247431	1	47	0.0	-73.68	362.25	4.06	-69.62
CCC[N@@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2C1	REAL300020247503	1	53	0.0	-63.74	401.85	5.59	-58.15
CCC[N@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2C1	REAL300020247503	1	53	0.0	-62.94	402.69	5.53	-57.41
CCC[N@@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2C1	REAL300020247503	1	53	0.0	-63.74	401.91	5.60	-58.14
CCC[N@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2C1	REAL300020247503	1	53	0.0	-62.89	402.76	5.54	-57.35
C[NH+](C)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247505	0	52	0.0	-74.44	398.32	5.30	-69.14
C[NH+](C)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247505	1	52	0.0	-74.46	398.38	5.31	-69.15
O=C(NC1=NN(C2=CC=[NH+]C=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247562	1	44	0.0	-75.88	354.98	3.30	-72.58
O=C(NC1=NN(C2=CC=[NH+]C=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247562	1	44	0.0	-75.89	354.93	3.29	-72.60
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247685	0	52	0.0	-69.48	393.71	5.31	-64.17
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247685	1	52	0.0	-69.52	393.77	5.33	-64.19
C[NH+](C)CCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247793	0	49	0.0	-75.38	379.92	3.33	-72.05
C[NH+](C)CCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247793	1	49	0.0	-75.43	379.87	3.32	-72.11
O=C(NC1=CC=CC(CC[NH+]2CCCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247812	0	56	0.0	-70.29	423.55	6.42	-63.87
O=C(NC1=CC=CC(CC[NH+]2CCCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247812	1	56	0.0	-70.33	423.61	6.44	-63.89
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(N(C)C)=[NH+]1	REAL300020247878	1	48	0.0	-57.19	372.00	2.33	-54.86
C[N@H+](CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1)C1CC1	REAL300020247910	0	56	0.0	-68.96	427.59	6.71	-62.25
C[N@@H+](CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1)C1CC1	REAL300020247910	1	56	0.0	-69.49	427.59	6.71	-62.78
C[N@H+](CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1)C1CC1	REAL300020247910	1	56	0.0	-69.02	427.64	6.72	-62.30
C[N@@H+](CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1)C1CC1	REAL300020247910	1	56	0.0	-69.55	427.65	6.71	-62.84
CC[NH+](CC)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248064	0	55	0.0	-69.90	410.68	5.81	-64.09
CC[NH+](CC)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248064	1	55	0.0	-69.91	410.75	5.83	-64.08
C[NH+](C)CCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248081	0	52	0.0	-56.54	394.84	5.51	-51.03
C[NH+](C)CCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248081	1	52	0.0	-56.54	394.92	5.52	-51.02
C[NH+](C)CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020248148	1	49	0.0	-64.03	390.16	5.03	-59.00
C[NH+](C)CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020248148	1	49	0.0	-64.05	390.23	5.05	-59.00
C[NH+]1CCC(N2C=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=N2)CC1	REAL300020248152	0	53	0.0	-81.57	400.90	4.25	-77.32
C[NH+]1CCC(N2C=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=N2)CC1	REAL300020248152	1	53	0.0	-81.63	400.84	4.24	-77.39
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C[NH+](C)C	REAL300020248361	0	52	0.0	-72.96	392.15	5.22	-67.74
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C[NH+](C)C	REAL300020248361	1	52	0.0	-72.96	392.22	5.23	-67.73
C[NH+]1CCC(N2C=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=N2)CC1	REAL300020248578	0	53	0.0	-76.22	401.10	3.32	-72.90
C[NH+]1CCC(N2C=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=N2)CC1	REAL300020248578	1	53	0.0	-76.21	401.04	3.33	-72.88
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248725	0	56	0.0	-53.57	414.53	6.60	-46.97
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248725	1	56	0.0	-53.58	414.60	6.60	-46.98
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248814	0	53	0.0	-58.45	405.56	4.32	-54.13
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248814	1	53	0.0	-58.42	405.61	4.33	-54.09
C[N@@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1	REAL300020248883	0	50	0.0	-72.92	379.68	4.88	-68.04
C[N@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1	REAL300020248883	1	50	0.0	-72.28	379.14	4.95	-67.33
C[N@@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1	REAL300020248883	1	50	0.0	-72.96	379.74	4.88	-68.08
C[N@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1	REAL300020248883	1	50	0.0	-72.30	379.19	4.96	-67.34
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248924	1	47	0.0	-59.34	363.62	3.14	-56.20
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248924	1	47	0.0	-59.31	363.69	3.13	-56.18
O=C(NC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249255	0	56	0.0	-58.12	415.78	6.83	-51.29
O=C(NC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249255	1	56	0.0	-58.13	415.84	6.84	-51.29
CC[NH+](CC)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249256	0	58	0.0	-56.65	421.47	6.77	-49.88
CC[NH+](CC)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249256	1	58	0.0	-56.66	421.51	6.77	-49.89
C[NH+](C)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249257	0	52	0.0	-59.72	391.53	5.73	-53.99
C[NH+](C)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249257	1	52	0.0	-59.71	391.58	5.74	-53.97
C[N@@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020249332	1	50	0.0	-70.79	376.91	5.31	-65.48
C[N@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020249332	1	50	0.0	-67.54	376.90	5.31	-62.23
C[N@@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020249332	1	50	0.0	-70.79	376.96	5.33	-65.46
C[N@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020249332	1	50	0.0	-67.56	376.96	5.33	-62.23
CCC[N@@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C1	REAL300020249382	1	56	0.0	-58.30	417.02	6.80	-51.50
CCC[N@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C1	REAL300020249382	1	56	0.0	-64.94	415.91	6.73	-58.21
CCC[N@@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C1	REAL300020249382	1	56	0.0	-58.36	417.07	6.82	-51.54
CCC[N@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C1	REAL300020249382	1	56	0.0	-64.99	415.96	6.73	-58.26
C[NH+](C)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249384	0	55	0.0	-70.48	413.98	6.57	-63.91
C[NH+](C)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249384	1	55	0.0	-70.50	414.04	6.57	-63.93
O=C(NC1=NN(C2=CC=[NH+]C=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249421	1	47	0.0	-71.21	369.66	4.68	-66.53
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249501	0	55	0.0	-66.81	408.70	6.54	-60.27
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249501	1	55	0.0	-66.79	408.75	6.54	-60.25
C[NH+](C)CCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249586	0	52	0.0	-70.97	394.70	4.67	-66.30
C[NH+](C)CCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249586	1	52	0.0	-70.99	394.64	4.68	-66.31
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(N(C)C)=[NH+]1	REAL300020249653	1	51	0.0	-53.21	387.02	3.53	-49.68
CC[NH+](CC)CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249784	0	58	0.0	-65.75	421.45	6.76	-58.99
CC[NH+](CC)CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249784	1	58	0.0	-65.76	421.52	6.77	-58.99
C[NH+](C)CCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249796	0	55	0.0	-54.05	408.70	6.80	-47.25
C[NH+](C)CCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249796	1	55	0.0	-54.07	408.76	6.81	-47.26
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C[NH+](C)C	REAL300020249999	0	55	0.0	-68.05	408.15	6.39	-61.66
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C[NH+](C)C	REAL300020249999	1	55	0.0	-68.03	408.20	6.40	-61.63
C[N@@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020250388	0	53	0.0	-70.91	394.14	6.18	-64.73
C[N@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020250388	1	53	0.0	-65.50	393.62	6.17	-59.33
C[N@@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020250388	1	53	0.0	-70.84	394.20	6.18	-64.66
C[N@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020250388	1	53	0.0	-65.47	393.68	6.17	-59.30
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250417	1	50	0.0	-57.57	379.29	4.20	-53.37
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250417	1	50	0.0	-57.57	379.35	4.19	-53.38
O=C(CCC1=N[N-]N=N1)N1CC2(CC[NH2+]CC2)[C@H]2COC[C@H]21	REAL300020251296	0	44	0.0	-75.42	323.98	1.74	-73.68
O=C(CCC1=NN=N[N-]1)N1CC2(CC[NH2+]CC2)[C@H]2COC[C@H]21	REAL300020251296	1	44	0.0	-75.43	324.04	1.75	-73.68
[NH3+][C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=CC=C1F	REAL300020251297	0	39	0.0	-70.94	321.62	2.73	-68.21
[NH3+][C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=CC=C1F	REAL300020251297	1	39	0.0	-70.98	321.68	2.75	-68.23
[NH3+]CC1=CN(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)N=N1	REAL300020251299	0	41	0.0	-75.55	329.98	0.24	-75.31
[NH3+]CC1=CN(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)N=N1	REAL300020251299	1	41	0.0	-75.67	330.03	0.25	-75.42
[NH3+]C1CCCOC1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020251300	0	46	0.0	-81.44	341.89	1.77	-79.67
[NH3+]C1CCCOC1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020251300	1	46	0.0	-81.45	341.95	1.79	-79.66
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1OCCN1CC[NH2+]CC1	REAL300020251301	0	48	0.0	-63.58	377.63	1.53	-62.05
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1OCCN1CC[NH2+]CC1	REAL300020251301	1	48	0.0	-63.60	377.68	1.56	-62.04
[NH3+][C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=CC(F)=C1	REAL300020251302	0	39	0.0	-71.66	323.43	2.86	-68.80
[NH3+][C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=CC(F)=C1	REAL300020251302	1	39	0.0	-71.67	323.49	2.87	-68.80
[NH3+]C1CCOC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C1	REAL300020251303	0	46	0.0	-77.59	344.66	1.75	-75.84
[NH3+]C1CCOC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C1	REAL300020251303	1	46	0.0	-77.64	344.71	1.76	-75.88
O=C(CCC1=N[N-]N=N1)N1CCC2C(C1)NC(=O)N2C1CC[NH2+]CC1	REAL300020251304	0	49	0.0	-70.74	368.98	0.84	-69.90
O=C(CCC1=NN=N[N-]1)N1CCC2C(C1)NC(=O)N2C1CC[NH2+]CC1	REAL300020251304	1	49	0.0	-70.74	369.04	0.86	-69.88
O=C(CCC1=NN=N[N-]1)NC1=NC=C(C2CC[NH2+]CC2)S1	REAL300020251305	0	38	0.0	-77.31	321.32	2.86	-74.45
O=C(CCC1=N[N-]N=N1)NC1=NC=C(C2CC[NH2+]CC2)S1	REAL300020251305	1	38	0.0	-77.31	321.26	2.85	-74.46
O=C(CCC1=N[N-]N=N1)NC1=NC(C2CC[NH2+]CC2)=CS1	REAL300020251306	0	38	0.0	-69.87	316.89	2.08	-67.79
O=C(CCC1=NN=N[N-]1)NC1=NC(C2CC[NH2+]CC2)=CS1	REAL300020251306	1	38	0.0	-69.88	316.94	2.10	-67.78
O=C(CCC1=N[N-]N=N1)NCC1=CC(C2CC[NH2+]CC2)=NO1	REAL300020251308	0	41	0.0	-72.33	334.67	1.63	-70.70
O=C(CCC1=NN=N[N-]1)NCC1=CC(C2CC[NH2+]CC2)=NO1	REAL300020251308	1	41	0.0	-72.35	334.73	1.64	-70.71
[NH3+]C1CCOC(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020251309	0	46	0.0	-70.04	346.15	1.67	-68.37
[NH3+]C1CCOC(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020251309	1	46	0.0	-70.09	346.21	1.68	-68.41
[NH3+]C1CCOC(C2CCCCN2C(=O)CCC2=N[N-]N=N2)C1	REAL300020251310	0	46	0.0	-63.98	330.48	3.01	-60.97
[NH3+]C1CCOC(C2CCCCN2C(=O)CCC2=NN=N[N-]2)C1	REAL300020251310	1	46	0.0	-63.99	330.54	3.02	-60.97
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=CC=C1	REAL300020251312	0	42	0.0	-70.47	325.41	4.67	-65.80
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=CC=C1	REAL300020251312	1	42	0.0	-70.45	325.47	4.69	-65.76
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020251313	0	42	0.0	-76.94	338.19	4.73	-72.21
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020251313	1	42	0.0	-76.95	338.25	4.75	-72.20
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=CC(F)=C1	REAL300020251314	0	42	0.0	-71.97	331.94	4.66	-67.31
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=CC(F)=C1	REAL300020251314	1	42	0.0	-71.98	332.00	4.68	-67.30
CCOC1=CC=C([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020251315	0	49	0.0	-73.98	376.76	4.91	-69.07
CCOC1=CC=C([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020251315	1	49	0.0	-74.00	376.82	4.92	-69.08
COC1=CC=C([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020251316	0	46	0.0	-72.75	354.88	3.99	-68.76
COC1=CC=C([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020251316	1	46	0.0	-72.76	354.94	4.01	-68.75
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=C(F)C=C1	REAL300020251317	0	42	0.0	-74.93	331.80	4.74	-70.19
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=C(F)C=C1	REAL300020251317	1	42	0.0	-74.96	331.85	4.76	-70.20
COC1=CC=C([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2=N[N-]N=N2)C=C1F	REAL300020251318	0	46	0.0	-75.11	361.25	3.98	-71.13
COC1=CC=C([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2=NN=N[N-]2)C=C1F	REAL300020251318	1	46	0.0	-75.12	361.31	3.99	-71.13
O=C(CCC1=N[N-]N=N1)NCC1=CN(C2CC[NH2+]CC2)N=N1	REAL300020251319	0	41	0.0	-82.34	334.32	0.02	-82.32
O=C(CCC1=NN=N[N-]1)NCC1=CN(C2CC[NH2+]CC2)N=N1	REAL300020251319	1	41	0.0	-82.37	334.37	0.04	-82.33
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	REAL300020251320	0	45	0.0	-76.72	338.85	1.67	-75.05
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	REAL300020251320	1	45	0.0	-76.73	338.91	1.69	-75.04
O=C(CCC1=N[N-]N=N1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	REAL300020251321	0	45	0.0	-94.24	348.26	2.36	-91.88
O=C(CCC1=NN=N[N-]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	REAL300020251321	1	45	0.0	-94.24	348.32	2.38	-91.86
CCN(C(=O)CCC1=N[N-]N=N1)C(C)CC(=O)N1CC[NH2+]CC1	REAL300020251322	0	48	0.0	-82.78	359.44	3.80	-78.98
CCN(C(=O)CCC1=NN=N[N-]1)C(C)CC(=O)N1CC[NH2+]CC1	REAL300020251322	1	48	0.0	-82.75	359.50	3.82	-78.93
[NH3+]CC1CN(C(=O)CCC2=N[N-]N=N2)CCC1C(F)(F)F	REAL300020251323	0	38	0.0	-69.34	304.33	1.51	-67.83
[NH3+]CC1CN(C(=O)CCC2=NN=N[N-]2)CCC1C(F)(F)F	REAL300020251323	1	38	0.0	-69.34	304.38	1.52	-67.82
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2C[NH2+]CCO2)C=C1	REAL300020251324	0	40	0.0	-70.82	325.51	1.97	-68.85
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2C[NH2+]CCO2)C=C1	REAL300020251324	1	40	0.0	-70.82	325.56	1.99	-68.83
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=CC(N3CC[NH2+]CC3)=NN2)C1	REAL300020251325	0	51	0.0	-71.35	391.34	2.62	-68.73
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=CC(N3CC[NH2+]CC3)=NN2)C1	REAL300020251325	1	51	0.0	-71.31	391.39	2.63	-68.68
C[NH2+]CCCC(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020251326	0	48	0.0	-71.12	378.27	2.00	-69.12
C[NH2+]CCCC(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020251326	1	48	0.0	-71.12	378.33	2.01	-69.11
[NH3+]CC1=CN(C2=CC=CC(CNC(=O)CCC3=N[N-]N=N3)=C2)N=N1	REAL300020251327	0	41	0.0	-81.92	351.37	0.56	-81.36
[NH3+]CC1=CN(C2=CC=CC(CNC(=O)CCC3=NN=N[N-]3)=C2)N=N1	REAL300020251327	1	41	0.0	-81.90	351.43	0.57	-81.33
O=C(CCC1=N[N-]N=N1)N1CCC(COC2CC[NH2+]C2)CC1	REAL300020251328	0	46	0.0	-66.72	354.20	3.04	-63.68
O=C(CCC1=NN=N[N-]1)N1CCC(COC2CC[NH2+]C2)CC1	REAL300020251328	1	46	0.0	-66.73	354.25	3.06	-63.67
O=C(CCC1=N[N-]N=N1)NC1=CC(N2CC[NH2+]CC2)=CC=N1	REAL300020251329	1	40	0.0	-78.79	319.52	1.13	-77.66
O=C(CCC1=NN=N[N-]1)NC1=CC(N2CC[NH2+]CC2)=CC=N1	REAL300020251329	1	40	0.0	-78.78	319.57	1.14	-77.64
COC1=CC=C([C@@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@H]2[NH3+])C=C1	REAL300020251330	0	43	0.0	-76.64	346.05	2.01	-74.63
COC1=CC=C([C@@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@H]2[NH3+])C=C1	REAL300020251330	1	43	0.0	-76.65	346.11	2.03	-74.62
O=C(CCC1=N[N-]N=N1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	REAL300020251331	0	42	0.0	-87.23	334.23	1.55	-85.68
O=C(CCC1=NN=N[N-]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	REAL300020251331	1	42	0.0	-87.22	334.29	1.56	-85.66
COC1=CC=C(C2C[NH2+]CCN2C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020251332	0	43	0.0	-74.10	334.30	3.02	-71.08
COC1=CC=C(C2C[NH2+]CCN2C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020251332	1	43	0.0	-74.11	334.35	3.04	-71.07
COC1=CC=CC(C2C[NH2+]CCN2C(=O)CCC2=N[N-]N=N2)=C1	REAL300020251333	0	43	0.0	-73.47	333.84	3.04	-70.43
COC1=CC=CC(C2C[NH2+]CCN2C(=O)CCC2=NN=N[N-]2)=C1	REAL300020251333	1	43	0.0	-73.50	333.90	3.05	-70.45
O=C(CCC1=NN=N[N-]1)NC1=CN=C(N2CC[NH2+]CC2)N=C1	REAL300020251334	0	39	0.0	-69.85	317.51	1.01	-68.84
O=C(CCC1=N[N-]N=N1)NC1=CN=C(N2CC[NH2+]CC2)N=C1	REAL300020251334	1	39	0.0	-69.86	317.45	1.00	-68.86
O=C(CCC1=N[N-]N=N1)N1CCC2=C(N=CN2)C12CC[NH2+]CC2	REAL300020251335	0	43	0.0	-53.51	318.26	2.66	-50.85
O=C(CCC1=NN=N[N-]1)N1CCC2=C(N=CN2)C12CC[NH2+]CC2	REAL300020251335	1	43	0.0	-53.52	318.32	2.67	-50.85
O=C(CCC1=N[N-]N=N1)N1CCC2=C(NC=N2)C12CC[NH2+]CC2	REAL300020251335	1	43	0.0	-62.20	318.28	2.66	-59.54
O=C(CCC1=NN=N[N-]1)N1CCC2=C(NC=N2)C12CC[NH2+]CC2	REAL300020251335	1	43	0.0	-62.17	318.33	2.67	-59.50
[NH3+]C(CC1CCCN(C(=O)CCC2=N[N-]N=N2)C1)C1CCCC1	REAL300020251336	0	51	0.0	-72.03	368.17	4.66	-67.37
[NH3+]C(CC1CCCN(C(=O)CCC2=NN=N[N-]2)C1)C1CCCC1	REAL300020251336	1	51	0.0	-72.07	368.22	4.67	-67.40
O=C(CCC1=N[N-]N=N1)NC1CC2(CC[NH2+]CC2)OC2=CC=CC=C21	REAL300020251338	0	47	0.0	-72.61	357.61	3.22	-69.39
O=C(CCC1=NN=N[N-]1)NC1CC2(CC[NH2+]CC2)OC2=CC=CC=C21	REAL300020251338	1	47	0.0	-72.64	357.67	3.24	-69.40
O=C(CCC1=N[N-]N=N1)NC1=CC=C2NC(C3CC[NH2+]CC3)=NC2=C1	REAL300020251339	0	45	0.0	-84.08	359.67	2.79	-81.29
O=C(CCC1=NN=N[N-]1)NC1=CC=C2NC(C3CC[NH2+]CC3)=NC2=C1	REAL300020251339	1	45	0.0	-84.10	359.73	2.81	-81.29
O=C(CCC1=N[N-]N=N1)N1CCC2(CC1)C[NH2+]CC1=CC=CC=C1O2	REAL300020251340	0	47	0.0	-73.61	346.40	4.19	-69.42
O=C(CCC1=NN=N[N-]1)N1CCC2(CC1)C[NH2+]CC1=CC=CC=C1O2	REAL300020251340	1	47	0.0	-73.61	346.46	4.21	-69.40
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(CN2CC[NH2+]CC2)C=C1	REAL300020251341	0	47	0.0	-68.88	373.01	1.66	-67.22
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(CN2CC[NH2+]CC2)C=C1	REAL300020251341	1	47	0.0	-68.84	373.06	1.67	-67.17
[NH3+]CCN(CC1=CC=CC(Cl)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020251342	0	38	0.0	-69.70	330.92	3.60	-66.10
[NH3+]CCN(CC1=CC=CC(Cl)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020251342	1	38	0.0	-69.69	330.97	3.62	-66.07
COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020251343	0	42	0.0	-67.66	333.59	1.95	-65.71
COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020251343	1	42	0.0	-67.64	333.65	1.96	-65.68
O=C(CCC1=N[N-]N=N1)N1CCC([NH+]2C3CCC2CNC3)CC1	REAL300020251344	0	48	0.0	-58.25	344.62	3.15	-55.10
O=C(CCC1=NN=N[N-]1)N1CCC([NH+]2C3CCC2CNC3)CC1	REAL300020251344	1	48	0.0	-58.25	344.68	3.16	-55.09
O=C(CCC1=N[N-]N=N1)NCC1CC2(CC[NH2+]CC2)C(=O)O1	REAL300020251346	0	42	0.0	-81.91	332.55	1.44	-80.47
O=C(CCC1=NN=N[N-]1)NCC1CC2(CC[NH2+]CC2)C(=O)O1	REAL300020251346	1	42	0.0	-81.95	332.61	1.45	-80.50
O=C(CCC1=N[N-]N=N1)N1CCC2=C(N=CN2)C12CC[NH2+]C2	REAL300020251347	0	40	0.0	-54.74	304.70	2.12	-52.62
O=C(CCC1=NN=N[N-]1)N1CCC2=C(N=CN2)C12CC[NH2+]C2	REAL300020251347	1	40	0.0	-54.77	304.76	2.13	-52.64
O=C(CCC1=N[N-]N=N1)N1CCC2=C(NC=N2)C12CC[NH2+]C2	REAL300020251347	1	40	0.0	-56.99	304.45	2.50	-54.49
O=C(CCC1=NN=N[N-]1)N1CCC2=C(NC=N2)C12CC[NH2+]C2	REAL300020251347	1	40	0.0	-57.01	304.50	2.51	-54.50
[NH3+]CC1CC2=CC(F)=CC=C2N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251349	0	39	0.0	-78.99	312.13	3.21	-75.78
[NH3+]CC1CC2=CC(F)=CC=C2N(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251349	1	39	0.0	-79.00	312.19	3.23	-75.77
[NH3+]C[C@]1(C2=CC=CC=C2)C[C@@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020251350	0	42	0.0	-71.13	336.23	2.37	-68.76
[NH3+]C[C@]1(C2=CC=CC=C2)C[C@@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020251350	1	42	0.0	-71.11	336.29	2.39	-68.72
O=C(CCC1=N[N-]N=N1)N1CC(CC2COCC[NH2+]2)C2=CC=CC=C21	REAL300020251351	0	47	0.0	-77.50	357.69	4.28	-73.22
O=C(CCC1=NN=N[N-]1)N1CC(CC2COCC[NH2+]2)C2=CC=CC=C21	REAL300020251351	1	47	0.0	-77.54	357.75	4.30	-73.24
[NH3+]CCC1CC2=CC=CC=C2N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251352	0	42	0.0	-76.22	326.95	3.78	-72.44
[NH3+]CCC1CC2=CC=CC=C2N(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251352	1	42	0.0	-76.21	327.01	3.79	-72.42
[NH3+]C1CC2(CCN(C(=O)CCC3=N[N-]N=N3)CC2)OC2=CC=CC=C21	REAL300020251354	0	47	0.0	-79.72	356.77	3.49	-76.23
[NH3+]C1CC2(CCN(C(=O)CCC3=NN=N[N-]3)CC2)OC2=CC=CC=C21	REAL300020251354	1	47	0.0	-79.72	356.83	3.51	-76.21
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=N1)C1CC[NH2+]CC1	REAL300020251355	0	44	0.0	-72.02	342.93	4.23	-67.79
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=N1)C1CC[NH2+]CC1	REAL300020251355	1	44	0.0	-72.02	342.98	4.25	-67.77
[NH3+]CC1(C2=CC=CC=C2)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020251356	0	45	0.0	-74.72	336.29	3.72	-71.00
[NH3+]CC1(C2=CC=CC=C2)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020251356	1	45	0.0	-74.72	336.35	3.73	-70.99
CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020251357	0	54	0.0	-73.38	404.19	7.61	-65.77
CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020251357	1	54	0.0	-73.37	404.25	7.63	-65.74
O=C(CCC1=N[N-]N=N1)N1CCC(C2CCC[NH2+]CC2)CC1	REAL300020251358	0	48	0.0	-70.17	342.29	4.44	-65.73
O=C(CCC1=NN=N[N-]1)N1CCC(C2CCC[NH2+]CC2)CC1	REAL300020251358	1	48	0.0	-70.16	342.35	4.45	-65.71
O=C(CCC1=N[N-]N=N1)NC1CC2(CC[NH2+]C2)OC2=CC=CC=C21	REAL300020251360	0	44	0.0	-73.39	342.94	2.45	-70.94
O=C(CCC1=NN=N[N-]1)NC1CC2(CC[NH2+]C2)OC2=CC=CC=C21	REAL300020251360	1	44	0.0	-73.37	343.00	2.47	-70.90
O=C(CCC1=N[N-]N=N1)N1CCCC(C23CCC2CC[NH2+]3)C1	REAL300020251361	0	46	0.0	-66.19	337.69	4.64	-61.55
O=C(CCC1=NN=N[N-]1)N1CCCC(C23CCC2CC[NH2+]3)C1	REAL300020251361	1	46	0.0	-66.21	337.75	4.65	-61.56
[NH3+]CCC1=CC=C2C(=C1)CCCN2C(=O)CCC1=N[N-]N=N1	REAL300020251362	0	42	0.0	-76.18	330.41	3.98	-72.20
[NH3+]CCC1=CC=C2C(=C1)CCCN2C(=O)CCC1=NN=N[N-]1	REAL300020251362	1	42	0.0	-76.19	330.47	4.00	-72.19
[NH3+]C1(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)CCOCC1	REAL300020251363	0	43	0.0	-74.45	332.85	1.38	-73.07
[NH3+]C1(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)CCOCC1	REAL300020251363	1	43	0.0	-74.44	332.91	1.39	-73.05
COC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)CC12CC[NH2+]CC2	REAL300020251364	0	45	0.0	-70.71	345.01	2.93	-67.78
COC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)CC12CC[NH2+]CC2	REAL300020251364	1	45	0.0	-70.73	345.06	2.95	-67.78
[NH3+]CCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020251365	0	38	0.0	-82.32	325.11	0.79	-81.53
[NH3+]CCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020251365	1	38	0.0	-82.31	325.07	0.79	-81.52
[NH3+]CCCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020251366	0	41	0.0	-82.39	346.61	1.58	-80.81
[NH3+]CCCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020251366	1	41	0.0	-82.43	346.57	1.58	-80.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC2(C1)CC[NH2+]CC2	REAL300020251367	0	41	0.0	-68.40	329.62	2.86	-65.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC2(C1)CC[NH2+]CC2	REAL300020251367	1	41	0.0	-68.38	329.66	2.87	-65.51
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL300020251369	0	43	0.0	-75.66	346.63	4.06	-71.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL300020251369	1	43	0.0	-75.63	346.58	4.05	-71.58
[NH3+]C1CCCCN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020251370	0	43	0.0	-65.79	340.42	2.57	-63.22
CC([NH3+])C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251371	0	39	0.0	-71.28	320.00	4.25	-67.03
CC([NH3+])C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251371	1	39	0.0	-71.25	320.04	4.25	-67.00
[NH3+]C(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1CCCCC1	REAL300020251372	0	51	0.0	-62.02	383.40	5.80	-56.22
[NH3+]C(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1CCCCC1	REAL300020251372	1	51	0.0	-62.00	383.45	5.80	-56.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2CC[NH2+]CC2)O1	REAL300020251374	0	42	0.0	-70.45	343.35	2.01	-68.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2CC[NH2+]CC2)O1	REAL300020251374	1	42	0.0	-70.42	343.40	2.01	-68.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[NH2+]CC2=CC=CC=C21	REAL300020251375	0	40	0.0	-63.84	319.43	5.58	-58.26
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]CC2=CC=CC=C21	REAL300020251375	1	40	0.0	-63.89	319.39	5.59	-58.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CC[NH2+]C2)S1	REAL300020251376	0	37	0.0	-71.58	315.47	4.75	-66.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CC[NH2+]C2)S1	REAL300020251376	1	37	0.0	-71.57	315.50	4.75	-66.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C[NH2+]C2)S1	REAL300020251377	0	34	0.0	-71.74	296.93	3.87	-67.87
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020251378	0	46	0.0	-76.11	357.91	5.79	-70.32
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020251378	1	46	0.0	-76.04	357.96	5.79	-70.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCC[NH2+]CC2)N=N1	REAL300020251379	0	45	0.0	-82.68	352.90	3.16	-79.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCC[NH2+]CC2)N=N1	REAL300020251379	1	45	0.0	-82.61	352.86	3.16	-79.45
CC(C)C[C@H](C[NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251380	0	44	0.0	-60.60	335.62	3.83	-56.77
CC(C)C[C@H](C[NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251380	1	44	0.0	-60.62	335.67	3.83	-56.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C2CC[NH2+]C2)NN=C1	REAL300020251381	0	40	0.0	-71.76	324.77	2.62	-69.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C2CC[NH2+]C2)NN=C1	REAL300020251381	1	40	0.0	-71.72	324.82	2.63	-69.09
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251382	0	46	0.0	-51.19	375.98	4.50	-46.69
COC1=CC=CC(CC([NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251383	0	43	0.0	-56.18	352.47	3.60	-52.58
O=C(CC1[NH2+]CC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251386	0	40	0.0	-53.19	326.18	5.56	-47.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C2=C(C[NH2+]C2)S1	REAL300020251387	1	34	0.0	-70.14	315.47	4.54	-65.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1CC[NH2+]C2	REAL300020251388	0	40	0.0	-71.10	315.86	5.53	-65.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1CC[NH2+]C2	REAL300020251388	1	40	0.0	-71.18	315.90	5.53	-65.65
O=C(CCC1CCC[NH2+]C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251389	0	42	0.0	-63.47	325.70	4.70	-58.77
O=C(CCC1CCC[NH2+]C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251389	1	42	0.0	-63.49	325.75	4.70	-58.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL300020251390	0	42	0.0	-72.90	341.30	4.24	-68.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL300020251390	1	42	0.0	-72.93	341.35	4.24	-68.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC2(C1)CCC[NH2+]C2	REAL300020251391	0	41	0.0	-59.09	330.45	2.88	-56.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC2(C1)CCC[NH2+]C2	REAL300020251391	1	41	0.0	-64.60	329.49	2.87	-61.73
O=C(CC1=CC=CC2=C1CC[NH2+]C2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251392	0	43	0.0	-68.32	341.98	6.08	-62.24
O=C(CC1=CC=CC2=C1CC[NH2+]C2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251392	1	43	0.0	-68.26	342.02	6.07	-62.19
[NH3+]C1CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020251393	0	40	0.0	-80.71	325.70	4.66	-76.05
[NH3+]C1CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C1	REAL300020251393	1	40	0.0	-80.64	325.74	4.66	-75.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1	REAL300020251394	0	45	0.0	-73.26	372.65	3.59	-69.67
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1	REAL300020251394	1	45	0.0	-73.67	371.68	3.57	-70.10
O=C(CC1(O)CCC[NH2+]C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251395	0	40	0.0	-58.74	307.56	2.01	-56.73
O=C(CC1(O)CCC[NH2+]C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251395	1	40	0.0	-58.75	307.61	2.01	-56.74
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251396	0	47	0.0	-54.11	373.26	5.31	-48.80
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251396	1	47	0.0	-49.55	374.04	5.22	-44.33
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251396	1	47	0.0	-54.06	373.30	5.32	-48.74
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251396	1	47	0.0	-42.32	375.10	5.26	-37.06
[NH3+]C1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCN(CC2=CC=CC=C2)CC1	REAL300020251397	0	54	0.0	-56.69	404.79	4.93	-51.76
[NH3+]C1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCN(CC2=CC=CC=C2)CC1	REAL300020251397	1	54	0.0	-56.80	404.84	4.94	-51.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL300020251399	0	42	0.0	-72.55	351.42	4.01	-68.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL300020251399	1	42	0.0	-72.57	351.46	4.01	-68.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC(C2CC[NH2+]CC2)=N1	REAL300020251400	0	43	0.0	-77.73	345.58	3.53	-74.20
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC(C2CC[NH2+]CC2)=N1	REAL300020251400	1	43	0.0	-77.78	345.62	3.53	-74.25
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251401	0	42	0.0	-62.81	314.29	3.85	-58.96
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251401	1	42	0.0	-62.86	314.33	3.85	-59.01
[NH3+]C(CC1OCCO1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251402	0	38	0.0	-54.15	310.76	0.18	-53.97
CC(C)C([NH3+])C(=O)NCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251403	0	45	0.0	-66.37	359.60	1.55	-64.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(N2CC[NH2+]CC2)=C1	REAL300020251404	0	44	0.0	-68.95	350.07	3.72	-65.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(N2CC[NH2+]CC2)=C1	REAL300020251404	1	44	0.0	-67.31	351.03	3.75	-63.56
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2CC[NH2+]CC2)=N1	REAL300020251406	0	45	0.0	-66.01	368.34	4.79	-61.22
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2CC[NH2+]CC2)=N1	REAL300020251406	1	45	0.0	-66.65	367.37	4.75	-61.90
[NH3+]C1CCOC2(CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)C1	REAL300020251408	0	44	0.0	-70.66	343.27	2.45	-68.21
[NH3+]C1CCOC2(CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)C1	REAL300020251408	1	44	0.0	-70.61	343.32	2.45	-68.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(CC2CC[NH2+]CC2)S1	REAL300020251409	0	45	0.0	-65.62	371.13	5.04	-60.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(CC2CC[NH2+]CC2)S1	REAL300020251409	1	45	0.0	-65.57	371.17	5.05	-60.52
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251410	0	42	0.0	-59.21	351.27	4.81	-54.40
N#CC1C[NH2+]CC12CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020251411	0	41	0.0	-67.30	326.42	4.22	-63.08
N#CC1C[NH2+]CC12CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020251411	1	41	0.0	-67.29	326.46	4.23	-63.06
CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251412	1	38	0.0	-70.88	327.24	-1.18	-72.06
[NH3+]CCCN1C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020251413	0	39	0.0	-69.38	328.39	2.22	-67.16
[NH3+]CCCN1C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020251413	1	39	0.0	-72.76	329.36	2.25	-70.51
[NH3+]CCC1=CN2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2N=C1	REAL300020251414	0	41	0.0	-93.03	347.19	3.17	-89.86
[NH3+]CCC1=CN2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2N=C1	REAL300020251414	1	41	0.0	-93.40	348.15	3.19	-90.21
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251415	0	43	0.0	-74.31	347.53	1.09	-73.22
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251415	1	43	0.0	-74.35	347.57	1.10	-73.25
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020251416	0	42	0.0	-53.02	339.49	5.16	-47.86
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020251416	1	42	0.0	-53.08	339.53	5.16	-47.92
CC([NH3+])C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020251417	1	35	0.0	-70.28	309.80	1.24	-69.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCC[NH2+]C2	REAL300020251419	0	41	0.0	-73.90	328.56	5.49	-68.41
[NH3+]C1CCCN2N=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020251422	0	40	0.0	-81.12	325.79	2.11	-79.01
[NH3+]C1CCCN2N=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020251422	1	40	0.0	-81.11	325.84	2.10	-79.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(C2C[NH2+]C2)C1	REAL300020251423	0	41	0.0	-61.99	328.35	2.27	-59.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2C[NH2+]C2)C1	REAL300020251423	1	41	0.0	-62.04	328.39	2.27	-59.77
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251424	0	46	0.0	-52.12	367.83	4.72	-47.40
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251424	1	46	0.0	-52.13	367.88	4.74	-47.39
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251425	0	46	0.0	-51.98	367.97	4.72	-47.26
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251425	1	46	0.0	-52.01	368.02	4.72	-47.29
[NH3+]CCCSCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251426	0	39	0.0	-70.14	333.27	3.48	-66.66
[NH3+]CCCSCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251426	1	39	0.0	-70.11	333.32	3.48	-66.63
CSCC[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251427	0	39	0.0	-55.67	324.87	3.38	-52.29
CSCC[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251427	1	39	0.0	-55.70	324.91	3.39	-52.31
O=C(CCCCC1CC[NH2+]CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251428	0	48	0.0	-63.83	369.75	6.30	-57.53
O=C(CCCCC1CC[NH2+]CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251428	1	48	0.0	-63.83	369.79	6.30	-57.53
[NH3+]CC1=CN2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=C2C=C1	REAL300020251429	0	39	0.0	-94.21	332.78	3.97	-90.24
[NH3+]CC1=CN2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C2C=C1	REAL300020251429	1	39	0.0	-94.21	332.73	3.96	-90.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CC[NH2+]CC2=N1	REAL300020251431	0	39	0.0	-67.28	318.94	3.79	-63.49
[NH3+]CCN1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020251432	0	43	0.0	-73.03	341.47	2.34	-70.69
[NH3+]CCN1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020251432	1	43	0.0	-73.05	341.52	2.34	-70.71
CCCCCCCCC([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251433	0	50	0.0	-53.82	392.59	5.95	-47.87
CC1[NH2+]CCN2C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C12	REAL300020251434	0	41	0.0	-59.26	323.48	4.95	-54.31
[NH3+]C1CCC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2NC1=O	REAL300020251438	0	44	0.0	-74.82	353.96	2.94	-71.88
[NH3+]CCCC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251439	0	46	0.0	-74.39	378.87	5.55	-68.84
[NH3+]CCCC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251439	1	46	0.0	-73.39	377.90	5.53	-67.86
[NH3+][C@@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020251441	0	42	0.0	-51.33	340.53	5.16	-46.17
[NH3+][C@@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020251441	1	42	0.0	-51.43	340.57	5.16	-46.27
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOCC1	REAL300020251442	0	43	0.0	-56.91	327.40	2.26	-54.65
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOCC1	REAL300020251442	1	43	0.0	-56.95	327.44	2.26	-54.69
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCCC1	REAL300020251443	0	45	0.0	-52.35	335.50	4.65	-47.70
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCCC1	REAL300020251443	1	45	0.0	-52.45	335.54	4.65	-47.80
[NH3+][C@@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1CCCCC1	REAL300020251444	0	48	0.0	-53.60	360.43	5.33	-48.27
[NH3+][C@@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1CCCCC1	REAL300020251444	1	48	0.0	-53.64	360.48	5.33	-48.31
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C(C)[NH3+])S1	REAL300020251445	1	38	0.0	-54.48	327.76	2.08	-52.40
[NH3+]C1CCC2(CC2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251446	0	43	0.0	-60.20	336.27	4.11	-56.09
[NH3+]C1CCC2(CC2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251446	1	43	0.0	-60.17	336.31	4.12	-56.05
[NH3+]C(CC1=NC=CS1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251447	0	35	0.0	-53.53	307.76	1.40	-52.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(N2CC[NH2+]CC2)=N1	REAL300020251448	0	41	0.0	-72.04	344.26	2.53	-69.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(N2CC[NH2+]CC2)=N1	REAL300020251448	1	41	0.0	-72.04	344.22	2.52	-69.52
COC(=O)CC[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251449	0	41	0.0	-61.03	335.59	2.96	-58.07
COC(=O)CC[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251449	1	41	0.0	-61.03	335.63	2.97	-58.06
[NH3+]CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020251450	0	33	0.0	-69.80	294.88	2.68	-67.12
[NH3+]CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020251450	1	33	0.0	-69.84	294.92	2.68	-67.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCC[NH2+]CC2=C1	REAL300020251451	0	41	0.0	-67.61	330.61	4.34	-63.27
N#CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CC[NH2+]CC1	REAL300020251452	0	40	0.0	-65.87	320.84	4.13	-61.74
N#CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CC[NH2+]CC1	REAL300020251452	1	40	0.0	-72.97	321.88	4.16	-68.81
CC1CN2N=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C[NH2+]1	REAL300020251453	1	40	0.0	-76.98	328.07	3.18	-73.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2CCC[NH2+]2)N=C1	REAL300020251454	0	41	0.0	-52.93	335.95	3.69	-49.24
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(CC[NH3+])S1	REAL300020251455	0	38	0.0	-68.88	327.65	2.10	-66.78
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(CC[NH3+])S1	REAL300020251455	1	38	0.0	-68.82	327.70	2.10	-66.72
CC[NH2+]CC1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251456	0	48	0.0	-64.30	367.21	6.43	-57.87
CC[NH2+]CC1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251456	1	48	0.0	-64.32	367.26	6.43	-57.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC[NH2+]C(C2CCCO2)C1	REAL300020251458	0	47	0.0	-50.36	353.75	4.24	-46.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC[NH2+]C(C2CCCO2)C1	REAL300020251458	1	47	0.0	-50.42	353.79	4.24	-46.18
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C[NH2+]CCOC2=C1	REAL300020251460	0	41	0.0	-70.47	330.64	4.35	-66.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1CC[NH2+]CC1	REAL300020251461	0	39	0.0	-67.76	313.96	4.04	-63.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1CC[NH2+]CC1	REAL300020251461	1	39	0.0	-67.74	314.00	4.04	-63.70
[NH3+][C@@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1=CC(F)=C(F)C=C1F	REAL300020251462	0	42	0.0	-59.27	358.18	5.28	-53.99
[NH3+][C@@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1=CC(F)=C(F)C=C1F	REAL300020251462	1	42	0.0	-59.29	358.23	5.28	-54.01
[NH3+]CC1=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020251463	0	35	0.0	-67.53	309.99	1.39	-66.14
[NH3+]CC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020251464	1	32	0.0	-66.91	290.05	0.72	-66.19
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C[NH3+])S1	REAL300020251465	1	35	0.0	-63.37	307.20	1.38	-61.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C[NH2+]CCN2N=C1	REAL300020251466	1	37	0.0	-73.71	303.98	2.44	-71.27
[NH3+]CCC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)COCCO1	REAL300020251467	0	44	0.0	-63.40	337.78	1.71	-61.69
[NH3+]CCC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)COCCO1	REAL300020251467	1	44	0.0	-63.47	337.83	1.71	-61.76
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251468	0	45	0.0	-57.05	361.54	5.95	-51.10
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251468	1	45	0.0	-57.07	361.58	5.95	-51.12
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251469	0	45	0.0	-55.38	362.55	5.95	-49.43
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251469	1	45	0.0	-55.39	362.60	5.96	-49.43
COC(=O)C[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251470	0	38	0.0	-52.63	313.29	2.20	-50.43
COC(=O)C[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251470	1	38	0.0	-52.60	313.33	2.20	-50.40
[NH3+]CC(CC1CCCC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251471	0	45	0.0	-69.08	346.38	4.38	-64.70
[NH3+]CC(CC1CCCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251471	1	45	0.0	-69.16	346.47	4.38	-64.78
[NH3+]CCCCSCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251472	0	39	0.0	-70.53	333.10	3.46	-67.07
[NH3+]CCCCSCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251472	1	39	0.0	-70.51	333.14	3.46	-67.05
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)C1	REAL300020251473	0	46	0.0	-89.29	368.60	0.93	-88.36
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)C1	REAL300020251473	1	46	0.0	-89.28	368.64	0.93	-88.35
[NH3+]C1CCC2(CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)CC1	REAL300020251474	0	46	0.0	-70.57	351.46	4.58	-65.99
[NH3+]C1CCC2(CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)CC1	REAL300020251474	1	46	0.0	-70.47	351.50	4.59	-65.88
[NH3+]C(CCSC(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251475	0	36	0.0	-60.36	327.07	3.09	-57.27
CC1(C)C[NH2+]C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020251476	0	42	0.0	-46.24	328.27	4.64	-41.60
CC1(C)C[NH2+]C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251476	1	42	0.0	-46.22	328.31	4.64	-41.58
[NH3+]CC1(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=N2)CCC1	REAL300020251477	0	45	0.0	-60.60	360.29	4.19	-56.41
[NH3+]CC1(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=N2)CCC1	REAL300020251477	1	45	0.0	-60.63	360.24	4.19	-56.44
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251478	0	44	0.0	-77.21	366.38	2.58	-74.63
CN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C1CCCC[NH2+]1	REAL300020251479	0	47	0.0	-63.27	360.59	6.62	-56.65
CN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C1CCCC[NH2+]1	REAL300020251479	1	47	0.0	-63.46	360.93	6.64	-56.82
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(N2CC[NH2+]CC2)=N1	REAL300020251480	0	44	0.0	-68.28	361.17	3.18	-65.10
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(N2CC[NH2+]CC2)=N1	REAL300020251480	1	44	0.0	-68.26	361.21	3.18	-65.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1	REAL300020251481	0	50	0.0	-64.87	382.15	4.68	-60.19
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251482	0	42	0.0	-78.86	342.37	0.13	-78.73
O=C(CC[C@@H]1CCCC[NH2+]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251483	0	42	0.0	-56.92	326.81	4.98	-51.94
O=C(CC[C@@H]1CCCC[NH2+]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251483	1	42	0.0	-56.94	326.85	4.99	-51.95
[NH3+]CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251484	0	39	0.0	-76.89	322.82	4.28	-72.61
[NH3+]CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251484	1	39	0.0	-76.90	322.88	4.29	-72.61
COC(=O)CC[C@@H]([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251485	0	38	0.0	-69.82	319.07	2.09	-67.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C[NH2+]CC2)S1	REAL300020251486	0	37	0.0	-69.50	315.51	4.72	-64.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1C[NH2+]CCO2	REAL300020251487	0	41	0.0	-53.22	324.81	4.38	-48.84
[NH3+]C1(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCCC1	REAL300020251488	0	42	0.0	-62.79	325.33	3.77	-59.02
[NH3+]C1(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCCC1	REAL300020251488	1	42	0.0	-62.87	325.38	3.78	-59.09
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251489	0	45	0.0	-72.33	372.50	4.63	-67.70
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251489	1	45	0.0	-72.35	372.55	4.64	-67.71
COC(=O)C[C@@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251490	0	38	0.0	-52.61	313.31	2.20	-50.41
COC(=O)C[C@@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251490	1	38	0.0	-52.63	313.35	2.20	-50.43
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251491	0	39	0.0	-54.95	336.70	4.62	-50.33
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCCCC1	REAL300020251492	0	48	0.0	-53.01	347.75	5.02	-47.99
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCCCC1	REAL300020251492	1	48	0.0	-53.08	347.79	5.02	-48.06
[NH3+]C1CCN2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C1	REAL300020251493	0	40	0.0	-81.97	323.52	2.08	-79.89
[NH3+]C1CCN2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C1	REAL300020251493	1	40	0.0	-81.95	323.58	2.09	-79.86
CC1(C)CC[NH2+]CC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251494	0	42	0.0	-58.21	313.31	4.26	-53.95
CC1(C)CC[NH2+]CC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251494	1	42	0.0	-58.24	313.35	4.25	-53.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC([C@@H]2CCC[NH2+]2)=N1	REAL300020251495	0	39	0.0	-62.18	325.29	1.06	-61.12
[NH3+]C(CC(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251496	0	32	0.0	-52.98	278.56	1.75	-51.23
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C[NH3+])=N1	REAL300020251498	1	35	0.0	-66.87	307.06	1.35	-65.52
[NH3+]CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOC1	REAL300020251499	0	40	0.0	-55.43	313.56	1.56	-53.87
[NH3+]CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOC1	REAL300020251499	1	40	0.0	-55.47	313.61	1.56	-53.91
O=C(CC[C@H]1CCCC[NH2+]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251500	0	42	0.0	-53.17	326.81	4.98	-48.19
O=C(CC[C@H]1CCCC[NH2+]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251500	1	42	0.0	-53.19	326.86	4.99	-48.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1	REAL300020251501	0	48	0.0	-77.02	373.20	3.19	-73.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1	REAL300020251501	1	48	0.0	-77.00	373.25	3.19	-73.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)C1CCC[NH2+]CC1	REAL300020251502	0	42	0.0	-66.90	323.46	4.29	-62.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)C1CCC[NH2+]CC1	REAL300020251502	1	42	0.0	-66.92	323.51	4.29	-62.63
[NH3+]CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC1	REAL300020251503	0	42	0.0	-53.31	324.46	3.97	-49.34
[NH3+]CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC1	REAL300020251503	1	42	0.0	-53.29	324.50	3.99	-49.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[NH2+]C[C@H]1C(F)F	REAL300020251504	0	36	0.0	-58.86	298.36	3.30	-55.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[NH2+]C[C@H]1C(F)F	REAL300020251504	1	36	0.0	-49.96	299.43	3.32	-46.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C[NH2+]CCN2C(Br)=N1	REAL300020251505	1	37	0.0	-80.09	324.91	3.71	-76.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C[NH2+]CCN2C=N1	REAL300020251506	1	37	0.0	-77.95	304.53	3.95	-74.00
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1CCCCC1	REAL300020251507	0	48	0.0	-58.51	360.44	5.33	-53.18
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1CCCCC1	REAL300020251507	1	48	0.0	-58.54	360.48	5.33	-53.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CCC[NH2+]2)S1	REAL300020251508	0	40	0.0	-56.39	337.27	5.56	-50.83
[NH3+]C(CC1CCCCO1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251509	0	43	0.0	-55.72	337.76	2.43	-53.29
[NH3+][C@H](CC1=CC=CC=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251510	0	38	0.0	-48.13	314.75	3.16	-44.97
CC1=CC=CN=C1CC([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251511	0	41	0.0	-45.90	335.88	3.13	-42.77
[NH3+]C(CCC1=CC=NC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251512	0	41	0.0	-62.12	339.92	3.32	-58.80
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020251513	0	41	0.0	-61.92	335.06	1.02	-60.90
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020251513	1	41	0.0	-65.29	336.02	1.02	-64.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2CCC[NH2+]C2)=N1	REAL300020251514	0	42	0.0	-69.81	351.54	3.98	-65.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2CCC[NH2+]C2)=N1	REAL300020251514	1	42	0.0	-69.78	351.58	3.99	-65.79
[NH3+]C1(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCOCC1	REAL300020251515	0	43	0.0	-66.38	326.41	1.71	-64.67
[NH3+]C1(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCOCC1	REAL300020251515	1	43	0.0	-66.39	326.45	1.71	-64.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CCC2CCCC[NH2+]2)N=N1	REAL300020251516	0	48	0.0	-80.31	384.87	4.45	-75.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CCC2CCCC[NH2+]2)N=N1	REAL300020251516	1	48	0.0	-80.29	384.82	4.46	-75.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1	REAL300020251517	0	46	0.0	-55.02	361.41	6.67	-48.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1	REAL300020251517	1	46	0.0	-55.07	361.45	6.68	-48.39
[NH3+][C@H]1CC[C@H](OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251518	0	43	0.0	-72.04	340.55	3.28	-68.76
[NH3+][C@H]1CC[C@H](OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251518	1	43	0.0	-72.03	340.59	3.28	-68.75
[NH3+][C@@H](CC1=CC=NC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251519	0	38	0.0	-57.48	317.90	2.52	-54.96
[NH3+]C(CC1CC=CCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251520	0	43	0.0	-59.88	331.68	4.63	-55.25
[NH3+]C1(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCOC1	REAL300020251521	0	40	0.0	-64.05	314.66	1.13	-62.92
[NH3+]C1(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCOC1	REAL300020251521	1	40	0.0	-64.13	314.70	1.13	-63.00
C[C@@]1(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCC[NH2+]1	REAL300020251522	0	42	0.0	-56.71	324.62	4.46	-52.25
C[C@@]1(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCC[NH2+]1	REAL300020251522	1	42	0.0	-56.70	324.66	4.46	-52.24
C[NH2+]C(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251523	0	42	0.0	-55.75	337.83	6.30	-49.45
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251524	0	46	0.0	-55.01	372.51	6.03	-48.98
CC[NH2+]C(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251525	0	45	0.0	-54.83	357.01	6.69	-48.14
[NH3+][C@@H](CC1CCCCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251526	0	45	0.0	-59.87	344.11	4.45	-55.42
[NH3+]C(CCC1=CC=CC=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251527	0	41	0.0	-61.26	339.20	3.30	-57.96
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251528	0	42	0.0	-59.70	344.00	5.06	-54.64
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(OCC[NH+]3CCCCC3)=C2)C=C1	REAL300020252530	0	50	0.0	-64.32	384.89	8.02	-56.30
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(OCC[NH+]3CCCCC3)=C2)C=C1	REAL300020252542	0	50	0.0	-64.32	384.89	8.02	-56.30
C[NH+](C)CCOC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252543	0	43	0.0	-64.83	343.24	6.14	-58.69
CC1CCC[N@@H+]1CC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252551	0	46	0.0	-61.82	351.27	7.75	-54.07
CC1CCC[N@H+]1CC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252551	1	46	0.0	-61.77	351.29	7.75	-54.02
CC1CCC[N@@H+]1CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252552	0	46	0.0	-65.54	359.69	8.19	-57.35
CC1CCC[N@H+]1CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252552	1	46	0.0	-65.23	351.28	7.76	-57.47
C[NH+](C)CCC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252587	0	42	0.0	-69.87	335.87	7.22	-62.65
C[NH+](C)CC1=CC=C(F)C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252599	0	39	0.0	-69.61	324.71	6.61	-63.00
C[NH+](C)CC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1F	REAL300020252604	0	39	0.0	-61.82	319.53	6.48	-55.34
C[NH+](C)CCOC1=CC=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252617	0	43	0.0	-61.87	347.77	6.49	-55.38
CC(=O)N1CC[NH+](CC2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)CC1	REAL300020252682	1	50	0.0	-74.76	390.30	7.08	-67.68
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2C[NH+]2CCCCC2)C=C1	REAL300020252693	0	46	0.0	-49.84	355.07	8.29	-41.55
O=C1[N-]N=NN1C1=CC=C(C2=CN(C3=CC=[NH+]C=C3)N=C2)C=C1	REAL300020252716	1	34	0.0	-69.72	295.45	4.47	-65.25
C[NH+](C)CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300020252721	0	36	0.0	-66.50	307.56	5.78	-60.72
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OCCC[NH+]3CCCC3)C=C2)C=C1	REAL300020252786	0	50	0.0	-68.75	390.14	7.87	-60.88
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C[NH+]3CCCC3)=C2)C=C1	REAL300020252790	0	43	0.0	-63.78	337.58	7.46	-56.32
O=C1[N-]N=NN1C1=CC=C(C2=CN=CC(OCCC[NH+]3CCCC3)=C2)C=C1	REAL300020252799	0	49	0.0	-66.81	386.87	6.18	-60.63
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C[NH+]3CCOCC3)=C2)C=C1	REAL300020252804	1	44	0.0	-66.95	346.29	5.82	-61.13
C[N@@H+]1CCOC(C2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)C1	REAL300020252852	1	44	0.0	-66.67	342.39	5.65	-61.02
C[N@H+]1CCOC(C2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)C1	REAL300020252852	1	44	0.0	-66.11	349.63	6.07	-60.04
CN1CC[NH+](CC2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)CC1	REAL300020252859	0	48	0.0	-65.18	371.48	5.67	-59.51
C[NH+]1CCN(CC2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)CC1	REAL300020252859	1	48	0.0	-61.36	372.00	5.79	-55.57
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C[NH2+]C3CC3)=C2)C=C1	REAL300020252894	0	40	0.0	-66.74	329.25	5.93	-60.81
CN1CC[N+](CCN2CCCCC2)=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020252927	1	55	0.0	-45.29	393.28	7.38	-37.91
CN1CC[N+](CCN2CCCCC2)=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020252927	1	55	0.0	-45.36	393.34	7.39	-37.97
C1=CC=C(CN2CCN(C3CC3)C2=[NH+]C2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020252931	0	51	0.0	-48.68	411.68	11.92	-36.76
C1=CC=C(CN2CCN(C3CC3)C2=[NH+]C2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020252931	1	51	0.0	-48.68	411.63	11.89	-36.79
CSCC[C@H]([NH+]=C1N(CC2=CC=CC=C2)CCN1C1CC1)C1=NN=N[N-]1	REAL300020252932	0	51	0.0	-32.09	398.51	10.08	-22.01
CSCC[C@H]([NH+]=C1N(CC2=CC=CC=C2)CCN1C1CC1)C1=N[N-]N=N1	REAL300020252932	1	51	0.0	-32.06	398.45	10.07	-21.99
C1=CC=C(C[N+]2=C(N3CCC(C4=N[N-]N=N4)CC3)N(C3CC3)CC2)C=C1	REAL300020252933	0	51	0.0	-46.35	384.72	11.32	-35.03
C1=CC=C(C[N+]2=C(N3CCC(C4=NN=N[N-]4)CC3)N(C3CC3)CC2)C=C1	REAL300020252933	1	51	0.0	-46.37	384.78	11.34	-35.03
CN1C[C@@H]2CCCCN2C1=[NH+]C1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020252934	0	44	0.0	-42.80	335.89	8.83	-33.97
CN1C[C@@H]2CCCCN2C1=[NH+]C1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020252934	1	44	0.0	-42.80	335.84	8.80	-34.00
CSCC[C@H]([NH+]=C1N(C)C[C@@H]2CCCCN12)C1=NN=N[N-]1	REAL300020252935	0	44	0.0	-32.76	339.95	7.36	-25.40
CSCC[C@H]([NH+]=C1N(C)C[C@@H]2CCCCN12)C1=N[N-]N=N1	REAL300020252935	1	44	0.0	-32.77	339.89	7.33	-25.44
CN1C[C@H]2CCCCN2C1=[NH+]C1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020252936	0	44	0.0	-42.62	335.69	8.82	-33.80
CN1C[C@H]2CCCCN2C1=[NH+]C1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020252936	1	44	0.0	-42.61	335.63	8.80	-33.81
CSCC[C@H]([NH+]=C1N(C)C[C@H]2CCCCN12)C1=NN=N[N-]1	REAL300020252937	0	44	0.0	-32.14	342.36	7.32	-24.82
CSCC[C@H]([NH+]=C1N(C)C[C@H]2CCCCN12)C1=N[N-]N=N1	REAL300020252937	1	44	0.0	-32.09	342.30	7.30	-24.79
CN1CCN(CC(F)(F)F)C1=[NH+]C1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020252938	0	40	0.0	-48.75	337.53	8.19	-40.56
CN1CCN(CC(F)(F)F)C1=[NH+]C1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020252938	1	40	0.0	-48.74	337.47	8.17	-40.57
CSCC[C@H]([NH+]=C1N(C)CCN1CC(F)(F)F)C1=NN=N[N-]1	REAL300020252939	0	40	0.0	-29.61	332.05	6.13	-23.48
CSCC[C@H]([NH+]=C1N(C)CCN1CC(F)(F)F)C1=N[N-]N=N1	REAL300020252939	1	40	0.0	-29.57	332.00	6.12	-23.45
CN1CCN(CC(F)(F)F)C1=[N+]1CCC(C2=N[N-]N=N2)CC1	REAL300020252940	0	40	0.0	-47.17	315.19	6.92	-40.25
CN1CCN(CC(F)(F)F)C1=[N+]1CCC(C2=NN=N[N-]2)CC1	REAL300020252940	1	40	0.0	-47.21	315.25	6.93	-40.28
CN1C(=[NH+]C2=CC=CC(CC3=NN=N[N-]3)=C2)N(C)[C@@H]2CCCC[C@H]21	REAL300020252941	0	47	0.0	-39.41	356.91	9.29	-30.12
CN1C(=[NH+]C2=CC=CC(CC3=N[N-]N=N3)=C2)N(C)[C@@H]2CCCC[C@H]21	REAL300020252941	1	47	0.0	-39.39	356.85	9.26	-30.13
CSCC[C@H]([NH+]=C1N(C)[C@@H]2CCCC[C@H]2N1C)C1=NN=N[N-]1	REAL300020252942	0	47	0.0	-29.78	361.16	7.56	-22.22
CSCC[C@H]([NH+]=C1N(C)[C@@H]2CCCC[C@H]2N1C)C1=N[N-]N=N1	REAL300020252942	1	47	0.0	-29.78	361.11	7.53	-22.25
CN1C(=[N+]2CCC(C3=N[N-]N=N3)CC2)N(C)[C@@H]2CCCC[C@H]21	REAL300020252943	0	47	0.0	-41.63	335.77	7.60	-34.03
CN1C(=[N+]2CCC(C3=NN=N[N-]3)CC2)N(C)[C@@H]2CCCC[C@H]21	REAL300020252943	1	47	0.0	-41.66	335.83	7.61	-34.05
C1=CC=C(CN2CC[NH+]=C2NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020252944	0	44	0.0	-48.61	359.11	10.05	-38.56
C1=CC=C(CN2CC[NH+]=C2NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020252944	1	44	0.0	-48.61	359.06	10.03	-38.58
CSCC[C@H](NC1=[NH+]CCN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020252945	0	44	0.0	-33.72	366.96	8.36	-25.36
CSCC[C@H](NC1=[NH+]CCN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020252945	1	44	0.0	-33.67	366.90	8.34	-25.33
C1=CC=C(CN2CC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020252946	0	44	0.0	-48.24	341.16	8.15	-40.09
C1=CC=C(CN2CC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020252946	1	44	0.0	-48.19	341.10	8.14	-40.05
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CCCN2C2CCCCC2)=C1	REAL300020252947	0	50	0.0	-48.18	370.83	9.93	-38.25
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CCCN2C2CCCCC2)=C1	REAL300020252947	1	50	0.0	-48.19	370.78	9.91	-38.28
CSCC[C@H](NC1=[NH+]CCCN1C1CCCCC1)C1=NN=N[N-]1	REAL300020252948	0	50	0.0	-32.88	383.07	8.63	-24.25
CSCC[C@H](NC1=[NH+]CCCN1C1CCCCC1)C1=N[N-]N=N1	REAL300020252948	1	50	0.0	-32.87	383.00	8.60	-24.27
C1CCC(N2CCC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020252949	0	50	0.0	-44.32	352.87	8.40	-35.92
C1CCC(N2CCC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020252949	1	50	0.0	-44.33	352.81	8.39	-35.94
CC1CC(C)(C)C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)NC12	REAL300020252950	0	50	0.0	-45.72	371.84	8.50	-37.22
CC1CC(C)(C)C2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)NC12	REAL300020252950	1	50	0.0	-45.72	371.79	8.48	-37.24
CSCC[C@H](NC1=[NH+]CC2C(N1)C(C)CC2(C)C)C1=NN=N[N-]1	REAL300020252951	0	50	0.0	-32.50	380.92	6.65	-25.85
CSCC[C@H](NC1=[NH+]CC2C(N1)C(C)CC2(C)C)C1=N[N-]N=N1	REAL300020252951	1	50	0.0	-32.45	380.86	6.62	-25.83
CC1CC(C)(C)C2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)NC12	REAL300020252952	0	50	0.0	-46.95	362.10	7.03	-39.92
CC1CC(C)(C)C2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)NC12	REAL300020252952	1	50	0.0	-46.88	362.04	7.01	-39.87
C1=CC=C(CC2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)C=C1	REAL300020252953	0	44	0.0	-50.71	358.29	8.57	-42.14
C1=CC=C(CC2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)C=C1	REAL300020252953	1	44	0.0	-50.69	358.23	8.55	-42.14
CSCC[C@H](NC1=[NH+]CC(CC2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020252954	0	44	0.0	-36.46	369.26	6.99	-29.47
CSCC[C@H](NC1=[NH+]CC(CC2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020252954	1	44	0.0	-36.50	369.21	6.97	-29.53
C1=CC=C(CC2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2)C=C1	REAL300020252955	0	44	0.0	-50.84	341.30	7.66	-43.18
C1=CC=C(CC2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2)C=C1	REAL300020252955	1	44	0.0	-50.84	341.24	7.65	-43.19
C1=CC=C(C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)C=C1	REAL300020252956	0	41	0.0	-50.75	338.22	8.05	-42.70
C1=CC=C(C2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)C=C1	REAL300020252956	1	41	0.0	-50.77	338.16	8.03	-42.74
CSCC[C@H](NC1=[NH+]CC(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020252957	0	41	0.0	-34.43	347.67	6.41	-28.02
CSCC[C@H](NC1=[NH+]CC(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020252957	1	41	0.0	-34.42	347.61	6.39	-28.03
C1=CC=C(CCCN2CCC[NH+]=C2NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020252958	0	53	0.0	-40.03	419.07	12.44	-27.59
C1=CC=C(CCCN2CCC[NH+]=C2NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020252958	1	53	0.0	-40.01	419.02	12.41	-27.60
CSCC[C@H](NC1=[NH+]CCCN1CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020252959	0	53	0.0	-33.69	426.88	10.76	-22.93
CSCC[C@H](NC1=[NH+]CCCN1CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020252959	1	53	0.0	-33.67	426.82	10.75	-22.92
C1=CC=C(CCCN2CCC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020252960	0	53	0.0	-47.83	400.97	10.66	-37.17
C1=CC=C(CCCN2CCC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020252960	1	53	0.0	-47.84	400.92	10.64	-37.20
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CC(C3CCCCC3)N2)=C1	REAL300020252961	0	47	0.0	-48.72	356.88	8.23	-40.49
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CC(C3CCCCC3)N2)=C1	REAL300020252961	1	47	0.0	-48.71	356.82	8.21	-40.50
CSCC[C@H](NC1=[NH+]CC(C2CCCCC2)N1)C1=NN=N[N-]1	REAL300020252962	0	47	0.0	-34.05	366.82	6.62	-27.43
CSCC[C@H](NC1=[NH+]CC(C2CCCCC2)N1)C1=N[N-]N=N1	REAL300020252962	1	47	0.0	-34.03	366.77	6.59	-27.44
C1[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)NC1C1CCCCC1	REAL300020252963	0	47	0.0	-48.92	339.17	7.24	-41.68
C1[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)NC1C1CCCCC1	REAL300020252963	1	47	0.0	-48.92	339.11	7.23	-41.69
FC(F)(F)C1CC[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020252964	0	37	0.0	-51.89	315.29	6.30	-45.59
CSCC[C@H](NC1=[NH+]CCC(C(F)(F)F)N1)C1=NN=N[N-]1	REAL300020252965	0	37	0.0	-36.53	323.94	4.50	-32.03
CSCC[C@H](NC1=[NH+]CCC(C(F)(F)F)N1)C1=N[N-]N=N1	REAL300020252965	1	37	0.0	-36.53	323.89	4.48	-32.05
FC(F)(F)C1CC[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)N1	REAL300020252966	0	37	0.0	-53.25	299.87	4.96	-48.29
FC(F)(F)C1CC[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)N1	REAL300020252966	1	37	0.0	-53.25	299.81	4.95	-48.30
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CC3CCCCC3N2)=C1	REAL300020252967	0	44	0.0	-45.89	338.36	7.61	-38.28
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CC3CCCCC3N2)=C1	REAL300020252967	1	44	0.0	-45.91	338.31	7.58	-38.33
CSCC[C@H](NC1=[NH+]CC2CCCCC2N1)C1=NN=N[N-]1	REAL300020252968	0	44	0.0	-32.59	347.13	5.80	-26.79
CSCC[C@H](NC1=[NH+]CC2CCCCC2N1)C1=N[N-]N=N1	REAL300020252968	1	44	0.0	-32.60	347.07	5.78	-26.82
COC1=CC=C(CN2CC[NH+]=C2NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC)=C1	REAL300020252969	0	52	0.0	-47.50	414.92	8.72	-38.78
COC1=CC=C(CN2CC[NH+]=C2NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC)=C1	REAL300020252969	1	52	0.0	-47.51	414.87	8.70	-38.81
COC1=CC=C(CN2CC[NH+]=C2N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1	REAL300020252970	0	52	0.0	-33.68	424.45	7.06	-26.62
COC1=CC=C(CN2CC[NH+]=C2N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1	REAL300020252970	1	52	0.0	-33.61	424.38	7.04	-26.57
COC1=CC=C(CN2CC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300020252971	0	52	0.0	-48.34	395.39	6.83	-41.51
COC1=CC=C(CN2CC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300020252971	1	52	0.0	-48.31	395.33	6.82	-41.49
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CC3(CCCC3)CN2)=C1	REAL300020252975	0	44	0.0	-43.75	338.24	7.25	-36.50
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CC3(CCCC3)CN2)=C1	REAL300020252975	1	44	0.0	-43.71	338.19	7.23	-36.48
CSCC[C@H](NC1=[NH+]CC2(CCCC2)CN1)C1=NN=N[N-]1	REAL300020252976	0	44	0.0	-35.73	346.41	5.57	-30.16
CSCC[C@H](NC1=[NH+]CC2(CCCC2)CN1)C1=N[N-]N=N1	REAL300020252976	1	44	0.0	-35.72	346.36	5.56	-30.16
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CC3(CCCCC3)CN2)=C1	REAL300020252977	0	47	0.0	-43.36	349.23	7.26	-36.10
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CC3(CCCCC3)CN2)=C1	REAL300020252977	1	47	0.0	-43.34	349.17	7.24	-36.10
CSCC[C@H](NC1=[NH+]CC2(CCCCC2)CN1)C1=NN=N[N-]1	REAL300020252978	0	47	0.0	-32.74	357.43	5.59	-27.15
CSCC[C@H](NC1=[NH+]CC2(CCCCC2)CN1)C1=N[N-]N=N1	REAL300020252978	1	47	0.0	-32.82	357.37	5.57	-27.25
C1CCC2(CC1)CNC(N1CCC(C3=NN=N[N-]3)CC1)=[NH+]C2	REAL300020252979	0	47	0.0	-46.83	332.88	5.98	-40.85
C1CCC2(CC1)CNC(N1CCC(C3=N[N-]N=N3)CC1)=[NH+]C2	REAL300020252979	1	47	0.0	-46.85	332.83	5.96	-40.89
CSCC[C@H]1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020252980	0	41	0.0	-50.39	345.04	6.86	-43.53
CSCC[C@H]1C[NH+]=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1	REAL300020252980	1	41	0.0	-50.44	344.98	6.84	-43.60
CSCC[C@H](NC1=[NH+]C[C@H](CCSC)N1)C1=NN=N[N-]1	REAL300020252981	0	41	0.0	-36.15	353.77	5.25	-30.90
CSCC[C@H](NC1=[NH+]C[C@H](CCSC)N1)C1=N[N-]N=N1	REAL300020252981	1	41	0.0	-36.12	353.72	5.23	-30.89
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CC3CSCCN23)=C1	REAL300020252982	0	39	0.0	-46.86	319.65	7.67	-39.19
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CC3CSCCN23)=C1	REAL300020252982	1	39	0.0	-46.82	319.60	7.65	-39.17
CSCC[C@H](NC1=[NH+]CC2CSCCN12)C1=NN=N[N-]1	REAL300020252983	0	39	0.0	-34.75	329.13	6.03	-28.72
CSCC[C@H](NC1=[NH+]CC2CSCCN12)C1=N[N-]N=N1	REAL300020252983	1	39	0.0	-34.78	329.07	6.01	-28.77
COC1=CC=C(CN2CC[NH+]=C2NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC)=C1	REAL300020252984	0	52	0.0	-47.50	414.92	8.72	-38.78
COC1=CC=C(CN2CC[NH+]=C2NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC)=C1	REAL300020252984	1	52	0.0	-47.51	414.87	8.70	-38.81
COC1=CC=C(CN2CC[NH+]=C2N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1	REAL300020252985	0	52	0.0	-33.68	424.45	7.06	-26.62
COC1=CC=C(CN2CC[NH+]=C2N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1	REAL300020252985	1	52	0.0	-33.61	424.38	7.04	-26.57
COC1=CC=C(CN2CC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300020252986	0	52	0.0	-48.34	395.39	6.83	-41.51
COC1=CC=C(CN2CC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300020252986	1	52	0.0	-48.31	395.33	6.82	-41.49
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CCN2CCN2CCOCC2)=C1	REAL300020252987	0	50	0.0	-49.54	389.18	5.49	-44.05
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CCN2CCN2CCOCC2)=C1	REAL300020252987	1	50	0.0	-49.54	389.12	5.47	-44.07
CSCC[C@H](NC1=[NH+]CCN1CCN1CCOCC1)C1=NN=N[N-]1	REAL300020252988	0	50	0.0	-37.81	398.68	3.84	-33.97
CSCC[C@H](NC1=[NH+]CCN1CCN1CCOCC1)C1=N[N-]N=N1	REAL300020252988	1	50	0.0	-37.80	398.62	3.82	-33.98
C(CN1CCOCC1)N1CC[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020252989	0	50	0.0	-49.63	370.74	3.67	-45.96
C(CN1CCOCC1)N1CC[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020252989	1	50	0.0	-49.61	370.68	3.66	-45.95
CN1C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]CC1C1=CC=C(F)C=C1	REAL300020252990	0	44	0.0	-50.33	364.17	10.15	-40.18
CN1C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=[NH+]CC1C1=CC=C(F)C=C1	REAL300020252990	1	44	0.0	-50.38	364.11	10.13	-40.25
CSCC[C@H](NC1=[NH+]CC(C2=CC=C(F)C=C2)N1C)C1=NN=N[N-]1	REAL300020252991	0	44	0.0	-35.96	373.59	8.53	-27.43
CSCC[C@H](NC1=[NH+]CC(C2=CC=C(F)C=C2)N1C)C1=N[N-]N=N1	REAL300020252991	1	44	0.0	-35.94	373.53	8.50	-27.44
CN1C(N2CCC(C3=NN=N[N-]3)CC2)=[NH+]CC1C1=CC=C(F)C=C1	REAL300020252992	0	44	0.0	-52.70	346.41	8.40	-44.30
CN1C(N2CCC(C3=N[N-]N=N3)CC2)=[NH+]CC1C1=CC=C(F)C=C1	REAL300020252992	1	44	0.0	-52.67	346.35	8.39	-44.28
CC(C)(C)OC(=O)N1CCN2C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)=[NH+]CC2C1	REAL300020252993	0	55	0.0	-49.05	422.17	8.60	-40.45
CC(C)(C)OC(=O)N1CCN2C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)=[NH+]CC2C1	REAL300020252993	1	55	0.0	-49.03	422.12	8.58	-40.45
CSCC[C@H](NC1=[NH+]CC2CN(C(=O)OC(C)(C)C)CCN12)C1=NN=N[N-]1	REAL300020252994	0	55	0.0	-38.25	431.45	7.00	-31.25
CSCC[C@H](NC1=[NH+]CC2CN(C(=O)OC(C)(C)C)CCN12)C1=N[N-]N=N1	REAL300020252994	1	55	0.0	-38.15	431.40	6.98	-31.17
CC(C)(C)OC(=O)N1CCN2C(N3CCC(C4=NN=N[N-]4)CC3)=[NH+]CC2C1	REAL300020252995	0	55	0.0	-52.10	404.41	6.89	-45.21
CC(C)(C)OC(=O)N1CCN2C(N3CCC(C4=N[N-]N=N4)CC3)=[NH+]CC2C1	REAL300020252995	1	55	0.0	-52.08	404.35	6.87	-45.21
C1=CC=C(C2CC[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)C=C1	REAL300020252996	0	44	0.0	-48.92	355.39	9.05	-39.87
C1=CC=C(C2CC[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)C=C1	REAL300020252996	1	44	0.0	-48.97	355.34	9.03	-39.94
CSCC[C@H](NC1=[NH+]CCC(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020252997	0	44	0.0	-34.35	364.34	7.23	-27.12
CSCC[C@H](NC1=[NH+]CCC(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020252997	1	44	0.0	-34.35	364.28	7.22	-27.13
C1=CC=C(C2CC[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2)C=C1	REAL300020252998	0	44	0.0	-49.94	340.16	7.70	-42.24
C1=CC=C(C2CC[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2)C=C1	REAL300020252998	1	44	0.0	-49.91	340.11	7.69	-42.22
CC(C)(C)OC(=O)NC1CNC(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]C1	REAL300020252999	0	51	0.0	-50.17	402.11	4.92	-45.25
CC(C)(C)OC(=O)NC1CNC(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=[NH+]C1	REAL300020252999	1	51	0.0	-50.14	402.05	4.89	-45.25
CSCC[C@H](NC1=[NH+]CC(NC(=O)OC(C)(C)C)CN1)C1=NN=N[N-]1	REAL300020253000	0	51	0.0	-43.03	410.32	3.24	-39.79
CSCC[C@H](NC1=[NH+]CC(NC(=O)OC(C)(C)C)CN1)C1=N[N-]N=N1	REAL300020253000	1	51	0.0	-43.06	410.26	3.22	-39.84
CC(C)(C)OC(=O)NC1CNC(N2CCC(C3=NN=N[N-]3)CC2)=[NH+]C1	REAL300020253001	0	51	0.0	-51.39	385.81	3.65	-47.74
CC(C)(C)OC(=O)NC1CNC(N2CCC(C3=N[N-]N=N3)CC2)=[NH+]C1	REAL300020253001	1	51	0.0	-51.33	385.75	3.64	-47.69
FC(F)(F)C1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020253002	1	34	0.0	-53.21	298.14	5.21	-48.00
CSCC[C@H](NC1=[NH+]CC(C(F)(F)F)N1)C1=NN=N[N-]1	REAL300020253003	0	34	0.0	-35.73	307.63	3.60	-32.13
CSCC[C@H](NC1=[NH+]CC(C(F)(F)F)N1)C1=N[N-]N=N1	REAL300020253003	1	34	0.0	-35.69	307.57	3.57	-32.12
OCCOCCN1CC[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253004	0	45	0.0	-47.72	367.00	3.97	-43.75
OCCOCCN1CC[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253004	1	45	0.0	-47.68	366.94	3.95	-43.73
CSCC[C@H](NC1=[NH+]CCN1CCOCCO)C1=NN=N[N-]1	REAL300020253005	0	45	0.0	-35.26	376.46	2.31	-32.95
CSCC[C@H](NC1=[NH+]CCN1CCOCCO)C1=N[N-]N=N1	REAL300020253005	1	45	0.0	-35.29	376.40	2.29	-33.00
OCCOCCN1CC[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020253006	0	45	0.0	-48.71	349.16	2.13	-46.58
OCCOCCN1CC[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020253006	1	45	0.0	-48.66	349.10	2.12	-46.54
CCOC1CNC(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]C1	REAL300020253007	0	41	0.0	-44.55	331.27	5.09	-39.46
CCOC1CNC(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=[NH+]C1	REAL300020253007	1	41	0.0	-44.56	331.22	5.07	-39.49
FC(F)(F)CCN1CC[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253008	0	40	0.0	-51.61	340.47	8.14	-43.47
FC(F)(F)CCN1CC[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253008	1	40	0.0	-51.55	340.41	8.12	-43.43
CSCC[C@H](NC1=[NH+]CCN1CCC(F)(F)F)C1=NN=N[N-]1	REAL300020253009	0	40	0.0	-38.10	349.95	6.49	-31.61
CSCC[C@H](NC1=[NH+]CCN1CCC(F)(F)F)C1=N[N-]N=N1	REAL300020253009	1	40	0.0	-38.05	349.89	6.47	-31.58
FC(F)(F)CCN1CC[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020253010	0	40	0.0	-51.61	321.99	6.33	-45.28
FC(F)(F)CCN1CC[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020253010	1	40	0.0	-51.61	321.93	6.31	-45.30
CCC(CC)N1CC[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253011	0	46	0.0	-43.82	354.68	9.64	-34.18
CCC(CC)N1CC[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253011	1	46	0.0	-43.84	354.63	9.62	-34.22
CCC(CC)N1CC[NH+]=C1N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020253012	0	46	0.0	-33.37	368.94	7.99	-25.38
CCC(CC)N1CC[NH+]=C1N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020253012	1	46	0.0	-33.33	368.89	7.96	-25.37
CC(C)CC1CN(C)C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]1	REAL300020253013	0	46	0.0	-42.53	362.26	8.54	-33.99
CC(C)CC1CN(C)C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=[NH+]1	REAL300020253013	1	46	0.0	-42.48	362.20	8.51	-33.97
CSCC[C@H](NC1=[NH+]C(CC(C)C)CN1C)C1=NN=N[N-]1	REAL300020253014	0	46	0.0	-33.64	367.44	7.20	-26.44
CSCC[C@H](NC1=[NH+]C(CC(C)C)CN1C)C1=N[N-]N=N1	REAL300020253014	1	46	0.0	-33.64	367.38	7.17	-26.47
CCN1CC(CC(C)C)[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253015	0	49	0.0	-45.11	380.57	9.81	-35.30
CCN1CC(CC(C)C)[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253015	1	49	0.0	-45.07	380.51	9.78	-35.29
CCN1CC(CC(C)C)[NH+]=C1N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020253016	0	49	0.0	-34.00	390.06	8.15	-25.85
CCN1CC(CC(C)C)[NH+]=C1N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020253016	1	49	0.0	-33.94	390.01	8.13	-25.81
CCN1CC(CC(C)C)[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020253017	0	49	0.0	-45.84	362.12	7.99	-37.85
CCN1CC(CC(C)C)[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020253017	1	49	0.0	-45.85	362.06	7.97	-37.88
CCN1CC(C2=CC=CC=C2)[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253018	0	47	0.0	-47.48	380.51	10.88	-36.60
CCN1CC(C2=CC=CC=C2)[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253018	1	47	0.0	-47.50	380.45	10.86	-36.64
CCN1CC(C2=CC=CC=C2)[NH+]=C1N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020253019	0	47	0.0	-32.47	389.91	9.20	-23.27
CCN1CC(C2=CC=CC=C2)[NH+]=C1N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020253019	1	47	0.0	-32.45	389.85	9.17	-23.28
CCN1CC(C2=CC=CC=C2)[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020253020	0	47	0.0	-46.86	362.17	9.08	-37.78
CCN1CC(C2=CC=CC=C2)[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020253020	1	47	0.0	-46.82	362.11	9.06	-37.76
CC(C)C1CN(CC2=CC=CC=C2)C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]1	REAL300020253021	0	53	0.0	-47.82	416.69	12.03	-35.79
CC(C)C1CN(CC2=CC=CC=C2)C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=[NH+]1	REAL300020253021	1	53	0.0	-47.80	416.64	12.00	-35.80
CSCC[C@H](NC1=[NH+]C(C(C)C)CN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020253022	0	53	0.0	-32.09	425.31	10.36	-21.73
CSCC[C@H](NC1=[NH+]C(C(C)C)CN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020253022	1	53	0.0	-32.05	425.26	10.34	-21.71
CC(C)C1CN(CC2=CC=CC=C2)C(N2CCC(C3=NN=N[N-]3)CC2)=[NH+]1	REAL300020253023	0	53	0.0	-47.49	397.39	10.40	-37.09
CC(C)C1CN(CC2=CC=CC=C2)C(N2CCC(C3=N[N-]N=N3)CC2)=[NH+]1	REAL300020253023	1	53	0.0	-47.46	397.33	10.38	-37.08
C1=CC=C2CN3C(NC4=CC=CC(CC5=NN=N[N-]5)=C4)=[NH+]CC3CC2=C1	REAL300020253024	0	45	0.0	-45.84	357.87	10.02	-35.82
C1=CC=C2CN3C(NC4=CC=CC(CC5=N[N-]N=N5)=C4)=[NH+]CC3CC2=C1	REAL300020253024	1	45	0.0	-45.85	357.81	10.00	-35.85
CSCC[C@H](NC1=[NH+]CC2CC3=CC=CC=C3CN12)C1=NN=N[N-]1	REAL300020253025	0	45	0.0	-33.96	367.10	8.36	-25.60
CSCC[C@H](NC1=[NH+]CC2CC3=CC=CC=C3CN12)C1=N[N-]N=N1	REAL300020253025	1	45	0.0	-33.99	367.04	8.33	-25.66
C1=CC=C2CN3C(N4CCC(C5=NN=N[N-]5)CC4)=[NH+]CC3CC2=C1	REAL300020253026	0	45	0.0	-48.66	339.87	8.25	-40.41
C1=CC=C2CN3C(N4CCC(C5=N[N-]N=N5)CC4)=[NH+]CC3CC2=C1	REAL300020253026	1	45	0.0	-48.67	339.82	8.23	-40.44
COCCN1CCC[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253027	0	44	0.0	-37.31	349.23	6.98	-30.33
COCCN1CCC[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253027	1	44	0.0	-37.30	349.18	6.95	-30.35
COCCN1CCC[NH+]=C1N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020253028	0	44	0.0	-31.39	357.05	5.28	-26.11
COCCN1CCC[NH+]=C1N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020253028	1	44	0.0	-31.38	357.00	5.27	-26.11
CC1=CC=C(C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)O1	REAL300020253029	0	41	0.0	-46.50	342.28	6.78	-39.72
CSCC[C@H](NC1=[NH+]CC(C2=CC=C(C)O2)N1)C1=NN=N[N-]1	REAL300020253030	0	41	0.0	-39.46	351.63	5.14	-34.32
CSCC[C@H](NC1=[NH+]CC(C2=CC=C(C)O2)N1)C1=N[N-]N=N1	REAL300020253030	1	41	0.0	-39.44	351.57	5.12	-34.32
CC1=CC=C(C2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2)O1	REAL300020253031	0	41	0.0	-52.15	323.95	5.76	-46.39
CC1=CC=C(C2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2)O1	REAL300020253031	1	41	0.0	-52.11	323.89	5.74	-46.37
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CC(C3CCCC3)N2)=C1	REAL300020253032	0	44	0.0	-47.49	344.03	7.37	-40.12
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CC(C3CCCC3)N2)=C1	REAL300020253032	1	44	0.0	-47.49	343.98	7.33	-40.16
CSCC[C@H](NC1=[NH+]CC(C2CCCC2)N1)C1=NN=N[N-]1	REAL300020253033	0	44	0.0	-35.51	352.89	5.79	-29.72
CSCC[C@H](NC1=[NH+]CC(C2CCCC2)N1)C1=N[N-]N=N1	REAL300020253033	1	44	0.0	-35.49	352.83	5.76	-29.73
CN1C=C(C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)C=N1	REAL300020253034	0	41	0.0	-53.46	342.11	5.68	-47.78
CN1C=C(C2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)C=N1	REAL300020253034	1	41	0.0	-53.42	342.06	5.65	-47.77
CSCC[C@H](NC1=[NH+]CC(C2=CN(C)N=C2)N1)C1=NN=N[N-]1	REAL300020253035	0	41	0.0	-38.12	351.43	4.02	-34.10
CSCC[C@H](NC1=[NH+]CC(C2=CN(C)N=C2)N1)C1=N[N-]N=N1	REAL300020253035	1	41	0.0	-38.09	351.37	3.99	-34.10
CN1C=C(C2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2)C=N1	REAL300020253036	0	41	0.0	-56.13	323.74	4.66	-51.47
CN1C=C(C2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2)C=N1	REAL300020253036	1	41	0.0	-56.10	323.68	4.64	-51.46
CSCC[C@H](NC1=[NH+]CC(C(F)(F)F)N1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020253037	0	47	0.0	-36.46	404.79	9.39	-27.07
CSCC[C@H](NC1=[NH+]CC(C(F)(F)F)N1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020253037	1	47	0.0	-36.42	404.73	9.36	-27.06
FC(F)(F)C1C[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)N1CC1=CC=CC=C1	REAL300020253038	0	47	0.0	-50.26	376.39	9.15	-41.11
FC(F)(F)C1C[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)N1CC1=CC=CC=C1	REAL300020253038	1	47	0.0	-50.26	376.33	9.13	-41.13
CCC(C)N1C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]CC1C1=CC=CO1	REAL300020253039	0	50	0.0	-45.67	393.85	10.35	-35.32
CCC(C)N1C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=[NH+]CC1C1=CC=CO1	REAL300020253039	1	50	0.0	-45.67	393.79	10.32	-35.35
CCC(C)N1C(N[C@@H](CCSC)C2=NN=N[N-]2)=[NH+]CC1C1=CC=CO1	REAL300020253040	0	50	0.0	-36.29	403.43	8.58	-27.71
CCC(C)N1C(N[C@@H](CCSC)C2=N[N-]N=N2)=[NH+]CC1C1=CC=CO1	REAL300020253040	1	50	0.0	-36.22	403.38	8.55	-27.67
CCC(C)N1C(N2CCC(C3=NN=N[N-]3)CC2)=[NH+]CC1C1=CC=CO1	REAL300020253041	0	50	0.0	-46.94	375.09	8.52	-38.42
CCC(C)N1C(N2CCC(C3=N[N-]N=N3)CC2)=[NH+]CC1C1=CC=CO1	REAL300020253041	1	50	0.0	-46.95	375.03	8.50	-38.45
C1=COC(C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2CC2=CC=CC=C2)=C1	REAL300020253042	0	51	0.0	-48.53	409.01	11.54	-36.99
C1=COC(C2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2CC2=CC=CC=C2)=C1	REAL300020253042	1	51	0.0	-48.55	408.95	11.52	-37.03
CSCC[C@H](NC1=[NH+]CC(C2=CC=CO2)N1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020253043	0	51	0.0	-40.05	418.28	9.88	-30.17
CSCC[C@H](NC1=[NH+]CC(C2=CC=CO2)N1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020253043	1	51	0.0	-40.01	418.22	9.86	-30.15
C1=COC(C2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2CC2=CC=CC=C2)=C1	REAL300020253044	0	51	0.0	-48.40	393.00	9.67	-38.73
C1=COC(C2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2CC2=CC=CC=C2)=C1	REAL300020253044	1	51	0.0	-48.39	392.95	9.65	-38.74
CC1=NC(C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)=CS1	REAL300020253045	0	40	0.0	-46.48	344.09	5.82	-40.66
CC1=NC(C2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)=CS1	REAL300020253045	1	40	0.0	-46.44	344.04	5.79	-40.65
CSCC[C@H](NC1=[NH+]CC(C2=CSC(C)=N2)N1)C1=NN=N[N-]1	REAL300020253046	0	40	0.0	-36.37	353.52	4.15	-32.22
CSCC[C@H](NC1=[NH+]CC(C2=CSC(C)=N2)N1)C1=N[N-]N=N1	REAL300020253046	1	40	0.0	-36.35	353.46	4.13	-32.22
CC1=NC(C2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2)=CS1	REAL300020253047	0	40	0.0	-49.13	325.69	4.79	-44.34
CC1=NC(C2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2)=CS1	REAL300020253047	1	40	0.0	-49.15	325.63	4.77	-44.38
C[C@H]1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1CC1=CC=CC=C1	REAL300020253048	0	47	0.0	-47.06	379.72	10.70	-36.36
C[C@H]1C[NH+]=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1CC1=CC=CC=C1	REAL300020253048	1	47	0.0	-47.02	379.66	10.68	-36.34
CSCC[C@H](NC1=[NH+]C[C@H](C)N1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020253049	0	47	0.0	-36.19	387.30	9.07	-27.12
CSCC[C@H](NC1=[NH+]C[C@H](C)N1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020253049	1	47	0.0	-36.18	387.25	9.04	-27.14
C[C@H]1C[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)N1CC1=CC=CC=C1	REAL300020253050	0	47	0.0	-46.99	360.09	8.81	-38.18
C[C@H]1C[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)N1CC1=CC=CC=C1	REAL300020253050	1	47	0.0	-46.99	360.04	8.79	-38.20
C[C@H]1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1CC(F)F	REAL300020253051	0	40	0.0	-47.99	332.09	7.86	-40.13
CSCC[C@H](NC1=[NH+]C[C@H](C)N1CC(F)F)C1=NN=N[N-]1	REAL300020253052	0	40	0.0	-39.28	341.42	6.22	-33.06
CSCC[C@H](NC1=[NH+]C[C@H](C)N1CC(F)F)C1=N[N-]N=N1	REAL300020253052	1	40	0.0	-39.27	341.36	6.20	-33.07
CC(C)(C)CC1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020253053	0	46	0.0	-48.12	351.49	7.69	-40.43
CC(C)(C)CC1C[NH+]=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1	REAL300020253053	1	46	0.0	-48.15	351.43	7.66	-40.49
CSCC[C@H](NC1=[NH+]CC(CC(C)(C)C)N1)C1=NN=N[N-]1	REAL300020253054	0	46	0.0	-34.84	360.63	6.11	-28.73
CSCC[C@H](NC1=[NH+]CC(CC(C)(C)C)N1)C1=N[N-]N=N1	REAL300020253054	1	46	0.0	-34.82	360.57	6.08	-28.74
ClC1=CC=C(C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)C=C1	REAL300020253055	0	41	0.0	-53.49	355.09	8.51	-44.98
ClC1=CC=C(C2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)C=C1	REAL300020253055	1	41	0.0	-53.47	355.03	8.49	-44.98
CSCC[C@H](NC1=[NH+]CC(C2=CC=C(Cl)C=C2)N1)C1=NN=N[N-]1	REAL300020253056	0	41	0.0	-36.87	364.58	6.87	-30.00
CSCC[C@H](NC1=[NH+]CC(C2=CC=C(Cl)C=C2)N1)C1=N[N-]N=N1	REAL300020253056	1	41	0.0	-36.84	364.52	6.84	-30.00
ClC1=CC=C(C2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2)C=C1	REAL300020253057	0	41	0.0	-54.51	336.75	7.57	-46.94
ClC1=CC=C(C2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2)C=C1	REAL300020253057	1	41	0.0	-54.49	336.69	7.55	-46.94
CC(C1=CC=CC=C1)C1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020253058	0	47	0.0	-51.72	374.90	8.91	-42.81
CC(C1=CC=CC=C1)C1C[NH+]=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1	REAL300020253058	1	47	0.0	-51.71	374.84	8.89	-42.82
CSCC[C@H](NC1=[NH+]CC(C(C)C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020253059	0	47	0.0	-35.62	378.70	7.81	-27.81
CSCC[C@H](NC1=[NH+]CC(C(C)C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020253059	1	47	0.0	-35.63	378.64	7.79	-27.84
CC(C1=CC=CC=C1)C1C[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)N1	REAL300020253060	0	47	0.0	-50.12	357.17	7.95	-42.17
CC(C1=CC=CC=C1)C1C[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)N1	REAL300020253060	1	47	0.0	-50.08	357.11	7.94	-42.14
CSCC[C@H](NC1=[NH+]CCN1CCN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020253064	0	57	0.0	-37.01	456.74	7.73	-29.28
CSCC[C@H](NC1=[NH+]CCN1CCN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020253064	1	57	0.0	-37.01	456.69	7.71	-29.30
CN(CCN1CC[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300020253065	0	57	0.0	-51.69	428.77	7.57	-44.12
CN(CCN1CC[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300020253065	1	57	0.0	-51.68	428.71	7.56	-44.12
CC(C)C1[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC1C(F)(F)F	REAL300020253066	1	43	0.0	-51.10	344.20	7.28	-43.82
CSCC[C@H](NC1=[NH+]C(C(C)C)C(C(F)(F)F)N1)C1=NN=N[N-]1	REAL300020253067	0	43	0.0	-34.82	353.10	5.58	-29.24
CSCC[C@H](NC1=[NH+]C(C(C)C)C(C(F)(F)F)N1)C1=N[N-]N=N1	REAL300020253067	1	43	0.0	-34.79	353.04	5.56	-29.23
CC(C)C1[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)NC1C(F)(F)F	REAL300020253068	0	43	0.0	-49.71	325.00	6.13	-43.58
CC(C)C1[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)NC1C(F)(F)F	REAL300020253068	1	43	0.0	-49.69	324.94	6.12	-43.57
CN1C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]CC1C(F)(F)F	REAL300020253069	1	37	0.0	-49.20	314.61	7.08	-42.12
CSCC[C@H](NC1=[NH+]CC(C(F)(F)F)N1C)C1=NN=N[N-]1	REAL300020253070	0	37	0.0	-33.91	323.64	5.40	-28.51
CSCC[C@H](NC1=[NH+]CC(C(F)(F)F)N1C)C1=N[N-]N=N1	REAL300020253070	1	37	0.0	-33.92	323.58	5.38	-28.54
CN1C(N2CCC(C3=NN=N[N-]3)CC2)=[NH+]CC1C(F)(F)F	REAL300020253071	0	37	0.0	-49.84	296.08	5.29	-44.55
CN1C(N2CCC(C3=N[N-]N=N3)CC2)=[NH+]CC1C(F)(F)F	REAL300020253071	1	37	0.0	-49.82	296.03	5.27	-44.55
FC1=CC=CC(F)=C1C1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020253072	0	41	0.0	-45.18	343.45	7.38	-37.80
FC1=CC=CC(F)=C1C1C[NH+]=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1	REAL300020253072	1	41	0.0	-45.20	343.39	7.36	-37.84
CSCC[C@H](NC1=[NH+]CC(C2=C(F)C=CC=C2F)N1)C1=NN=N[N-]1	REAL300020253073	0	41	0.0	-35.71	355.53	5.71	-30.00
CSCC[C@H](NC1=[NH+]CC(C2=C(F)C=CC=C2F)N1)C1=N[N-]N=N1	REAL300020253073	1	41	0.0	-35.68	355.47	5.69	-29.99
FC1=CC=CC(F)=C1C1C[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)N1	REAL300020253074	0	41	0.0	-47.15	327.93	6.37	-40.78
FC1=CC=CC(F)=C1C1C[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)N1	REAL300020253074	1	41	0.0	-47.17	327.87	6.36	-40.81
CC1[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC1C(O)C1=CC=CC=C1	REAL300020253075	0	48	0.0	-46.92	387.81	6.23	-40.69
CC1[NH+]=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC1C(O)C1=CC=CC=C1	REAL300020253075	1	48	0.0	-46.91	387.75	6.20	-40.71
CSCC[C@H](NC1=[NH+]C(C)C(C(O)C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020253076	0	48	0.0	-35.01	390.19	4.73	-30.28
CSCC[C@H](NC1=[NH+]C(C)C(C(O)C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020253076	1	48	0.0	-34.98	390.13	4.70	-30.28
CC1[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)NC1C(O)C1=CC=CC=C1	REAL300020253077	0	48	0.0	-49.76	361.45	5.42	-44.34
CC1[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)NC1C(O)C1=CC=CC=C1	REAL300020253077	1	48	0.0	-49.78	361.40	5.41	-44.37
CN1C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]CC1C(F)(F)C(F)(F)F	REAL300020253078	0	40	0.0	-46.05	341.81	7.72	-38.33
CSCC[C@H](NC1=[NH+]CC(C(F)(F)C(F)(F)F)N1C)C1=NN=N[N-]1	REAL300020253079	0	40	0.0	-33.56	351.62	6.09	-27.47
CSCC[C@H](NC1=[NH+]CC(C(F)(F)C(F)(F)F)N1C)C1=N[N-]N=N1	REAL300020253079	1	40	0.0	-33.47	351.56	6.06	-27.41
CN1C(N2CCC(C3=NN=N[N-]3)CC2)=[NH+]CC1C(F)(F)C(F)(F)F	REAL300020253080	0	40	0.0	-49.40	323.17	5.95	-43.45
CN1C(N2CCC(C3=N[N-]N=N3)CC2)=[NH+]CC1C(F)(F)C(F)(F)F	REAL300020253080	1	40	0.0	-49.39	323.11	5.93	-43.46
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+][C@@H]3CCCCC[C@@H]3N2)=C1	REAL300020253081	0	44	0.0	-46.55	334.13	7.12	-39.43
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+][C@@H]3CCCCC[C@@H]3N2)=C1	REAL300020253081	1	44	0.0	-46.54	334.07	7.09	-39.45
CSCC[C@H](NC1=[NH+][C@H]2CCCCC[C@H]2N1)C1=NN=N[N-]1	REAL300020253082	0	44	0.0	-33.03	343.16	5.40	-27.63
CSCC[C@H](NC1=[NH+][C@H]2CCCCC[C@H]2N1)C1=N[N-]N=N1	REAL300020253082	1	44	0.0	-33.04	343.10	5.38	-27.66
COCCN1CC[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253083	0	41	0.0	-45.69	333.77	6.11	-39.58
COCCN1CC[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253083	1	41	0.0	-45.65	333.71	6.09	-39.56
CSCC[C@H](NC1=[NH+]CCN1C1=NN(C)C=C1)C1=NN=N[N-]1	REAL300020253085	0	41	0.0	-37.04	348.13	6.94	-30.10
CSCC[C@H](NC1=[NH+]CCN1C1=NN(C)C=C1)C1=N[N-]N=N1	REAL300020253085	1	41	0.0	-37.05	348.07	6.92	-30.13
CN1C=CC(N2CC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020253086	0	41	0.0	-48.07	321.92	6.81	-41.26
CN1C=CC(N2CC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020253086	1	41	0.0	-48.09	321.86	6.80	-41.29
CSCC[C@H](NC1=[NH+]CCN1C1=CC(C)=NN1C)C1=NN=N[N-]1	REAL300020253088	0	44	0.0	-36.36	373.63	6.89	-29.47
CSCC[C@H](NC1=[NH+]CCN1C1=CC(C)=NN1C)C1=N[N-]N=N1	REAL300020253088	1	44	0.0	-36.36	373.57	6.87	-29.49
CC1=NN(C)C(N2CC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020253089	0	44	0.0	-50.05	343.32	6.66	-43.39
CC1=NN(C)C(N2CC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020253089	1	44	0.0	-50.02	343.27	6.64	-43.38
CSCC[C@H](NC1=[NH+]CCN1OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020253091	0	45	0.0	-37.06	385.26	8.20	-28.86
CSCC[C@H](NC1=[NH+]CCN1OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020253091	1	45	0.0	-37.05	385.21	8.17	-28.88
C1=CC=C(CON2CC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020253092	0	45	0.0	-49.86	358.97	8.43	-41.43
C1=CC=C(CON2CC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020253092	1	45	0.0	-49.85	358.91	8.42	-41.43
CC(C)C1O[C@@H]2CNC(NC3=CC=CC(CC4=NN=N[N-]4)=C3)=[NH+]C[C@H]2O1	REAL300020253093	0	49	0.0	-45.34	380.23	6.45	-38.89
CC(C)C1O[C@@H]2CNC(NC3=CC=CC(CC4=N[N-]N=N4)=C3)=[NH+]C[C@H]2O1	REAL300020253093	1	49	0.0	-45.32	380.17	6.42	-38.90
CSCC[C@H](NC1=[NH+]C[C@H]2OC(C(C)C)O[C@@H]2CN1)C1=NN=N[N-]1	REAL300020253094	0	49	0.0	-34.14	384.78	4.65	-29.49
CSCC[C@H](NC1=[NH+]C[C@H]2OC(C(C)C)O[C@@H]2CN1)C1=N[N-]N=N1	REAL300020253094	1	49	0.0	-34.12	384.71	4.64	-29.48
CC(C)C1O[C@@H]2CNC(N3CCC(C4=NN=N[N-]4)CC3)=[NH+]C[C@H]2O1	REAL300020253095	0	49	0.0	-49.56	361.46	5.43	-44.13
CC(C)C1O[C@@H]2CNC(N3CCC(C4=N[N-]N=N4)CC3)=[NH+]C[C@H]2O1	REAL300020253095	1	49	0.0	-49.53	361.40	5.42	-44.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020253104	0	52	0.0	-69.27	401.63	9.28	-59.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020253104	1	52	0.0	-69.53	394.10	10.01	-59.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020253104	1	52	0.0	-69.28	401.69	9.30	-59.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020253104	1	52	0.0	-69.53	394.16	10.02	-59.51
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020253105	0	49	0.0	-68.95	379.08	8.47	-60.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020253105	1	49	0.0	-68.52	372.60	9.22	-59.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020253105	1	49	0.0	-68.94	379.13	8.50	-60.44
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020253105	1	49	0.0	-68.57	372.66	9.24	-59.33
CCN(CC)C(=O)C[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253178	1	58	0.0	-74.90	435.65	8.56	-66.34
CCN(CC)C(=O)C[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253178	1	58	0.0	-75.07	431.55	7.48	-67.59
CCN(CC)C(=O)C[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253179	1	55	0.0	-72.67	413.17	7.74	-64.93
CCN(CC)C(=O)C[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253179	1	55	0.0	-71.04	410.76	7.11	-63.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC(=O)N2CCCC2)CC1	REAL300020253180	1	56	0.0	-75.53	417.57	6.89	-68.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1	REAL300020253180	1	56	0.0	-72.62	426.69	7.44	-65.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC(=O)N2CCCC2)CC1	REAL300020253181	1	53	0.0	-71.15	404.62	6.63	-64.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1	REAL300020253181	1	53	0.0	-73.10	399.19	7.12	-65.98
CCOC1=CC=CC=C1C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)C1	REAL300020253234	1	56	0.0	-64.29	417.36	9.14	-55.15
CCOC1=CC=CC=C1C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)C1	REAL300020253234	1	56	0.0	-65.87	428.26	8.33	-57.54
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253400	0	53	0.0	-69.13	389.40	6.52	-62.61
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253400	1	53	0.0	-69.42	384.08	6.44	-62.98
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253400	1	53	0.0	-69.14	389.45	6.53	-62.61
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253400	1	53	0.0	-69.40	384.14	6.45	-62.95
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253401	0	50	0.0	-67.68	377.33	4.71	-62.97
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253401	1	50	0.0	-68.92	362.61	5.65	-63.27
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253401	1	50	0.0	-67.70	377.39	4.73	-62.97
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253401	1	50	0.0	-68.94	362.67	5.68	-63.26
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020253467	0	55	0.0	-66.94	407.73	10.08	-56.86
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020253467	1	55	0.0	-65.39	413.31	9.93	-55.46
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020253467	1	55	0.0	-66.97	407.79	10.09	-56.88
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020253467	1	55	0.0	-65.44	413.37	9.95	-55.49
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020253468	0	52	0.0	-67.22	386.24	9.29	-57.93
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020253468	1	52	0.0	-68.16	383.70	8.66	-59.50
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020253468	1	52	0.0	-67.23	386.29	9.32	-57.91
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020253468	1	52	0.0	-68.18	383.76	8.68	-59.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253589	0	53	0.0	-69.53	412.06	9.56	-59.97
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253589	1	53	0.0	-69.59	407.92	9.46	-60.13
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253589	1	53	0.0	-69.52	412.12	9.57	-59.95
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253589	1	53	0.0	-69.66	407.97	9.48	-60.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253590	0	50	0.0	-65.16	390.73	8.77	-56.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253590	1	50	0.0	-64.43	387.43	8.71	-55.72
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253590	1	50	0.0	-65.18	390.79	8.79	-56.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253590	1	50	0.0	-64.47	387.48	8.74	-55.73
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020253621	0	46	0.0	-62.92	355.09	7.35	-55.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020253621	1	46	0.0	-62.57	348.15	7.50	-55.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020253621	1	46	0.0	-62.91	355.15	7.37	-55.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020253621	1	46	0.0	-62.56	348.21	7.52	-55.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020253622	0	43	0.0	-61.06	333.39	6.60	-54.46
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020253622	1	43	0.0	-60.60	333.09	6.36	-54.24
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020253622	1	43	0.0	-61.04	333.44	6.62	-54.42
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020253622	1	43	0.0	-60.61	333.15	6.39	-54.22
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020253623	0	50	0.0	-68.72	386.99	9.42	-59.30
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020253623	1	50	0.0	-68.31	380.25	9.60	-58.71
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020253623	1	50	0.0	-68.62	387.03	9.41	-59.21
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020253623	1	50	0.0	-68.26	380.29	9.60	-58.66
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020253624	0	52	0.0	-64.62	379.89	8.89	-55.73
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020253624	1	52	0.0	-64.61	385.87	8.27	-56.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020253624	1	52	0.0	-64.66	379.95	8.91	-55.75
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020253624	1	52	0.0	-64.59	385.92	8.29	-56.30
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020253625	0	49	0.0	-62.38	364.35	7.62	-54.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020253625	1	49	0.0	-62.16	356.34	7.03	-55.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020253625	1	49	0.0	-62.38	364.41	7.64	-54.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020253625	1	49	0.0	-62.14	356.40	7.05	-55.09
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020253626	0	56	0.0	-72.19	410.34	10.31	-61.88
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020253626	1	56	0.0	-70.99	416.42	10.46	-60.53
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020253626	1	56	0.0	-72.13	410.38	10.30	-61.83
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020253626	1	56	0.0	-71.00	416.46	10.44	-60.56
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020253730	0	55	0.0	-67.78	425.29	9.15	-58.63
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020253730	1	55	0.0	-67.76	425.34	9.16	-58.60
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020253731	0	52	0.0	-68.94	404.89	8.41	-60.53
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020253731	1	52	0.0	-68.95	404.95	8.44	-60.51
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020253812	0	55	0.0	-68.62	413.87	9.86	-58.76
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020253812	1	55	0.0	-66.98	407.65	9.19	-57.79
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020253812	1	55	0.0	-68.59	413.81	9.85	-58.74
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020253812	1	55	0.0	-67.00	407.60	9.18	-57.82
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020253813	0	52	0.0	-65.62	380.71	8.45	-57.17
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CC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020254156	1	58	0.0	-64.79	428.46	9.97	-54.82
CC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020254156	1	58	0.0	-65.05	422.23	9.66	-55.39
CC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020254156	1	58	0.0	-64.79	428.52	9.98	-54.81
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CC[N@@H+](CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1)CC1CC1	REAL300020254355	1	58	0.0	-69.65	427.44	9.91	-59.74
CC[N@H+](CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1)CC1CC1	REAL300020254355	1	58	0.0	-69.46	431.40	10.21	-59.25
CC[N@@H+](CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1)CC1CC1	REAL300020254355	1	58	0.0	-69.67	427.50	9.94	-59.73
CC(C1=CSC=C1)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254382	1	49	0.0	-66.61	388.68	8.47	-58.14
CC(C1=CSC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254383	1	46	0.0	-65.81	368.27	7.74	-58.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCCOCC(F)(F)F)CC1	REAL300020254409	0	49	0.0	-74.63	400.14	6.45	-68.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCCOCC(F)(F)F)CC1	REAL300020254409	1	49	0.0	-74.68	400.20	6.48	-68.20
CCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254523	1	49	0.0	-67.17	378.45	6.13	-61.04
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254524	1	46	0.0	-67.01	358.06	5.39	-61.62
CCOCC[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254525	1	53	0.0	-70.71	416.55	8.00	-62.71
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020254531	0	49	0.0	-67.33	365.95	7.60	-59.73
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020254531	1	49	0.0	-67.35	366.01	7.62	-59.73
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020254532	0	46	0.0	-68.15	345.50	6.87	-61.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020254532	1	46	0.0	-68.15	345.55	6.89	-61.26
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020254533	0	53	0.0	-72.54	397.92	9.70	-62.84
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020254533	1	53	0.0	-72.50	397.97	9.69	-62.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020254536	1	43	0.0	-64.73	328.93	6.42	-58.31
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020254537	1	47	0.0	-70.78	367.49	8.82	-61.96
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020254600	0	56	0.0	-65.47	421.87	8.37	-57.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020254601	0	53	0.0	-67.60	401.39	7.60	-60.00
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020254601	1	53	0.0	-67.57	401.45	7.62	-59.95
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254635	0	51	0.0	-69.00	386.56	7.95	-61.05
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254635	1	51	0.0	-68.76	383.60	7.94	-60.82
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254635	1	51	0.0	-68.95	386.62	7.97	-60.98
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254635	1	51	0.0	-68.76	383.65	7.95	-60.81
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254636	0	48	0.0	-67.00	364.85	7.22	-59.78
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254636	1	48	0.0	-69.31	366.20	7.20	-62.11
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254636	1	48	0.0	-67.03	364.90	7.24	-59.79
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254636	1	48	0.0	-69.33	366.26	7.23	-62.10
CCC[N@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254637	0	55	0.0	-72.43	415.68	10.00	-62.43
CCC[N@@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254637	1	55	0.0	-73.36	418.43	10.05	-63.31
CCC[N@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254637	1	55	0.0	-72.34	415.71	9.99	-62.35
CCC[N@@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254637	1	55	0.0	-73.33	418.45	10.04	-63.29
COC1=CC=CC(OCC[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254657	1	54	0.0	-73.90	421.91	7.24	-66.66
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300020254673	0	59	0.0	-70.81	444.62	8.29	-62.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300020254674	0	56	0.0	-74.32	418.12	7.57	-66.75
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254760	0	48	0.0	-70.63	362.71	5.85	-64.78
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254760	1	48	0.0	-70.66	362.76	5.86	-64.80
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254761	0	45	0.0	-71.40	342.07	5.06	-66.34
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254761	1	45	0.0	-71.38	342.13	5.08	-66.30
CC(C)[NH2+]C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254762	0	52	0.0	-75.72	394.43	7.91	-67.81
CC(C)[NH2+]C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254762	1	52	0.0	-75.73	394.46	7.91	-67.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020254789	0	58	0.0	-74.20	439.06	11.05	-63.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020254789	1	58	0.0	-73.71	439.15	11.06	-62.65
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020254789	1	58	0.0	-74.20	439.12	11.06	-63.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020254789	1	58	0.0	-73.70	439.21	11.07	-62.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020254790	0	55	0.0	-73.39	417.56	10.25	-63.14
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020254790	1	55	0.0	-74.69	418.70	10.30	-64.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020254790	1	55	0.0	-73.41	417.62	10.28	-63.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020254790	1	55	0.0	-74.70	418.76	10.33	-64.37
CC[NH+](CC)CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254796	0	55	0.0	-71.53	410.96	6.95	-64.58
CC[NH+](CC)CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254797	0	52	0.0	-73.40	389.47	6.18	-67.22
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300020254798	0	53	0.0	-72.45	403.55	6.97	-65.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300020254799	0	50	0.0	-74.46	382.05	6.19	-68.27
COC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254802	1	53	0.0	-65.33	406.55	8.45	-56.88
COC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254803	1	50	0.0	-64.86	386.14	7.70	-57.16
COC1=CC=CC(C(C)[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254814	1	56	0.0	-68.45	427.37	8.82	-59.63
COC1=CC=CC(C(C)[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254815	1	53	0.0	-64.43	405.87	8.03	-56.40
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254858	0	48	0.0	-66.77	362.89	7.40	-59.37
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254858	1	48	0.0	-66.78	362.95	7.42	-59.36
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254859	0	45	0.0	-67.00	342.48	6.64	-60.36
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254859	1	45	0.0	-67.07	342.54	6.67	-60.40
CC(C)C[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254860	0	52	0.0	-70.08	401.27	9.32	-60.76
CC(C)C[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254860	1	52	0.0	-70.09	401.33	9.31	-60.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C#N)C=C2)CC1	REAL300020254864	1	50	0.0	-82.88	403.76	9.29	-73.59
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C#N)C=C2)CC1	REAL300020254865	1	47	0.0	-80.00	382.26	8.50	-71.50
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020254866	1	50	0.0	-64.89	386.06	6.14	-58.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020254867	1	47	0.0	-63.81	365.61	5.43	-58.38
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020254868	1	54	0.0	-70.38	417.91	8.23	-62.15
CC1=CC=CC(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254869	0	52	0.0	-70.11	404.33	9.57	-60.54
CC1=CC=CC(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254870	1	49	0.0	-67.66	382.83	8.79	-58.87
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254876	0	51	0.0	-66.48	371.87	7.62	-58.86
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254876	1	51	0.0	-66.51	371.93	7.63	-58.88
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254877	0	48	0.0	-64.49	355.55	6.81	-57.68
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254877	1	48	0.0	-64.50	355.60	6.84	-57.66
CC[NH+](CC)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254878	0	55	0.0	-69.57	410.03	9.47	-60.10
CC[NH+](CC)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254878	1	55	0.0	-69.51	410.06	9.46	-60.05
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020254892	0	53	0.0	-69.92	403.05	6.71	-63.21
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020254892	1	53	0.0	-69.90	403.10	6.72	-63.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020254893	0	50	0.0	-68.78	374.14	6.11	-62.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020254893	1	50	0.0	-68.80	374.20	6.13	-62.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020254899	0	46	0.0	-65.17	352.43	7.29	-57.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020254900	0	43	0.0	-61.95	330.93	6.50	-55.45
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020254900	1	43	0.0	-61.95	330.87	6.48	-55.47
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020254901	0	50	0.0	-71.40	384.37	9.38	-62.02
CC1CCC([NH+]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020254905	0	55	0.0	-66.61	396.13	8.72	-57.89
CC1CCC([NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020254905	1	55	0.0	-66.62	396.19	8.74	-57.88
CC1CCC([NH+]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020254906	0	52	0.0	-64.13	387.37	8.15	-55.98
CC1CCC([NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020254906	1	52	0.0	-64.13	387.42	8.17	-55.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020254973	0	46	0.0	-65.48	362.86	7.32	-58.16
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020254973	1	46	0.0	-65.46	362.92	7.33	-58.13
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020254974	0	43	0.0	-67.44	335.06	6.76	-60.68
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020254974	1	43	0.0	-67.46	335.11	6.79	-60.67
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020254975	0	50	0.0	-71.05	393.83	9.43	-61.62
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020254975	1	50	0.0	-70.92	393.89	9.42	-61.50
CC1CCCC[N@@H+]1CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255012	0	61	0.0	-66.08	450.07	10.19	-55.89
CC1CCCC[N@H+]1CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255012	1	61	0.0	-68.43	443.48	10.45	-57.98
CC1CCCC[N@@H+]1CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255012	1	61	0.0	-66.14	450.13	10.20	-55.94
CC1CCCC[N@H+]1CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255012	1	61	0.0	-68.42	443.54	10.46	-57.96
CC1CCCC[N@@H+]1CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255013	0	58	0.0	-68.05	414.13	9.31	-58.74
CC1CCCC[N@H+]1CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255013	1	58	0.0	-70.18	421.99	9.66	-60.52
CC1CCCC[N@@H+]1CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255013	1	58	0.0	-68.08	414.19	9.34	-58.74
CC1CCCC[N@H+]1CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255013	1	58	0.0	-70.17	422.05	9.69	-60.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300020255020	0	56	0.0	-73.06	427.61	10.11	-62.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300020255020	1	56	0.0	-64.69	428.69	10.11	-54.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300020255020	1	56	0.0	-73.11	427.67	10.13	-62.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300020255020	1	56	0.0	-64.65	428.75	10.13	-54.52
CC(C)[NH+]1CCC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255021	0	60	0.0	-65.37	436.28	6.91	-58.46
CC(C)[NH+]1CCC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255021	1	60	0.0	-65.37	436.33	6.93	-58.44
CC(C)[NH+]1CCC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255022	0	57	0.0	-69.06	409.33	6.19	-62.87
CC(C)[NH+]1CCC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255022	1	57	0.0	-69.06	409.38	6.21	-62.85
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255023	0	60	0.0	-64.39	438.88	7.09	-57.30
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255023	1	60	0.0	-64.46	438.94	7.11	-57.35
CC(C)N1CC[NH+](C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255023	1	60	0.0	-66.97	436.26	6.90	-60.07
CC(C)N1CC[NH+](C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255023	1	60	0.0	-66.94	436.31	6.92	-60.02
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255024	0	57	0.0	-66.02	417.76	6.32	-59.70
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255024	1	57	0.0	-66.05	417.82	6.35	-59.70
CC(C)N1CC[NH+](C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255024	1	57	0.0	-67.01	414.76	6.11	-60.90
CC(C)N1CC[NH+](C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255024	1	57	0.0	-67.04	414.82	6.13	-60.91
CC[N@H+](CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1)CC(C)C	REAL300020255025	0	63	0.0	-69.36	453.93	10.59	-58.77
CC[N@@H+](CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1)CC(C)C	REAL300020255025	1	63	0.0	-68.94	458.58	10.85	-58.09
CC[N@H+](CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1)CC(C)C	REAL300020255025	1	63	0.0	-69.31	453.98	10.61	-58.70
CC[N@@H+](CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1)CC(C)C	REAL300020255025	1	63	0.0	-68.97	458.64	10.87	-58.10
CC[N@H+](CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1)CC(C)C	REAL300020255026	0	60	0.0	-68.65	436.65	10.04	-58.61
CC[N@@H+](CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1)CC(C)C	REAL300020255026	1	60	0.0	-68.36	437.09	10.06	-58.30
CC[N@H+](CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1)CC(C)C	REAL300020255026	1	60	0.0	-68.63	436.71	10.07	-58.56
CC[N@@H+](CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1)CC(C)C	REAL300020255026	1	60	0.0	-68.38	437.15	10.08	-58.30
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255048	1	52	0.0	-65.00	395.76	6.02	-58.98
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255048	1	52	0.0	-65.58	396.73	6.07	-59.51
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255049	1	49	0.0	-65.07	375.28	5.31	-59.76
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255049	1	49	0.0	-63.74	368.54	5.55	-58.19
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255050	1	56	0.0	-70.28	423.18	8.27	-62.01
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255050	1	56	0.0	-71.10	420.81	8.39	-62.71
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1[NH+]1CCOCC1	REAL300020255051	1	50	0.0	-63.93	373.74	5.65	-58.28
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1[NH+]1CCOCC1	REAL300020255052	1	47	0.0	-64.87	350.93	4.81	-60.06
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1[NH+]1CCOCC1	REAL300020255053	1	54	0.0	-69.54	404.54	7.74	-61.80
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)CC1	REAL300020255054	0	57	0.0	-63.61	417.24	6.18	-57.43
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)CC1	REAL300020255054	1	57	0.0	-63.63	417.30	6.19	-57.44
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)CC1	REAL300020255055	0	54	0.0	-62.11	397.99	5.36	-56.75
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)CC1	REAL300020255055	1	54	0.0	-62.12	398.04	5.38	-56.74
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255124	0	54	0.0	-67.47	396.80	8.64	-58.83
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255124	1	54	0.0	-68.42	396.83	8.64	-59.78
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255124	1	54	0.0	-67.49	396.86	8.65	-58.84
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255124	1	54	0.0	-68.43	396.89	8.65	-59.78
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255125	0	51	0.0	-66.87	375.30	7.85	-59.02
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255125	1	51	0.0	-70.61	376.43	7.88	-62.73
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255125	1	51	0.0	-66.89	375.36	7.87	-59.02
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255125	1	51	0.0	-70.60	376.49	7.91	-62.69
CC(C)[N@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255126	0	58	0.0	-73.21	429.05	10.76	-62.45
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255126	1	58	0.0	-73.62	426.60	10.51	-63.11
CC(C)[N@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255126	1	58	0.0	-73.18	429.09	10.74	-62.44
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255126	1	58	0.0	-73.57	426.63	10.51	-63.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020255140	0	54	0.0	-68.49	400.69	8.38	-60.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020255140	1	54	0.0	-68.50	400.74	8.39	-60.11
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020255141	0	51	0.0	-68.49	380.29	7.63	-60.86
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020255141	1	51	0.0	-68.48	380.35	7.65	-60.83
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020255142	0	58	0.0	-72.04	439.07	10.30	-61.74
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020255142	1	58	0.0	-71.99	439.13	10.29	-61.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300020255153	0	56	0.0	-66.36	418.73	10.24	-56.12
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300020255153	1	56	0.0	-67.67	413.72	9.69	-57.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300020255153	1	56	0.0	-66.35	418.79	10.26	-56.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300020255153	1	56	0.0	-67.70	413.78	9.71	-57.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020255164	0	53	0.0	-67.75	384.42	7.86	-59.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020255164	1	53	0.0	-64.91	389.35	8.28	-56.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020255164	1	53	0.0	-67.75	384.48	7.88	-59.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020255164	1	53	0.0	-64.92	389.41	8.30	-56.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020255165	0	50	0.0	-67.13	362.93	7.07	-60.06
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020255165	1	50	0.0	-66.09	367.85	7.48	-58.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020255165	1	50	0.0	-67.17	362.99	7.09	-60.08
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020255165	1	50	0.0	-66.12	367.91	7.50	-58.62
CC1CC[NH+](CC2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)CC1	REAL300020255176	0	58	0.0	-62.51	425.84	9.91	-52.60
CC1CC[NH+](CC2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)CC1	REAL300020255176	1	58	0.0	-62.49	425.90	9.93	-52.56
CC1CC[NH+](CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)CC1	REAL300020255177	0	55	0.0	-63.86	409.50	9.09	-54.77
CC1CC[NH+](CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)CC1	REAL300020255177	1	55	0.0	-63.88	409.55	9.12	-54.76
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255178	0	58	0.0	-60.50	427.13	9.74	-50.76
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255178	1	58	0.0	-63.44	419.69	9.41	-54.03
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255178	1	58	0.0	-60.51	427.19	9.75	-50.76
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255178	1	58	0.0	-63.43	419.75	9.43	-54.00
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255179	0	55	0.0	-61.57	405.64	8.94	-52.63
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255179	1	55	0.0	-63.71	393.47	8.73	-54.98
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255179	1	55	0.0	-61.58	405.70	8.97	-52.61
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255179	1	55	0.0	-63.76	393.52	8.75	-55.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020255186	0	46	0.0	-63.57	353.09	7.00	-56.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020255186	1	46	0.0	-62.64	354.67	6.84	-55.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020255186	1	46	0.0	-63.53	353.15	7.01	-56.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020255186	1	46	0.0	-62.60	354.73	6.85	-55.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020255187	0	43	0.0	-63.47	331.66	6.24	-57.23
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020255187	1	43	0.0	-61.70	326.05	6.22	-55.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020255187	1	43	0.0	-63.46	331.60	6.22	-57.24
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020255187	1	43	0.0	-61.64	326.00	6.19	-55.45
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020255188	0	50	0.0	-69.97	380.91	9.04	-60.93
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020255188	1	50	0.0	-71.37	379.44	9.10	-62.27
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020255188	1	50	0.0	-70.00	380.86	9.05	-60.95
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020255188	1	50	0.0	-71.36	379.41	9.12	-62.24
CC1CCC(C)[NH+]1CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255208	0	60	0.0	-64.93	433.90	6.69	-58.24
CC1CCC(C)[NH+]1CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255208	1	60	0.0	-64.90	433.96	6.70	-58.20
CC1CCC(C)[NH+]1CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255209	0	57	0.0	-67.42	413.63	6.09	-61.33
CC1CCC(C)[NH+]1CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255209	1	57	0.0	-67.41	413.69	6.12	-61.29
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020255250	0	52	0.0	-66.89	381.91	8.37	-58.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020255250	1	52	0.0	-66.87	381.96	8.38	-58.49
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020255251	0	49	0.0	-67.79	361.50	7.61	-60.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020255251	1	49	0.0	-67.81	361.55	7.63	-60.18
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020255252	0	56	0.0	-72.31	413.86	10.46	-61.85
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020255252	1	56	0.0	-72.27	413.89	10.47	-61.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020255261	1	50	0.0	-70.87	380.10	5.97	-64.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020255262	1	47	0.0	-71.52	356.00	5.16	-66.36
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020255263	1	54	0.0	-75.73	411.64	8.05	-67.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020255274	0	52	0.0	-63.41	388.99	8.26	-55.15
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020255274	1	52	0.0	-63.43	389.05	8.27	-55.16
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020255275	0	49	0.0	-64.28	368.59	7.50	-56.78
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020255275	1	49	0.0	-64.28	368.65	7.52	-56.76
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020255276	0	56	0.0	-68.45	420.60	10.35	-58.10
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020255276	1	56	0.0	-68.48	420.64	10.35	-58.13
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020255360	1	53	0.0	-68.97	403.06	6.69	-62.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020255361	1	50	0.0	-68.07	373.91	6.13	-61.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020255418	0	49	0.0	-63.49	366.75	7.45	-56.04
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020255418	1	49	0.0	-63.50	366.80	7.46	-56.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020255419	0	46	0.0	-60.82	346.25	6.68	-54.14
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020255419	1	46	0.0	-60.84	346.30	6.70	-54.14
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020255420	0	53	0.0	-68.45	398.75	9.53	-58.92
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020255420	1	53	0.0	-68.45	398.79	9.52	-58.93
CC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255424	0	52	0.0	-69.26	399.06	9.55	-59.71
CC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255425	0	49	0.0	-68.05	378.65	8.80	-59.25
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC2=CC=CC=C2)CC1	REAL300020255432	1	53	0.0	-71.94	412.81	8.68	-63.26
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC2=CC=CC=C2)CC1	REAL300020255433	1	50	0.0	-71.58	392.40	7.93	-63.65
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255439	0	55	0.0	-66.95	416.54	10.14	-56.81
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255440	0	52	0.0	-62.01	392.24	9.25	-52.76
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255440	1	52	0.0	-62.03	392.30	9.28	-52.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020255447	0	52	0.0	-73.39	397.51	8.75	-64.64
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020255447	1	52	0.0	-68.11	401.74	9.16	-58.95
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020255447	1	52	0.0	-73.39	397.56	8.76	-64.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020255447	1	52	0.0	-68.13	401.80	9.18	-58.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020255448	0	49	0.0	-70.05	376.00	7.95	-62.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020255448	1	49	0.0	-65.47	381.25	8.41	-57.06
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020255448	1	49	0.0	-70.08	376.06	7.98	-62.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020255448	1	49	0.0	-65.49	381.31	8.43	-57.06
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255469	0	51	0.0	-66.96	375.90	7.58	-59.38
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255469	1	51	0.0	-67.00	375.96	7.60	-59.40
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255470	0	48	0.0	-65.03	355.41	6.83	-58.20
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255470	1	48	0.0	-65.02	355.47	6.85	-58.17
CC[NH+](CC)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255471	0	55	0.0	-71.00	407.98	9.66	-61.34
CC[NH+](CC)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255471	1	55	0.0	-70.94	408.01	9.65	-61.29
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020255492	0	53	0.0	-65.09	383.78	8.94	-56.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020255492	1	53	0.0	-65.10	383.72	8.93	-56.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020255493	0	50	0.0	-62.13	362.22	8.13	-54.00
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020255493	1	50	0.0	-62.15	362.28	8.16	-53.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020255545	0	57	0.0	-74.34	435.64	7.79	-66.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020255545	1	57	0.0	-74.39	435.58	7.81	-66.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020255545	1	57	0.0	-74.33	435.70	7.82	-66.51
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020255545	1	57	0.0	-74.38	435.64	7.83	-66.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020255547	0	55	0.0	-62.68	418.55	9.74	-52.94
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020255547	1	55	0.0	-63.05	416.79	9.95	-53.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020255548	0	52	0.0	-61.26	395.90	8.92	-52.34
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020255548	1	52	0.0	-61.86	389.53	9.12	-52.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020255548	1	52	0.0	-61.28	395.96	8.95	-52.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020255548	1	52	0.0	-61.83	389.58	9.15	-52.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020255549	0	52	0.0	-60.93	381.80	8.35	-52.58
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020255549	1	52	0.0	-60.95	381.86	8.36	-52.59
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020255550	0	49	0.0	-61.04	367.45	7.54	-53.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020255550	1	49	0.0	-61.07	367.51	7.57	-53.50
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020255551	0	56	0.0	-66.25	413.72	10.46	-55.79
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020255551	1	56	0.0	-66.25	413.76	10.45	-55.80
CC(C)[N@@H+]1CCOC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C1	REAL300020255560	1	58	0.0	-70.11	422.95	5.03	-65.08
CC(C)[N@H+]1CCOC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C1	REAL300020255560	1	58	0.0	-68.80	428.22	4.74	-64.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020255568	1	46	0.0	-68.84	373.72	8.05	-60.79
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020255569	1	43	0.0	-65.04	358.14	7.25	-57.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1	REAL300020255579	0	52	0.0	-70.35	403.41	10.29	-60.06
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1	REAL300020255579	1	52	0.0	-70.36	403.47	10.31	-60.05
COC1=CC=C(C)C=C1C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255584	1	56	0.0	-64.85	439.30	8.95	-55.90
COC1=CC=C(C)C=C1C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255585	1	53	0.0	-63.47	417.80	8.17	-55.30
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H](C)O1	REAL300020255598	1	52	0.0	-65.85	389.55	6.43	-59.42
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H](C)O1	REAL300020255598	1	52	0.0	-66.07	397.49	6.48	-59.59
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H](C)O1	REAL300020255599	1	49	0.0	-63.85	366.95	5.61	-58.24
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H](C)O1	REAL300020255599	1	49	0.0	-63.66	374.88	5.67	-57.99
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H](C)O1	REAL300020255600	1	56	0.0	-71.58	427.34	8.24	-63.34
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H](C)O1	REAL300020255600	1	56	0.0	-70.28	432.71	8.49	-61.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020255706	0	50	0.0	-72.95	379.20	6.08	-66.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020255706	1	50	0.0	-72.95	379.26	6.10	-66.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020255707	0	47	0.0	-70.20	357.70	5.29	-64.91
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020255707	1	47	0.0	-70.18	357.76	5.31	-64.87
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020255708	0	54	0.0	-79.38	411.13	8.22	-71.16
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020255708	1	54	0.0	-79.38	411.19	8.19	-71.19
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020255724	0	55	0.0	-65.53	420.16	10.00	-55.53
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020255724	1	55	0.0	-67.44	419.05	10.02	-57.42
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020255725	0	52	0.0	-65.54	400.91	9.18	-56.36
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020255725	1	52	0.0	-66.70	397.50	9.22	-57.48
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020255725	1	52	0.0	-65.55	400.96	9.21	-56.34
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020255725	1	52	0.0	-66.71	397.56	9.24	-57.47
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255771	0	57	0.0	-68.88	439.29	8.07	-60.81
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255772	0	54	0.0	-68.64	417.68	7.28	-61.36
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255772	1	54	0.0	-68.65	417.73	7.31	-61.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020255860	1	46	0.0	-69.98	372.81	7.84	-62.14
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020255861	1	43	0.0	-69.44	352.88	7.16	-62.28
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020255896	0	49	0.0	-61.06	367.41	7.65	-53.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020255896	1	49	0.0	-61.10	367.47	7.67	-53.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020255897	0	46	0.0	-60.36	346.91	6.89	-53.47
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020255897	1	46	0.0	-60.35	346.97	6.92	-53.43
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020255898	0	53	0.0	-66.28	399.62	9.75	-56.53
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020255898	1	53	0.0	-66.24	399.65	9.74	-56.50
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CCOC	REAL300020255911	0	55	0.0	-65.65	412.69	7.00	-58.65
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CCOC	REAL300020255911	1	55	0.0	-62.56	409.03	7.09	-55.47
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CCOC	REAL300020255912	0	52	0.0	-64.80	395.24	6.22	-58.58
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CCOC	REAL300020255912	1	52	0.0	-62.88	386.50	6.43	-56.45
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020255913	0	58	0.0	-65.93	446.33	10.58	-55.35
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020255913	1	58	0.0	-66.38	444.74	10.75	-55.63
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020255914	0	55	0.0	-61.13	407.30	9.55	-51.58
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020255914	1	55	0.0	-65.45	412.83	10.15	-55.30
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020255914	1	55	0.0	-61.12	407.35	9.58	-51.54
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020255914	1	55	0.0	-65.44	412.89	10.18	-55.26
CC1=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=NC(C(C)C)=[NH+]1	REAL300020256027	0	56	0.0	-59.55	440.58	7.83	-51.72
CC1=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=NC(C(C)C)=[NH+]1	REAL300020256028	0	53	0.0	-63.45	413.21	7.06	-56.39
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020256047	0	52	0.0	-71.88	405.36	9.74	-62.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020256047	1	52	0.0	-71.87	405.42	9.75	-62.12
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020256048	0	49	0.0	-72.08	384.96	8.99	-63.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020256048	1	49	0.0	-72.11	385.02	9.01	-63.10
CCOC1=CC=C(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256051	1	56	0.0	-73.03	434.28	9.12	-63.91
CCOC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256052	1	53	0.0	-70.59	412.78	8.34	-62.25
COCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256056	1	46	0.0	-67.07	356.60	5.16	-61.91
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256057	1	43	0.0	-67.06	336.20	4.43	-62.63
COCC[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256058	1	50	0.0	-70.65	394.69	7.03	-63.62
CC(C)OCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256070	1	52	0.0	-67.19	398.73	6.88	-60.31
CC(C)OCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256071	1	49	0.0	-67.02	378.32	6.13	-60.89
CC(C)OCC[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256072	1	56	0.0	-70.78	436.81	8.75	-62.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020256082	0	50	0.0	-68.96	373.61	5.92	-63.04
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020256082	1	50	0.0	-68.96	373.67	5.94	-63.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020256083	0	47	0.0	-68.78	353.21	5.17	-63.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020256083	1	47	0.0	-68.79	353.27	5.20	-63.59
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020256084	0	54	0.0	-72.56	411.99	7.84	-64.72
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020256084	1	54	0.0	-72.54	412.05	7.83	-64.71
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020256096	0	53	0.0	-72.73	395.38	6.94	-65.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020256097	0	50	0.0	-74.51	374.91	6.16	-68.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020256097	1	50	0.0	-74.52	374.97	6.19	-68.33
CCCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256098	0	57	0.0	-71.55	423.13	9.65	-61.90
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256098	1	57	0.0	-71.29	423.14	9.65	-61.64
CCCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256098	1	57	0.0	-71.57	423.19	9.67	-61.90
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256098	1	57	0.0	-71.28	423.20	9.67	-61.61
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256099	0	54	0.0	-70.65	401.63	8.86	-61.79
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256099	1	54	0.0	-73.29	402.74	8.90	-64.39
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256099	1	54	0.0	-70.69	401.69	8.88	-61.81
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256099	1	54	0.0	-73.29	402.80	8.92	-64.37
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020256100	0	58	0.0	-70.64	414.06	9.54	-61.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020256100	1	58	0.0	-70.65	414.12	9.55	-61.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020256101	0	55	0.0	-68.94	398.40	8.64	-60.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020256101	1	55	0.0	-68.93	398.46	8.67	-60.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020256107	0	49	0.0	-71.20	395.65	8.84	-62.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020256108	0	46	0.0	-67.79	374.10	8.03	-59.76
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020256108	1	46	0.0	-67.83	374.15	8.06	-59.77
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020256188	0	48	0.0	-60.59	360.39	6.51	-54.08
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020256188	1	48	0.0	-60.61	360.45	6.52	-54.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020256189	0	45	0.0	-59.34	331.49	5.91	-53.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020256189	1	45	0.0	-59.36	331.55	5.93	-53.43
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020256190	0	52	0.0	-66.14	391.43	8.61	-57.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020256190	1	52	0.0	-66.16	391.37	8.62	-57.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020256248	0	50	0.0	-69.55	390.96	9.24	-60.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020256248	1	50	0.0	-69.57	391.01	9.27	-60.30
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1C	REAL300020256249	0	45	0.0	-64.72	341.85	6.48	-58.24
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1C	REAL300020256249	1	45	0.0	-63.11	342.80	6.62	-56.49
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1C	REAL300020256250	0	49	0.0	-70.60	372.66	8.57	-62.03
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1C	REAL300020256250	1	49	0.0	-67.62	378.98	8.33	-59.29
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256303	0	55	0.0	-64.02	429.55	10.10	-53.92
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256303	1	55	0.0	-67.22	432.10	9.98	-57.24
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256303	1	55	0.0	-63.99	429.61	10.12	-53.87
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256303	1	55	0.0	-67.19	432.16	9.99	-57.20
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256304	0	52	0.0	-61.01	408.28	9.33	-51.68
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256304	1	52	0.0	-61.35	405.89	9.47	-51.88
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256304	1	52	0.0	-61.03	408.34	9.35	-51.68
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256304	1	52	0.0	-61.34	405.94	9.49	-51.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020256384	0	52	0.0	-65.93	382.38	8.35	-57.58
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020256384	1	52	0.0	-65.93	382.32	8.33	-57.60
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020256385	0	49	0.0	-62.39	356.88	7.29	-55.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020256385	1	49	0.0	-62.37	356.93	7.31	-55.06
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020256386	0	56	0.0	-69.50	420.70	10.25	-59.25
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020256386	1	56	0.0	-69.45	420.77	10.24	-59.21
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020256391	0	49	0.0	-65.76	367.70	7.85	-57.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020256391	1	49	0.0	-65.74	367.64	7.84	-57.90
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020256392	0	46	0.0	-62.53	346.15	7.04	-55.49
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020256392	1	46	0.0	-62.57	346.20	7.07	-55.50
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020256393	0	53	0.0	-72.19	399.64	9.95	-62.24
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020256393	1	53	0.0	-72.20	399.58	9.98	-62.22
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020256394	0	55	0.0	-69.12	404.52	9.30	-59.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020256394	1	55	0.0	-69.13	404.58	9.31	-59.82
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020256395	0	52	0.0	-69.17	384.10	8.54	-60.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020256395	1	52	0.0	-69.17	384.16	8.57	-60.60
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256396	0	45	0.0	-64.67	340.76	6.49	-58.18
CC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256397	0	49	0.0	-70.86	372.69	8.59	-62.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020256413	0	60	0.0	-60.70	404.24	8.96	-51.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020256413	1	60	0.0	-60.72	404.30	8.98	-51.74
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020256414	0	57	0.0	-60.12	383.83	8.20	-51.92
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020256414	1	57	0.0	-60.21	383.89	8.23	-51.98
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256417	0	48	0.0	-64.95	358.96	7.09	-57.86
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256417	1	48	0.0	-64.91	359.02	7.11	-57.80
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256418	0	45	0.0	-61.77	337.46	6.30	-55.47
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256418	1	45	0.0	-61.76	337.52	6.32	-55.44
CCC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256419	0	52	0.0	-67.67	393.04	8.96	-58.71
CCC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256419	1	52	0.0	-67.68	393.09	8.95	-58.73
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020256423	0	56	0.0	-72.80	417.03	7.53	-65.27
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020256424	0	53	0.0	-75.10	396.61	6.78	-68.32
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020256425	0	55	0.0	-69.61	414.27	9.83	-59.78
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020256425	1	55	0.0	-67.77	419.13	10.20	-57.57
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020256425	1	55	0.0	-69.57	414.21	9.81	-59.76
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020256425	1	55	0.0	-67.77	419.08	10.19	-57.58
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020256426	0	52	0.0	-67.26	401.08	9.33	-57.93
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020256426	1	52	0.0	-67.36	398.06	9.14	-58.22
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020256426	1	52	0.0	-67.31	401.13	9.35	-57.96
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020256426	1	52	0.0	-67.34	398.12	9.16	-58.18
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@@H+](C2CCC2)C1	REAL300020256441	0	52	0.0	-66.36	381.59	8.18	-58.18
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+](C2CCC2)C1	REAL300020256441	1	52	0.0	-65.35	384.33	8.80	-56.55
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+](C2CCC2)C1	REAL300020256441	1	52	0.0	-66.37	381.65	8.20	-58.17
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+](C2CCC2)C1	REAL300020256441	1	52	0.0	-65.26	384.39	8.81	-56.45
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+](C2CCC2)C1	REAL300020256442	0	49	0.0	-65.97	363.60	8.01	-57.96
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+](C2CCC2)C1	REAL300020256442	1	49	0.0	-60.12	369.21	7.81	-52.31
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+](C2CCC2)C1	REAL300020256442	1	49	0.0	-65.99	363.66	8.03	-57.96
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+](C2CCC2)C1	REAL300020256442	1	49	0.0	-60.14	369.26	7.84	-52.30
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC[N@@H+](C2CCC2)C1	REAL300020256443	0	56	0.0	-67.45	420.75	10.67	-56.78
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC[N@H+](C2CCC2)C1	REAL300020256443	1	56	0.0	-68.97	421.32	10.78	-58.19
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[N@@H+](C2CCC2)C1	REAL300020256443	1	56	0.0	-67.41	420.80	10.68	-56.73
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[N@H+](C2CCC2)C1	REAL300020256443	1	56	0.0	-68.91	421.36	10.78	-58.13
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020256450	1	49	0.0	-69.99	382.91	8.89	-61.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020256451	1	46	0.0	-67.38	361.47	8.11	-59.27
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256455	0	48	0.0	-63.31	351.98	7.35	-55.96
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256455	1	48	0.0	-61.27	349.73	6.81	-54.46
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256455	1	48	0.0	-63.31	352.04	7.37	-55.94
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256455	1	48	0.0	-61.28	349.79	6.83	-54.45
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256456	0	45	0.0	-60.23	337.61	6.17	-54.06
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256456	1	45	0.0	-59.71	333.27	5.86	-53.85
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256456	1	45	0.0	-60.24	337.67	6.20	-54.04
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256456	1	45	0.0	-59.74	333.33	5.89	-53.85
CC(C)[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256457	0	52	0.0	-67.07	391.07	9.10	-57.97
CC(C)[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256457	1	52	0.0	-67.60	384.87	8.81	-58.79
CC(C)[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256457	1	52	0.0	-67.06	391.12	9.08	-57.98
CC(C)[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256457	1	52	0.0	-67.62	384.90	8.81	-58.81
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020256458	0	51	0.0	-63.15	373.06	7.62	-55.53
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020256458	1	51	0.0	-59.57	368.24	6.90	-52.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020256458	1	51	0.0	-63.15	373.12	7.64	-55.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020256458	1	51	0.0	-59.62	368.29	6.92	-52.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020256459	0	48	0.0	-64.08	350.10	6.84	-57.24
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020256459	1	48	0.0	-57.09	347.37	6.05	-51.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020256459	1	48	0.0	-64.07	350.16	6.87	-57.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020256459	1	48	0.0	-57.11	347.43	6.08	-51.03
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020256460	0	55	0.0	-69.25	403.50	9.74	-59.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020256460	1	55	0.0	-64.39	400.79	8.93	-55.46
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020256460	1	55	0.0	-69.23	403.51	9.73	-59.50
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020256460	1	55	0.0	-64.35	400.84	8.92	-55.43
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020256461	0	53	0.0	-66.26	391.67	6.44	-59.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020256461	1	53	0.0	-68.54	384.11	5.85	-62.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020256461	1	53	0.0	-66.27	391.73	6.45	-59.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020256461	1	53	0.0	-68.52	384.17	5.87	-62.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020256462	0	50	0.0	-65.03	364.07	6.01	-59.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020256462	1	50	0.0	-67.91	370.17	5.50	-62.41
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020256462	1	50	0.0	-65.05	364.13	6.03	-59.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020256462	1	50	0.0	-67.92	370.22	5.52	-62.40
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020256551	0	51	0.0	-70.98	406.07	7.36	-63.62
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020256551	1	51	0.0	-70.97	406.12	7.38	-63.59
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020256552	0	48	0.0	-66.59	384.77	6.61	-59.98
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020256552	1	48	0.0	-66.58	384.83	6.63	-59.95
COCC(COC)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256574	1	53	0.0	-66.33	402.04	6.10	-60.23
COCC(COC)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256575	1	50	0.0	-65.62	381.64	5.37	-60.25
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020256576	0	52	0.0	-65.96	400.73	9.53	-56.43
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020256576	1	52	0.0	-67.47	394.97	9.53	-57.94
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020256577	0	49	0.0	-64.23	380.93	8.56	-55.67
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020256577	1	49	0.0	-66.08	379.31	8.63	-57.45
COCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256645	0	52	0.0	-64.27	384.64	5.91	-58.36
COCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256646	0	49	0.0	-64.47	364.25	5.17	-59.30
COCC(C)(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256647	0	56	0.0	-70.91	416.58	8.00	-62.91
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020256653	0	53	0.0	-66.77	410.49	9.57	-57.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020256653	1	53	0.0	-63.04	410.56	9.21	-53.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020256654	0	50	0.0	-66.13	385.77	8.80	-57.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020256654	1	50	0.0	-63.64	381.12	8.40	-55.24
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020256714	0	52	0.0	-59.72	390.87	6.02	-53.70
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020256714	1	52	0.0	-61.66	387.44	5.53	-56.13
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020256715	0	49	0.0	-58.60	361.84	5.35	-53.25
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020256715	1	49	0.0	-61.11	365.24	4.72	-56.39
COCC[N@H+]1[C@H](C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H]1C	REAL300020256716	0	56	0.0	-68.37	415.43	8.23	-60.14
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H]1C	REAL300020256716	1	56	0.0	-66.43	419.43	7.56	-58.87
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256753	0	51	0.0	-62.94	367.22	7.17	-55.77
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256753	1	51	0.0	-62.96	367.28	7.18	-55.78
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256754	0	48	0.0	-63.17	346.81	6.41	-56.76
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256754	1	48	0.0	-63.19	346.87	6.43	-56.76
CCC(C)(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256755	0	55	0.0	-69.43	399.17	9.28	-60.15
CCC(C)(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256755	1	55	0.0	-69.40	399.20	9.27	-60.13
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256773	0	48	0.0	-63.22	370.50	7.16	-56.06
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256773	1	48	0.0	-63.17	370.44	7.15	-56.02
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256774	0	45	0.0	-62.12	342.09	6.59	-55.53
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256774	1	45	0.0	-62.11	342.15	6.62	-55.49
CN(CC[NH+]1CCCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256775	0	52	0.0	-68.72	394.55	9.47	-59.25
CN(CC[NH+]1CCCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256775	1	52	0.0	-68.70	394.59	9.46	-59.24
COCCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256778	1	53	0.0	-68.39	412.08	5.39	-63.00
COCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256779	1	50	0.0	-68.07	391.69	4.65	-63.42
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020256788	1	49	0.0	-69.99	382.91	8.89	-61.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020256789	1	46	0.0	-67.38	361.47	8.11	-59.27
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300020256795	0	58	0.0	-62.74	425.69	8.66	-54.08
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300020256795	1	58	0.0	-63.20	424.31	9.01	-54.19
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300020256796	0	55	0.0	-65.34	405.19	7.86	-57.48
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300020256796	1	55	0.0	-61.26	392.55	8.07	-53.19
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300020256796	1	55	0.0	-65.37	405.25	7.89	-57.48
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300020256796	1	55	0.0	-61.27	392.61	8.10	-53.17
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020256886	1	47	0.0	-69.50	357.27	5.30	-64.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020256887	1	44	0.0	-66.45	335.78	4.52	-61.93
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020256888	1	51	0.0	-75.99	389.18	7.39	-68.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020256896	0	55	0.0	-70.90	424.89	10.20	-60.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020256896	1	55	0.0	-69.65	424.89	10.22	-59.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020256896	1	55	0.0	-70.90	424.95	10.22	-60.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020256896	1	55	0.0	-69.62	424.94	10.23	-59.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020256897	0	52	0.0	-69.94	402.93	9.28	-60.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020256897	1	52	0.0	-66.85	408.33	9.20	-57.65
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020256897	1	52	0.0	-69.99	402.99	9.30	-60.69
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020256897	1	52	0.0	-66.88	408.39	9.22	-57.66
CC[N@@H+]1CCCC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C1C1=CN(C)N=C1	REAL300020256937	0	58	0.0	-66.66	436.25	8.45	-58.21
CC[N@H+]1CCCC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C1C1=CN(C)N=C1	REAL300020256937	1	58	0.0	-66.64	431.42	8.21	-58.43
CC[N@@H+]1CCCC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C1C1=CN(C)N=C1	REAL300020256937	1	58	0.0	-66.65	436.19	8.43	-58.22
CC[N@H+]1CCCC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C1C1=CN(C)N=C1	REAL300020256937	1	58	0.0	-66.63	431.36	8.19	-58.44
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020257019	0	58	0.0	-61.73	430.56	10.14	-51.59
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020257019	1	58	0.0	-61.42	430.83	9.87	-51.55
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020257019	1	58	0.0	-61.74	430.62	10.15	-51.59
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020257019	1	58	0.0	-61.43	430.89	9.88	-51.55
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020257020	0	55	0.0	-60.43	402.98	9.28	-51.15
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020257020	1	55	0.0	-59.76	410.40	9.11	-50.65
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020257020	1	55	0.0	-60.37	403.03	9.31	-51.06
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020257020	1	55	0.0	-59.77	410.45	9.13	-50.64
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020257242	0	52	0.0	-66.27	406.27	6.75	-59.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020257242	1	52	0.0	-66.25	406.32	6.76	-59.49
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020257243	0	49	0.0	-68.90	383.72	5.92	-62.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020257243	1	49	0.0	-68.96	383.78	5.95	-63.01
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020257244	0	56	0.0	-69.62	437.73	8.62	-61.00
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020257244	1	56	0.0	-69.59	437.77	8.61	-60.98
CCC1([NH+]2CCOCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257317	0	56	0.0	-66.99	394.63	6.15	-60.84
CCC1([NH+]2CCOCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257318	0	53	0.0	-69.35	366.95	5.23	-64.12
CCC1([NH+]2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257318	1	53	0.0	-69.37	367.01	5.25	-64.12
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257327	0	51	0.0	-67.43	361.03	6.68	-60.75
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257327	1	51	0.0	-67.41	361.09	6.70	-60.71
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257328	0	48	0.0	-66.83	339.50	5.89	-60.94
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257328	1	48	0.0	-66.85	339.56	5.91	-60.94
CCC1([NH+](C)C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257329	0	55	0.0	-72.28	391.59	8.78	-63.50
CCC1([NH+](C)C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257329	1	55	0.0	-72.32	391.64	8.78	-63.54
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020257343	0	52	0.0	-63.92	379.82	7.41	-56.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020257343	1	52	0.0	-63.94	379.88	7.42	-56.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020257344	0	49	0.0	-66.39	351.61	6.87	-59.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020257344	1	49	0.0	-66.39	351.67	6.89	-59.50
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020257345	0	56	0.0	-69.61	406.11	9.65	-59.96
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020257345	1	56	0.0	-69.60	406.15	9.64	-59.96
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257355	0	55	0.0	-65.46	382.91	7.93	-57.53
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257355	1	55	0.0	-65.51	382.97	7.95	-57.56
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257356	0	52	0.0	-65.84	361.31	7.15	-58.69
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257356	1	52	0.0	-65.83	361.37	7.17	-58.66
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257368	0	55	0.0	-64.43	415.19	6.42	-58.01
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257368	1	55	0.0	-64.43	415.25	6.44	-57.99
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257369	0	52	0.0	-67.91	394.70	5.54	-62.37
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257369	1	52	0.0	-67.92	394.76	5.56	-62.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020257375	0	53	0.0	-66.54	386.28	5.69	-60.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020257376	0	50	0.0	-68.62	358.02	5.13	-63.49
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020257376	1	50	0.0	-68.62	358.08	5.16	-63.46
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020257419	0	49	0.0	-80.06	387.44	8.44	-71.62
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020257419	1	49	0.0	-80.00	387.38	8.42	-71.58
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020257420	0	46	0.0	-80.64	365.92	7.65	-72.99
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020257420	1	46	0.0	-80.62	365.86	7.63	-72.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020257493	0	46	0.0	-70.32	341.44	6.12	-64.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020257493	1	46	0.0	-66.52	352.33	6.45	-60.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020257493	1	46	0.0	-70.34	341.49	6.13	-64.21
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020257493	1	46	0.0	-66.53	352.38	6.46	-60.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020257494	0	43	0.0	-70.24	319.95	5.33	-64.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020257494	1	43	0.0	-66.01	330.34	5.85	-60.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020257494	1	43	0.0	-70.24	320.01	5.35	-64.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020257494	1	43	0.0	-66.04	330.39	5.87	-60.17
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020257495	0	50	0.0	-75.47	373.61	8.25	-67.22
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020257495	1	50	0.0	-70.15	388.72	8.70	-61.45
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020257495	1	50	0.0	-75.47	373.75	8.22	-67.25
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020257495	1	50	0.0	-70.09	388.77	8.68	-61.41
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020257506	0	54	0.0	-67.89	398.46	5.80	-62.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020257506	1	54	0.0	-67.94	398.52	5.81	-62.13
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020257507	0	51	0.0	-66.96	383.06	4.97	-61.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020257507	1	51	0.0	-66.93	383.12	4.98	-61.95
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@@H+]1C	REAL300020257515	0	48	0.0	-66.90	355.25	6.94	-59.96
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+]1C	REAL300020257515	1	48	0.0	-64.66	357.84	6.70	-57.96
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1C	REAL300020257515	1	48	0.0	-66.92	355.31	6.96	-59.96
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1C	REAL300020257515	1	48	0.0	-64.69	357.90	6.71	-57.98
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+]1C	REAL300020257516	0	45	0.0	-67.76	334.76	6.18	-61.58
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+]1C	REAL300020257516	1	45	0.0	-63.83	335.96	5.65	-58.18
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1C	REAL300020257516	1	45	0.0	-67.77	334.82	6.21	-61.56
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1C	REAL300020257516	1	45	0.0	-63.81	336.02	5.67	-58.14
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[N@@H+]1C	REAL300020257517	0	52	0.0	-70.63	392.06	9.05	-61.58
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[N@H+]1C	REAL300020257517	1	52	0.0	-71.38	384.51	8.72	-62.66
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC[N@@H+]1C	REAL300020257517	1	52	0.0	-70.66	392.02	9.05	-61.61
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC[N@H+]1C	REAL300020257517	1	52	0.0	-71.41	384.47	8.73	-62.68
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257559	0	58	0.0	-62.59	438.68	10.99	-51.60
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257559	1	58	0.0	-63.01	429.46	11.88	-51.13
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257559	1	58	0.0	-62.61	438.74	11.01	-51.60
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257559	1	58	0.0	-62.99	429.52	11.89	-51.10
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257560	0	55	0.0	-62.63	416.75	10.36	-52.27
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257560	1	55	0.0	-61.27	407.97	11.09	-50.18
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257560	1	55	0.0	-62.64	416.80	10.38	-52.26
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257560	1	55	0.0	-61.27	408.02	11.12	-50.15
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257561	0	57	0.0	-62.32	415.86	8.26	-54.06
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257561	1	57	0.0	-62.32	415.92	8.27	-54.05
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257562	0	54	0.0	-65.98	396.22	7.31	-58.67
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257562	1	54	0.0	-65.95	396.28	7.34	-58.61
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020257563	1	50	0.0	-73.61	394.39	6.11	-67.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020257564	1	47	0.0	-69.71	372.90	5.32	-64.39
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020257572	1	45	0.0	-59.52	351.86	4.67	-54.85
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020257573	1	42	0.0	-57.67	330.36	3.91	-53.76
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020257574	1	49	0.0	-66.78	381.06	7.51	-59.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020257614	0	58	0.0	-69.97	435.34	7.90	-62.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020257615	0	55	0.0	-69.71	414.89	7.14	-62.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020257615	1	55	0.0	-69.74	414.94	7.16	-62.58
CCC1=CC=C(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020257618	1	55	0.0	-69.97	425.82	10.34	-59.63
CCC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020257619	1	52	0.0	-67.25	404.37	9.55	-57.70
CC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257628	0	52	0.0	-66.93	397.84	9.53	-57.40
CC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257629	0	49	0.0	-65.89	369.25	8.47	-57.42
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	REAL300020257630	0	56	0.0	-72.71	407.24	4.82	-67.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	REAL300020257631	0	53	0.0	-71.13	384.73	4.01	-67.12
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257635	0	58	0.0	-65.98	397.29	8.40	-57.58
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257635	1	58	0.0	-65.99	397.35	8.42	-57.57
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257636	0	55	0.0	-64.67	374.70	7.58	-57.09
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257636	1	55	0.0	-64.67	374.76	7.61	-57.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020257639	0	45	0.0	-67.82	330.20	5.88	-61.94
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020257639	1	45	0.0	-62.58	341.72	6.23	-56.35
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020257640	0	49	0.0	-71.52	366.47	8.52	-63.00
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020257640	1	49	0.0	-71.57	366.25	8.49	-63.08
C[C@@H]1C[N@@H+](CCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C[C@H](C)O1	REAL300020257641	0	59	0.0	-75.44	432.67	8.29	-67.15
C[C@@H]1C[N@H+](CCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C[C@H](C)O1	REAL300020257641	1	59	0.0	-72.76	445.57	8.00	-64.76
C[C@@H]1C[N@@H+](CCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C[C@H](C)O1	REAL300020257641	1	59	0.0	-75.45	432.72	8.31	-67.14
C[C@@H]1C[N@H+](CCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C[C@H](C)O1	REAL300020257641	1	59	0.0	-72.75	445.63	8.02	-64.73
C[C@@H]1C[N@@H+](CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C[C@H](C)O1	REAL300020257647	0	59	0.0	-72.82	431.48	8.43	-64.39
C[C@@H]1C[N@H+](CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C[C@H](C)O1	REAL300020257647	1	59	0.0	-73.03	437.72	8.42	-64.61
C[C@@H]1C[N@@H+](CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C[C@H](C)O1	REAL300020257647	1	59	0.0	-72.81	431.54	8.45	-64.36
C[C@@H]1C[N@H+](CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C[C@H](C)O1	REAL300020257647	1	59	0.0	-73.01	437.77	8.44	-64.57
C[C@@H]1C[N@@H+](CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C[C@H](C)O1	REAL300020257648	0	56	0.0	-71.79	409.99	7.64	-64.15
C[C@@H]1C[N@H+](CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C[C@H](C)O1	REAL300020257648	1	56	0.0	-71.69	416.22	7.63	-64.06
C[C@@H]1C[N@@H+](CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C[C@H](C)O1	REAL300020257648	1	56	0.0	-71.82	410.05	7.66	-64.16
C[C@@H]1C[N@H+](CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C[C@H](C)O1	REAL300020257648	1	56	0.0	-71.70	416.27	7.65	-64.05
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257653	0	58	0.0	-57.20	427.55	10.86	-46.34
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257653	1	58	0.0	-61.82	436.90	12.56	-49.26
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257653	1	58	0.0	-57.21	427.61	10.88	-46.33
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257653	1	58	0.0	-61.81	436.96	12.57	-49.24
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257654	0	55	0.0	-57.74	410.49	9.74	-48.00
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257654	1	55	0.0	-59.61	412.65	11.83	-47.78
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257654	1	55	0.0	-57.73	410.55	9.76	-47.97
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257654	1	55	0.0	-59.62	412.71	11.86	-47.76
CCC(C1=CC=C(F)C=C1)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257684	1	55	0.0	-72.36	422.94	10.20	-62.16
CCC(C1=CC=C(F)C=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257685	1	52	0.0	-67.33	399.82	9.35	-57.98
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020257724	0	55	0.0	-64.18	394.90	8.30	-55.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020257724	1	55	0.0	-64.19	394.96	8.31	-55.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020257725	0	52	0.0	-63.32	373.39	7.51	-55.81
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020257725	1	52	0.0	-63.36	373.45	7.54	-55.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257728	0	56	0.0	-70.33	433.54	10.49	-59.84
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257728	1	56	0.0	-65.39	433.64	9.97	-55.42
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257728	1	56	0.0	-70.35	433.60	10.51	-59.84
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257728	1	56	0.0	-65.39	433.70	9.98	-55.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257729	0	53	0.0	-65.05	408.53	9.17	-55.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257729	1	53	0.0	-64.65	413.44	9.12	-55.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257729	1	53	0.0	-65.01	408.59	9.20	-55.81
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257729	1	53	0.0	-64.64	413.50	9.14	-55.50
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257829	0	52	0.0	-66.59	366.53	7.16	-59.43
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257829	1	52	0.0	-66.57	366.58	7.18	-59.39
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257830	0	49	0.0	-66.06	350.69	7.05	-59.01
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257830	1	49	0.0	-66.06	350.75	7.07	-58.99
CCC1([NH+]2CCC2)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257831	0	56	0.0	-71.94	404.35	9.91	-62.03
CCC1([NH+]2CCC2)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257831	1	56	0.0	-71.89	404.39	9.90	-61.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257836	0	56	0.0	-68.05	421.03	10.29	-57.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257836	1	56	0.0	-61.06	421.86	10.21	-50.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257836	1	56	0.0	-68.11	421.09	10.30	-57.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257836	1	56	0.0	-61.02	421.92	10.22	-50.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257837	0	53	0.0	-69.13	401.94	9.60	-59.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257837	1	53	0.0	-64.20	397.41	9.33	-54.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257837	1	53	0.0	-69.16	401.99	9.62	-59.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257837	1	53	0.0	-64.23	397.46	9.35	-54.88
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020257924	0	46	0.0	-67.24	351.14	6.91	-60.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020257924	1	46	0.0	-67.11	349.83	6.31	-60.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020257924	1	46	0.0	-67.28	351.20	6.92	-60.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020257924	1	46	0.0	-67.06	349.89	6.32	-60.74
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020257925	0	43	0.0	-67.17	329.64	6.11	-61.06
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020257925	1	43	0.0	-63.84	328.33	5.52	-58.32
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020257925	1	43	0.0	-67.20	329.70	6.14	-61.06
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020257925	1	43	0.0	-63.85	328.38	5.55	-58.30
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020257926	0	50	0.0	-72.90	382.82	9.01	-63.89
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020257926	1	50	0.0	-72.36	383.70	8.44	-63.92
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020257926	1	50	0.0	-72.90	382.84	9.00	-63.90
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020257926	1	50	0.0	-72.33	383.75	8.44	-63.89
CC[N@@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020258140	0	48	0.0	-62.90	352.12	7.01	-55.89
CC[N@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020258140	1	48	0.0	-61.16	358.87	7.03	-54.13
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020258140	1	48	0.0	-62.91	352.18	7.02	-55.89
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020258140	1	48	0.0	-61.18	358.93	7.05	-54.13
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020258141	0	45	0.0	-63.65	331.73	6.26	-57.39
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020258141	1	45	0.0	-63.98	327.54	5.74	-58.24
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020258141	1	45	0.0	-63.70	331.79	6.29	-57.41
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020258141	1	45	0.0	-63.98	327.60	5.76	-58.22
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1(C)C	REAL300020258142	0	52	0.0	-65.59	391.28	8.86	-56.73
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1(C)C	REAL300020258142	1	52	0.0	-69.24	384.31	9.14	-60.10
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1(C)C	REAL300020258142	1	52	0.0	-65.56	391.24	8.88	-56.68
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1(C)C	REAL300020258142	1	52	0.0	-69.22	384.27	9.16	-60.06
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020258253	0	52	0.0	-65.37	401.35	9.33	-56.04
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020258253	1	52	0.0	-66.94	399.65	9.36	-57.58
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020258254	0	49	0.0	-69.26	369.40	8.22	-61.04
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020258254	1	49	0.0	-67.39	374.06	8.07	-59.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020258295	0	52	0.0	-67.40	384.22	7.86	-59.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020258295	1	52	0.0	-67.41	384.28	7.88	-59.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020258296	0	49	0.0	-69.96	357.50	7.36	-62.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020258296	1	49	0.0	-70.00	357.56	7.38	-62.62
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020258297	0	56	0.0	-71.25	415.69	9.94	-61.31
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020258297	1	56	0.0	-71.26	415.74	9.92	-61.34
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+](CC)CC1	REAL300020258317	0	56	0.0	-62.32	407.74	6.04	-56.28
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@@H+](CC)CC1	REAL300020258317	1	56	0.0	-60.70	389.30	5.93	-54.77
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+](CC)CC1	REAL300020258317	1	56	0.0	-62.32	407.79	6.05	-56.27
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+](CC)CC1	REAL300020258317	1	56	0.0	-60.69	389.36	5.94	-54.75
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+](CC)CC1	REAL300020258318	0	53	0.0	-59.44	386.23	5.24	-54.20
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+](CC)CC1	REAL300020258318	1	53	0.0	-61.66	374.20	5.06	-56.60
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+](CC)CC1	REAL300020258318	1	53	0.0	-59.48	386.29	5.27	-54.21
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+](CC)CC1	REAL300020258318	1	53	0.0	-61.67	374.25	5.08	-56.59
CN(CCC[NH+]1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258355	1	49	0.0	-68.37	375.47	5.73	-62.64
CN(CCC[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258356	1	46	0.0	-68.21	354.92	4.99	-63.22
CN(CCC[NH+]1CCOCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258357	1	53	0.0	-72.47	409.81	7.75	-64.72
COC(=O)[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C[C@H]1C[N@H+](C)CC2	REAL300020258365	0	52	0.0	-70.32	396.22	6.95	-63.37
COC(=O)[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C[C@H]1C[N@@H+](C)CC2	REAL300020258365	1	52	0.0	-79.13	400.76	7.12	-72.01
COC(=O)[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C[C@H]1C[N@H+](C)CC2	REAL300020258365	1	52	0.0	-70.31	396.28	6.96	-63.35
COC(=O)[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C[C@H]1C[N@@H+](C)CC2	REAL300020258365	1	52	0.0	-79.12	400.82	7.14	-71.98
COC(=O)[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3C)C[C@H]1C[N@H+](C)CC2	REAL300020258366	0	49	0.0	-77.76	372.11	6.02	-71.74
COC(=O)[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3C)C[C@H]1C[N@@H+](C)CC2	REAL300020258366	1	49	0.0	-78.75	379.25	6.34	-72.41
COC(=O)[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3C)C[C@H]1C[N@H+](C)CC2	REAL300020258366	1	49	0.0	-77.72	372.17	6.04	-71.68
COC(=O)[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3C)C[C@H]1C[N@@H+](C)CC2	REAL300020258366	1	49	0.0	-78.81	379.31	6.36	-72.45
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258381	1	47	0.0	-66.73	369.38	8.62	-58.11
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258382	1	44	0.0	-66.60	347.89	7.83	-58.77
CN1C=[NH+]C=C1C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020258383	1	51	0.0	-71.11	401.33	10.70	-60.41
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC[NH+](C(C)(C)C)CC1	REAL300020258390	0	54	0.0	-60.07	395.62	6.97	-53.10
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC[NH+](C(C)(C)C)CC1	REAL300020258390	1	54	0.0	-60.10	395.68	6.98	-53.12
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CC[NH+](C(C)(C)C)CC1	REAL300020258391	0	51	0.0	-62.16	375.24	6.24	-55.92
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CC[NH+](C(C)(C)C)CC1	REAL300020258391	1	51	0.0	-62.13	375.30	6.26	-55.87
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CC[NH+](C(C)(C)C)CC1	REAL300020258392	0	58	0.0	-64.50	423.44	9.63	-54.87
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CC[NH+](C(C)(C)C)CC1	REAL300020258392	1	58	0.0	-64.45	423.53	9.62	-54.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020258423	0	52	0.0	-76.97	411.83	9.82	-67.15
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020258424	0	49	0.0	-77.21	391.36	9.05	-68.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020258424	1	49	0.0	-77.24	391.42	9.07	-68.17
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020258478	0	53	0.0	-68.23	388.02	8.52	-59.71
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020258478	1	53	0.0	-68.23	388.08	8.54	-59.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020258479	0	50	0.0	-69.87	365.34	7.68	-62.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020258479	1	50	0.0	-69.88	365.39	7.70	-62.18
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020258628	1	53	0.0	-54.34	406.55	9.00	-45.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020258628	1	53	0.0	-54.16	406.66	10.09	-44.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020258629	1	50	0.0	-51.32	384.41	8.72	-42.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020258629	1	50	0.0	-52.47	384.13	9.25	-43.22
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258642	0	51	0.0	-70.11	387.46	6.65	-63.46
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258642	1	51	0.0	-70.16	387.52	6.67	-63.49
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258643	0	48	0.0	-63.75	380.61	6.28	-57.47
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258643	1	48	0.0	-63.77	380.67	6.31	-57.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)C1	REAL300020258651	1	50	0.0	-64.57	371.84	5.42	-59.15
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)([NH+]2CCOCC2)C1	REAL300020258653	1	54	0.0	-67.27	405.26	7.41	-59.86
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020258909	1	48	0.0	-64.78	399.02	6.58	-58.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020258910	1	45	0.0	-66.60	377.52	5.80	-60.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020258910	1	45	0.0	-66.57	377.46	5.78	-60.79
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259091	0	46	0.0	-66.24	349.71	6.55	-59.69
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259091	1	46	0.0	-65.68	357.43	7.22	-58.46
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259092	0	43	0.0	-63.98	329.63	6.58	-57.40
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259092	1	43	0.0	-66.01	328.42	6.67	-59.34
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259092	1	43	0.0	-63.97	329.69	6.61	-57.36
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259092	1	43	0.0	-65.99	328.47	6.70	-59.29
C=CC[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020259093	0	50	0.0	-70.69	382.26	9.44	-61.25
C=CC[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020259093	1	50	0.0	-71.77	382.58	9.67	-62.10
C=CC[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020259093	1	50	0.0	-70.66	382.22	9.45	-61.21
C=CC[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020259093	1	50	0.0	-71.81	382.55	9.68	-62.13
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020259095	0	50	0.0	-65.91	367.69	7.23	-58.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020259095	1	50	0.0	-65.90	367.75	7.24	-58.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020259096	0	47	0.0	-69.70	345.15	6.40	-63.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020259096	1	47	0.0	-69.74	345.21	6.43	-63.31
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020259097	0	54	0.0	-71.28	401.26	9.38	-61.90
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020259097	1	54	0.0	-71.23	401.03	9.35	-61.88
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1C1CC1	REAL300020259146	1	46	0.0	-62.83	355.11	7.17	-55.66
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1C1CC1	REAL300020259146	1	46	0.0	-60.55	354.00	7.00	-53.55
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+]1C1CC1	REAL300020259147	0	43	0.0	-58.53	334.19	6.55	-51.98
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+]1C1CC1	REAL300020259147	1	43	0.0	-62.97	322.96	5.71	-57.26
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1C1CC1	REAL300020259147	1	43	0.0	-58.54	334.24	6.58	-51.96
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1C1CC1	REAL300020259147	1	43	0.0	-62.95	323.02	5.73	-57.22
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[N@@H+]1C1CC1	REAL300020259148	0	50	0.0	-66.31	391.63	9.21	-57.10
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[N@H+]1C1CC1	REAL300020259148	1	50	0.0	-69.30	380.87	9.44	-59.86
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020259264	1	50	0.0	-68.80	389.83	3.01	-65.79
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020259265	1	47	0.0	-68.57	369.41	2.26	-66.31
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020259266	1	54	0.0	-75.00	421.75	5.10	-69.90
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020259269	0	56	0.0	-63.42	428.16	10.13	-53.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020259269	1	56	0.0	-64.62	423.23	10.27	-54.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020259269	1	56	0.0	-63.47	428.21	10.15	-53.32
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020259269	1	56	0.0	-64.62	423.29	10.29	-54.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020259300	0	48	0.0	-64.07	378.43	6.07	-58.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020259300	1	48	0.0	-64.04	378.37	6.06	-57.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020259301	0	45	0.0	-62.72	356.93	5.29	-57.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020259301	1	45	0.0	-62.68	356.87	5.26	-57.42
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020259604	1	53	0.0	-61.59	383.63	6.70	-54.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020259605	1	50	0.0	-58.03	369.54	5.56	-52.47
CC1=CC=C(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020259608	1	52	0.0	-69.97	404.34	9.57	-60.40
CC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020259609	1	49	0.0	-67.51	382.84	8.79	-58.72
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259632	0	51	0.0	-66.55	371.31	7.44	-59.11
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259632	1	51	0.0	-65.41	376.95	7.44	-57.97
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259632	1	51	0.0	-66.56	371.36	7.45	-59.11
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259632	1	51	0.0	-65.48	377.01	7.45	-58.03
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259633	0	48	0.0	-65.34	349.81	6.64	-58.70
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259633	1	48	0.0	-65.90	355.44	6.64	-59.26
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259633	1	48	0.0	-65.37	349.87	6.67	-58.70
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259633	1	48	0.0	-65.89	355.50	6.67	-59.22
CC(C)[N@H+](C)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020259634	0	55	0.0	-69.56	410.00	9.33	-60.23
CC(C)[N@@H+](C)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020259634	1	55	0.0	-70.75	405.09	9.46	-61.29
CC(C)[N@H+](C)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020259634	1	55	0.0	-69.51	410.05	9.32	-60.19
CC(C)[N@@H+](C)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020259634	1	55	0.0	-70.73	405.14	9.45	-61.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC(F)=CC=C2F)CC1	REAL300020259636	1	49	0.0	-67.85	392.10	8.80	-59.05
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC(F)=CC=C2F)CC1	REAL300020259636	1	49	0.0	-65.20	385.70	9.48	-55.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020259956	0	56	0.0	-66.73	431.72	10.54	-56.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020259956	1	56	0.0	-68.95	422.08	11.18	-57.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020259956	1	56	0.0	-66.71	431.78	10.56	-56.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020259956	1	56	0.0	-68.94	422.14	11.19	-57.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020259957	0	53	0.0	-65.31	410.22	9.76	-55.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020259957	1	53	0.0	-66.94	398.00	10.58	-56.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020259957	1	53	0.0	-65.30	410.27	9.78	-55.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020259957	1	53	0.0	-66.98	398.05	10.59	-56.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020260168	0	57	0.0	-68.16	431.01	7.34	-60.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020260168	1	57	0.0	-66.78	421.79	7.73	-59.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020260168	1	57	0.0	-68.16	431.07	7.35	-60.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020260168	1	57	0.0	-66.78	421.85	7.74	-59.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020260169	0	54	0.0	-67.15	407.20	6.66	-60.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020260169	1	54	0.0	-65.75	400.04	6.83	-58.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020260169	1	54	0.0	-67.11	407.25	6.67	-60.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020260169	1	54	0.0	-65.79	400.09	6.84	-58.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1	REAL300020260227	0	56	0.0	-62.47	424.02	10.44	-52.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1	REAL300020260227	1	56	0.0	-61.73	424.60	10.42	-51.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1	REAL300020260227	1	56	0.0	-62.48	424.07	10.47	-52.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1	REAL300020260227	1	56	0.0	-61.75	424.65	10.43	-51.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020260348	0	54	0.0	-63.69	416.54	10.17	-53.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020260348	1	54	0.0	-70.26	417.27	10.30	-59.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020260348	1	54	0.0	-63.67	416.59	10.18	-53.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020260348	1	54	0.0	-70.25	417.32	10.31	-59.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020260372	0	50	0.0	-62.48	388.78	8.77	-53.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020260372	1	50	0.0	-64.02	373.83	8.62	-55.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020260372	1	50	0.0	-62.48	388.84	8.78	-53.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020260372	1	50	0.0	-64.03	373.89	8.63	-55.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020260373	0	47	0.0	-61.04	351.13	8.42	-52.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020260373	1	47	0.0	-59.50	367.39	7.82	-51.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020260373	1	47	0.0	-61.04	351.08	8.41	-52.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020260373	1	47	0.0	-59.50	367.33	7.79	-51.71
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020260374	0	54	0.0	-67.80	403.74	10.94	-56.86
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020260374	1	54	0.0	-65.74	411.84	10.28	-55.46
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020260374	1	54	0.0	-67.78	403.76	10.93	-56.85
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020260374	1	54	0.0	-65.76	411.89	10.28	-55.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020260375	0	56	0.0	-66.38	406.29	10.04	-56.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020260375	1	56	0.0	-67.22	401.26	8.85	-58.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020260375	1	56	0.0	-66.41	406.35	10.06	-56.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020260375	1	56	0.0	-67.28	401.31	8.86	-58.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020260376	0	53	0.0	-61.13	394.88	9.12	-52.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020260376	1	53	0.0	-60.56	398.58	8.92	-51.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020260376	1	53	0.0	-61.11	394.92	9.14	-51.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020260376	1	53	0.0	-60.59	398.63	8.94	-51.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020260464	0	56	0.0	-69.50	439.42	9.89	-59.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020260464	1	56	0.0	-69.52	439.49	9.92	-59.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020260530	0	56	0.0	-66.31	427.50	9.20	-57.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020260530	1	56	0.0	-65.66	417.96	10.47	-55.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020260530	1	56	0.0	-66.34	427.57	9.23	-57.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020260530	1	56	0.0	-65.66	418.01	10.49	-55.17
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020260551	0	55	0.0	-64.43	422.91	8.47	-55.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020260551	1	55	0.0	-64.39	422.97	8.49	-55.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020260552	0	52	0.0	-66.73	402.07	7.73	-59.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020260552	1	52	0.0	-66.69	402.13	7.75	-58.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020260553	0	62	0.0	-70.24	443.15	10.41	-59.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020260553	1	62	0.0	-68.70	446.48	10.87	-57.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020260553	1	62	0.0	-70.25	443.20	10.43	-59.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020260553	1	62	0.0	-68.70	446.54	10.89	-57.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020260554	0	59	0.0	-66.07	423.38	10.13	-55.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020260554	1	59	0.0	-63.06	436.34	10.48	-52.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020260554	1	59	0.0	-66.11	423.44	10.15	-55.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020260554	1	59	0.0	-63.03	436.40	10.50	-52.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=[NH+]C=C3CCCCN32)CC1	REAL300020260571	1	55	0.0	-57.70	428.64	10.04	-47.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300020260662	0	54	0.0	-65.95	419.92	7.23	-58.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300020260662	1	54	0.0	-66.82	420.18	7.02	-59.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020260678	0	56	0.0	-68.31	420.30	10.30	-58.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC2=CC=CC=C2)CC1C	REAL300020260678	1	56	0.0	-64.51	426.25	9.85	-54.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020260678	1	56	0.0	-68.28	420.35	10.32	-57.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC2=CC=CC=C2)CC1C	REAL300020260678	1	56	0.0	-64.53	426.29	9.87	-54.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020260679	0	52	0.0	-64.28	386.84	8.44	-55.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020260679	1	52	0.0	-66.07	383.82	7.88	-58.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020260679	1	52	0.0	-64.28	386.78	8.43	-55.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020260679	1	52	0.0	-66.04	383.76	7.87	-58.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020260680	0	49	0.0	-65.38	365.21	6.22	-59.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020260680	1	49	0.0	-65.28	359.32	7.27	-58.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020260680	1	49	0.0	-65.34	365.16	6.19	-59.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020260680	1	49	0.0	-65.30	359.28	7.27	-58.03
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020260681	0	56	0.0	-69.51	410.70	10.32	-59.19
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020260681	1	56	0.0	-70.00	409.45	10.57	-59.43
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020260681	1	56	0.0	-69.45	410.73	10.31	-59.14
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020260681	1	56	0.0	-69.99	409.49	10.56	-59.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020260704	1	57	0.0	-62.78	430.38	8.28	-54.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020260705	1	54	0.0	-66.28	410.64	7.51	-58.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020260716	0	57	0.0	-68.56	424.30	7.74	-60.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020260716	1	57	0.0	-67.65	434.20	6.99	-60.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020260716	1	57	0.0	-68.56	424.35	7.75	-60.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020260716	1	57	0.0	-67.66	434.26	7.00	-60.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020260717	0	54	0.0	-69.22	400.04	6.98	-62.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020260717	1	54	0.0	-70.85	408.94	6.22	-64.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020260717	1	54	0.0	-69.24	400.09	7.00	-62.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020260717	1	54	0.0	-70.90	409.00	6.24	-64.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020260781	0	58	0.0	-63.36	438.49	7.19	-56.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020260781	1	58	0.0	-63.41	438.55	7.21	-56.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020260782	0	55	0.0	-64.64	417.23	6.29	-58.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020260782	1	55	0.0	-64.64	417.28	6.32	-58.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020260800	0	56	0.0	-69.60	433.09	10.47	-59.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020260800	1	56	0.0	-68.60	433.85	10.74	-57.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020260801	0	53	0.0	-66.88	418.19	9.23	-57.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020260801	1	53	0.0	-67.50	412.37	9.97	-57.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020260813	0	56	0.0	-71.20	439.91	9.87	-61.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020260813	1	56	0.0	-68.54	431.68	10.65	-57.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020260814	0	53	0.0	-66.89	418.03	9.22	-57.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020260814	1	53	0.0	-67.79	412.54	9.99	-57.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300020260892	0	53	0.0	-73.53	409.73	10.53	-63.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300020260892	1	53	0.0	-72.38	419.98	10.12	-62.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020260908	1	59	0.0	-65.07	437.39	7.44	-57.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020260909	1	56	0.0	-67.48	412.66	7.91	-59.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C(C)C)CC2)CC1	REAL300020260937	0	62	0.0	-62.08	447.58	10.33	-51.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C(C)C)CC2)CC1	REAL300020260937	1	62	0.0	-62.12	447.64	10.36	-51.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@@H+](CC)CC2CC2)CC1	REAL300020260951	0	62	0.0	-66.92	469.47	11.52	-55.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@H+](CC)CC2CC2)CC1	REAL300020260951	1	62	0.0	-67.01	465.38	11.22	-55.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@@H+](CC)CC2CC2)CC1	REAL300020260951	1	62	0.0	-66.92	469.52	11.54	-55.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@H+](CC)CC2CC2)CC1	REAL300020260951	1	62	0.0	-66.98	465.44	11.25	-55.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CSC=C2)CC1	REAL300020260971	1	53	0.0	-64.38	428.74	9.68	-54.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CSC=C2)CC1	REAL300020260972	1	50	0.0	-61.08	405.00	9.01	-52.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCC)CC1	REAL300020261084	1	53	0.0	-64.74	418.22	7.37	-57.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCC)CC1	REAL300020261085	1	50	0.0	-62.26	394.53	6.70	-55.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020261090	0	53	0.0	-64.96	406.17	8.78	-56.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020261090	1	53	0.0	-64.99	406.23	8.79	-56.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020261091	0	50	0.0	-63.83	382.38	8.13	-55.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020261091	1	50	0.0	-63.88	382.43	8.15	-55.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020261093	1	47	0.0	-61.95	377.32	7.96	-53.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020261094	1	44	0.0	-59.21	351.95	7.28	-51.93
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020261095	1	51	0.0	-68.71	405.42	10.11	-58.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020261143	0	57	0.0	-63.89	438.49	8.85	-55.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020261143	1	57	0.0	-63.85	438.54	8.88	-54.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020261164	0	55	0.0	-67.44	416.80	9.34	-58.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020261164	1	55	0.0	-67.96	414.89	9.16	-58.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020261164	1	55	0.0	-67.51	416.86	9.36	-58.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020261164	1	55	0.0	-67.99	414.94	9.17	-58.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020261165	0	52	0.0	-67.66	397.77	8.63	-59.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020261165	1	52	0.0	-70.46	393.70	8.40	-62.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020261165	1	52	0.0	-67.67	397.83	8.66	-59.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020261165	1	52	0.0	-70.42	393.75	8.42	-62.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020261248	0	52	0.0	-68.26	402.89	6.99	-61.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020261248	1	52	0.0	-68.24	402.95	7.00	-61.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020261249	0	49	0.0	-67.26	379.06	6.36	-60.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020261249	1	49	0.0	-67.26	379.01	6.34	-60.92
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020261250	0	56	0.0	-75.47	428.45	9.18	-66.29
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020261250	1	56	0.0	-75.43	428.48	9.17	-66.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+](CC)CC)CC1	REAL300020261271	0	56	0.0	-68.12	434.75	7.63	-60.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300020261272	0	54	0.0	-65.57	422.41	7.55	-58.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2OC)CC1	REAL300020261276	1	54	0.0	-61.74	422.96	8.99	-52.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020261321	0	52	0.0	-64.21	402.87	8.60	-55.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020261321	1	52	0.0	-64.24	402.93	8.61	-55.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020261322	0	49	0.0	-61.86	379.29	7.97	-53.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020261322	1	49	0.0	-61.83	379.25	7.95	-53.88
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020261323	0	56	0.0	-70.47	423.95	10.65	-59.82
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020261323	1	56	0.0	-70.44	423.90	10.66	-59.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C#N)C=C2)CC1	REAL300020261327	1	51	0.0	-78.39	419.75	9.76	-68.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020261328	1	54	0.0	-65.01	417.65	7.72	-57.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020261329	1	51	0.0	-63.34	393.71	7.06	-56.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020261330	0	56	0.0	-68.04	444.47	10.77	-57.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020261331	1	53	0.0	-66.08	420.73	10.11	-55.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020261336	0	55	0.0	-64.96	408.14	8.95	-56.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020261336	1	55	0.0	-64.96	408.20	8.96	-56.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020261337	0	52	0.0	-63.28	380.06	8.26	-55.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020261337	1	52	0.0	-63.28	380.10	8.27	-55.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020261347	0	57	0.0	-71.12	437.32	8.14	-62.98
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020261347	1	57	0.0	-71.13	437.37	8.15	-62.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020261348	0	54	0.0	-68.77	415.87	7.36	-61.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020261348	1	54	0.0	-68.79	415.93	7.38	-61.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020261354	0	50	0.0	-62.88	388.63	8.57	-54.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020261355	0	47	0.0	-60.15	368.83	7.83	-52.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020261355	1	47	0.0	-60.19	368.78	7.80	-52.39
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020261356	0	54	0.0	-69.33	422.23	10.67	-58.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020261359	0	59	0.0	-63.98	439.35	9.89	-54.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020261359	1	59	0.0	-64.00	439.40	9.91	-54.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020261360	0	56	0.0	-61.38	412.53	9.25	-52.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020261360	1	56	0.0	-61.37	412.57	9.27	-52.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020261424	0	50	0.0	-66.56	397.13	8.76	-57.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020261424	1	50	0.0	-66.62	397.19	8.77	-57.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020261425	0	47	0.0	-64.59	375.74	7.99	-56.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020261425	1	47	0.0	-64.57	375.69	7.97	-56.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020261426	0	54	0.0	-71.32	415.94	10.74	-60.58
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020261426	1	54	0.0	-71.27	415.90	10.74	-60.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@H+]2CCCCC2C)CC1	REAL300020261451	0	62	0.0	-65.27	452.33	10.62	-54.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@@H+]2CCCCC2C)CC1	REAL300020261451	1	62	0.0	-67.03	462.88	10.84	-56.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@H+]2CCCCC2C)CC1	REAL300020261451	1	62	0.0	-65.28	452.37	10.63	-54.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@@H+]2CCCCC2C)CC1	REAL300020261451	1	62	0.0	-66.98	462.93	10.86	-56.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020261463	1	56	0.0	-65.07	429.40	7.47	-57.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020261463	1	56	0.0	-65.23	431.38	7.54	-57.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020261464	1	53	0.0	-63.99	405.49	6.82	-57.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020261464	1	53	0.0	-64.85	409.88	6.75	-58.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020261465	1	54	0.0	-63.31	405.29	7.00	-56.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020261466	1	51	0.0	-65.00	386.88	6.34	-58.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020261467	0	58	0.0	-63.69	430.52	6.61	-57.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020261467	1	58	0.0	-63.72	430.57	6.64	-57.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020261512	0	58	0.0	-65.58	435.57	9.76	-55.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020261512	1	58	0.0	-70.85	425.82	9.68	-61.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020261512	1	58	0.0	-65.58	435.63	9.78	-55.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020261512	1	58	0.0	-70.87	425.88	9.70	-61.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020261513	0	55	0.0	-67.16	412.78	9.36	-57.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020261513	1	55	0.0	-67.01	417.37	9.08	-57.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020261513	1	55	0.0	-67.17	412.83	9.36	-57.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020261513	1	55	0.0	-67.02	417.42	9.10	-57.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020261527	0	58	0.0	-66.04	440.82	9.58	-56.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020261527	1	58	0.0	-66.01	440.88	9.59	-56.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020261528	0	55	0.0	-63.65	417.10	8.90	-54.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020261528	1	55	0.0	-63.63	417.14	8.93	-54.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020261540	0	57	0.0	-62.67	434.37	10.25	-52.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020261540	1	57	0.0	-66.78	410.76	9.02	-57.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020261540	1	57	0.0	-62.65	434.42	10.27	-52.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020261540	1	57	0.0	-66.75	410.82	9.03	-57.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020261541	0	54	0.0	-62.67	403.93	9.13	-53.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020261541	1	54	0.0	-66.99	389.27	8.23	-58.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020261541	1	54	0.0	-62.69	403.98	9.15	-53.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020261541	1	54	0.0	-67.08	389.33	8.26	-58.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020261553	0	62	0.0	-64.63	464.53	11.29	-53.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020261553	1	62	0.0	-64.64	464.59	11.31	-53.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020261554	0	59	0.0	-58.76	444.92	10.32	-48.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020261554	1	59	0.0	-58.81	444.97	10.34	-48.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020261555	0	62	0.0	-59.47	460.36	11.17	-48.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020261555	1	62	0.0	-64.55	455.73	10.92	-53.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020261555	1	62	0.0	-59.41	460.42	11.18	-48.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020261555	1	62	0.0	-64.55	455.79	10.93	-53.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020261556	0	59	0.0	-61.47	440.25	10.41	-51.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020261556	1	59	0.0	-69.49	431.44	9.93	-59.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020261556	1	59	0.0	-61.47	440.31	10.43	-51.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020261556	1	59	0.0	-69.49	431.50	9.95	-59.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020261561	0	50	0.0	-62.25	387.42	8.19	-54.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020261561	1	50	0.0	-62.33	386.87	8.40	-53.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020261561	1	50	0.0	-62.28	387.48	8.21	-54.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020261561	1	50	0.0	-62.38	386.92	8.41	-53.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020261562	0	47	0.0	-63.11	347.79	7.09	-56.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020261562	1	47	0.0	-59.20	363.84	7.55	-51.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020261562	1	47	0.0	-63.09	347.74	7.07	-56.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020261562	1	47	0.0	-59.16	363.80	7.52	-51.64
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020261563	0	54	0.0	-68.39	410.52	10.34	-58.05
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020261563	1	54	0.0	-68.32	417.76	10.23	-58.09
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020261563	1	54	0.0	-68.40	410.61	10.32	-58.08
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020261563	1	54	0.0	-68.30	417.82	10.21	-58.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020261607	0	56	0.0	-64.43	422.33	9.54	-54.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020261607	1	56	0.0	-64.43	422.39	9.55	-54.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020261608	0	53	0.0	-63.30	398.59	8.87	-54.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020261608	1	53	0.0	-63.34	398.64	8.89	-54.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020261617	1	54	0.0	-70.54	411.01	7.24	-63.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020261618	1	51	0.0	-69.21	387.73	6.76	-62.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020261628	0	56	0.0	-62.71	417.07	9.44	-53.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020261628	1	56	0.0	-62.77	417.12	9.45	-53.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020261629	0	53	0.0	-59.78	392.98	8.84	-50.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020261629	1	53	0.0	-59.82	393.03	8.86	-50.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020261692	1	57	0.0	-67.63	436.74	8.33	-59.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020261693	1	54	0.0	-66.86	416.09	7.35	-59.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020261745	0	53	0.0	-62.57	402.43	8.93	-53.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020261745	1	53	0.0	-62.56	402.37	8.92	-53.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020261746	0	50	0.0	-62.23	375.60	8.25	-53.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020261746	1	50	0.0	-62.24	375.65	8.27	-53.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300020261749	0	56	0.0	-67.19	437.46	10.72	-56.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300020261750	0	53	0.0	-65.29	415.21	10.09	-55.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC2=CC=CC=C2)CC1	REAL300020261754	1	54	0.0	-66.73	429.01	9.26	-57.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(CC)C2=CC=CC=C2)CC1	REAL300020261758	0	56	0.0	-60.03	426.97	10.54	-49.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(CC)C2=CC=CC=C2)CC1	REAL300020261758	1	56	0.0	-60.05	427.03	10.55	-49.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020261764	0	56	0.0	-66.33	437.93	10.65	-55.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020261764	1	56	0.0	-67.40	434.88	10.58	-56.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020261764	1	56	0.0	-66.32	437.99	10.67	-55.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020261764	1	56	0.0	-67.40	434.94	10.59	-56.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020261765	0	53	0.0	-65.25	411.36	10.00	-55.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020261765	1	53	0.0	-66.52	410.80	9.98	-56.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020261765	1	53	0.0	-65.31	411.41	10.01	-55.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020261765	1	53	0.0	-66.53	410.84	10.00	-56.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020261781	0	55	0.0	-64.87	415.69	9.37	-55.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020261781	1	55	0.0	-64.87	415.74	9.39	-55.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020261782	0	52	0.0	-65.31	390.19	8.37	-56.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020261782	1	52	0.0	-65.31	390.24	8.39	-56.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020261800	0	57	0.0	-65.59	419.74	10.16	-55.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020261800	1	57	0.0	-65.58	419.79	10.17	-55.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020261801	0	54	0.0	-59.71	392.26	9.82	-49.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020261801	1	54	0.0	-59.77	392.15	9.84	-49.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020261839	0	56	0.0	-64.04	426.92	10.45	-53.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020261839	1	56	0.0	-61.72	431.31	10.39	-51.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020261839	1	56	0.0	-64.33	428.25	10.44	-53.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020261839	1	56	0.0	-61.73	431.37	10.42	-51.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020261840	0	56	0.0	-61.66	423.57	9.78	-51.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020261840	1	56	0.0	-61.69	423.63	9.79	-51.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020261841	0	53	0.0	-60.49	401.67	8.98	-51.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020261841	1	53	0.0	-60.50	401.73	9.00	-51.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020261860	1	50	0.0	-68.39	415.40	9.28	-59.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020261861	1	47	0.0	-63.74	388.45	8.75	-54.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020261886	1	56	0.0	-65.67	429.01	7.53	-58.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020261886	1	56	0.0	-65.86	435.45	7.80	-58.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020261887	1	53	0.0	-63.20	410.59	6.89	-56.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020261887	1	53	0.0	-61.13	417.27	6.91	-54.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020261979	0	54	0.0	-70.57	419.39	7.30	-63.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020261979	1	54	0.0	-70.60	419.34	7.28	-63.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020261980	0	51	0.0	-68.25	395.61	6.61	-61.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020261980	1	51	0.0	-68.25	395.65	6.63	-61.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(CC)C1	REAL300020261994	0	56	0.0	-68.59	434.03	10.64	-57.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(CC)C1	REAL300020261994	1	56	0.0	-64.94	433.16	10.56	-54.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(CC)C1	REAL300020261994	1	56	0.0	-68.59	434.08	10.65	-57.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(CC)C1	REAL300020261994	1	56	0.0	-64.95	433.22	10.58	-54.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020262078	1	50	0.0	-69.69	414.49	9.07	-60.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020262079	1	47	0.0	-67.99	393.05	8.31	-59.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020262110	0	53	0.0	-61.87	406.71	9.02	-52.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020262110	1	53	0.0	-61.91	406.65	9.00	-52.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020262111	0	50	0.0	-63.89	381.78	8.28	-55.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020262111	1	50	0.0	-63.87	381.71	8.26	-55.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CCOC)C(CCC)C1	REAL300020262120	0	59	0.0	-64.28	448.85	8.38	-55.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CCOC)C(CCC)C1	REAL300020262120	1	59	0.0	-69.73	433.99	7.97	-61.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CCOC)C(CCC)C1	REAL300020262121	0	56	0.0	-62.57	413.10	7.08	-55.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CCOC)C(CCC)C1	REAL300020262121	1	56	0.0	-59.14	419.94	7.64	-51.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020262212	0	56	0.0	-70.72	447.04	10.97	-59.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020262212	1	56	0.0	-70.71	447.10	10.99	-59.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020262213	0	53	0.0	-68.13	425.60	10.19	-57.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020262213	1	53	0.0	-68.15	425.65	10.22	-57.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020262218	1	50	0.0	-64.63	396.36	6.40	-58.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020262219	1	47	0.0	-62.19	372.67	5.74	-56.45
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020262220	1	54	0.0	-70.62	417.11	8.39	-62.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020262229	1	56	0.0	-64.78	438.49	8.11	-56.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020262230	1	53	0.0	-62.33	414.80	7.45	-54.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020262239	0	54	0.0	-68.00	415.35	7.17	-60.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020262239	1	54	0.0	-67.99	415.29	7.16	-60.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020262240	0	51	0.0	-65.48	389.48	6.16	-59.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020262240	1	51	0.0	-65.47	389.53	6.18	-59.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020262249	0	57	0.0	-69.69	435.80	8.11	-61.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020262250	0	54	0.0	-68.72	411.95	7.43	-61.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020262250	1	54	0.0	-68.73	412.00	7.45	-61.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020262251	0	61	0.0	-68.53	462.33	10.80	-57.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020262251	1	61	0.0	-70.40	465.11	10.85	-59.55
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020262251	1	61	0.0	-68.49	462.39	10.81	-57.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020262251	1	61	0.0	-70.42	465.17	10.87	-59.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020262252	0	58	0.0	-67.88	439.54	10.17	-57.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020262252	1	58	0.0	-69.86	443.67	10.09	-59.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020262252	1	58	0.0	-67.87	439.59	10.18	-57.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020262252	1	58	0.0	-69.88	443.73	10.12	-59.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020262253	0	62	0.0	-67.79	453.81	10.88	-56.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020262253	1	62	0.0	-67.85	453.87	10.90	-56.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020262254	0	59	0.0	-66.32	430.53	10.08	-56.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020262254	1	59	0.0	-66.38	430.58	10.09	-56.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020262259	0	53	0.0	-68.80	435.78	10.04	-58.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020262260	0	50	0.0	-66.19	412.00	9.35	-56.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020262260	1	50	0.0	-66.20	412.05	9.38	-56.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020262323	0	52	0.0	-61.65	394.67	7.94	-53.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020262323	1	52	0.0	-61.68	394.72	7.95	-53.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020262324	0	49	0.0	-59.33	373.28	7.18	-52.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020262324	1	49	0.0	-59.33	373.22	7.16	-52.17
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020262325	0	56	0.0	-66.61	413.42	9.94	-56.67
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020262325	1	56	0.0	-66.51	413.46	9.92	-56.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020262372	0	54	0.0	-68.05	422.32	10.78	-57.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020262372	1	54	0.0	-68.09	422.37	10.79	-57.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020262373	0	49	0.0	-62.74	375.51	8.03	-54.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020262373	1	49	0.0	-62.87	375.56	8.03	-54.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020262374	0	46	0.0	-59.21	357.19	7.00	-52.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020262374	1	46	0.0	-60.42	356.26	7.07	-53.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020262374	1	46	0.0	-59.16	357.14	6.98	-52.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020262374	1	46	0.0	-60.43	356.21	7.05	-53.38
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020262375	0	53	0.0	-70.88	393.49	9.09	-61.79
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020262375	1	53	0.0	-67.74	403.60	9.78	-57.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020262415	0	56	0.0	-69.29	446.21	10.69	-58.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020262415	1	56	0.0	-62.49	434.59	10.83	-51.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020262415	1	56	0.0	-69.39	446.26	10.72	-58.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020262415	1	56	0.0	-62.48	434.64	10.86	-51.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020262475	0	56	0.0	-63.36	418.50	9.28	-54.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020262475	1	56	0.0	-63.34	418.56	9.30	-54.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020262476	0	53	0.0	-62.07	393.94	8.83	-53.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020262476	1	53	0.0	-62.11	393.99	8.84	-53.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020262481	0	53	0.0	-63.19	407.84	9.05	-54.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020262481	1	53	0.0	-63.21	407.78	9.04	-54.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020262482	0	50	0.0	-60.57	384.06	8.37	-52.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020262482	1	50	0.0	-60.61	384.10	8.39	-52.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020262483	0	59	0.0	-66.53	444.17	10.52	-56.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020262483	1	59	0.0	-66.51	444.22	10.54	-55.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020262484	0	56	0.0	-63.37	420.60	9.88	-53.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020262484	1	56	0.0	-63.37	420.65	9.89	-53.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020262485	0	49	0.0	-62.15	380.89	7.69	-54.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020262486	0	46	0.0	-59.77	357.15	7.03	-52.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020262486	1	46	0.0	-59.75	357.10	7.01	-52.74
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020262487	0	53	0.0	-68.46	397.22	9.47	-58.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020262514	0	61	0.0	-55.17	421.06	9.57	-45.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020262514	1	61	0.0	-55.20	421.12	9.60	-45.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020262515	0	52	0.0	-63.32	396.85	8.38	-54.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020262515	1	52	0.0	-63.26	396.80	8.36	-54.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020262516	0	49	0.0	-59.13	370.03	7.72	-51.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020262516	1	49	0.0	-59.08	369.98	7.69	-51.39
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020262517	0	56	0.0	-69.78	420.51	10.46	-59.32
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020262517	1	56	0.0	-69.77	420.55	10.45	-59.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020262520	0	57	0.0	-70.37	432.96	8.24	-62.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020262521	0	56	0.0	-69.16	435.54	10.72	-58.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020262521	1	56	0.0	-66.54	433.58	10.63	-55.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020262521	1	56	0.0	-69.14	435.60	10.75	-58.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020262521	1	56	0.0	-66.56	433.64	10.65	-55.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020262536	0	56	0.0	-69.49	411.16	9.36	-60.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020262536	1	56	0.0	-61.54	424.05	9.79	-51.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020262536	1	56	0.0	-69.50	411.22	9.37	-60.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020262536	1	56	0.0	-61.55	424.11	9.81	-51.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020262537	0	53	0.0	-55.97	400.70	8.65	-47.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020262537	1	53	0.0	-64.69	393.56	9.34	-55.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020262537	1	53	0.0	-55.99	400.76	8.68	-47.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020262537	1	53	0.0	-64.71	393.62	9.36	-55.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020262542	1	53	0.0	-67.99	423.04	10.09	-57.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020262543	1	50	0.0	-66.03	399.31	9.43	-56.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020262547	0	52	0.0	-61.43	389.18	8.52	-52.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020262547	1	52	0.0	-61.55	390.85	8.37	-53.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020262547	1	52	0.0	-61.46	389.12	8.50	-52.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020262547	1	52	0.0	-61.49	390.79	8.36	-53.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020262548	0	49	0.0	-59.24	373.43	7.74	-51.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020262548	1	49	0.0	-63.63	352.62	7.70	-55.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020262548	1	49	0.0	-59.20	373.38	7.71	-51.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020262548	1	49	0.0	-63.64	352.57	7.68	-55.96
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020262549	0	56	0.0	-67.20	423.43	10.48	-56.72
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020262549	1	56	0.0	-69.10	407.96	10.41	-58.69
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020262549	1	56	0.0	-67.16	423.47	10.47	-56.69
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020262549	1	56	0.0	-69.03	407.98	10.41	-58.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020262550	0	55	0.0	-61.84	393.77	8.97	-52.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020262550	1	55	0.0	-60.76	394.72	8.31	-52.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020262550	1	55	0.0	-61.84	393.83	8.98	-52.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020262550	1	55	0.0	-60.78	394.78	8.32	-52.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020262551	0	52	0.0	-59.41	386.16	8.28	-51.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020262551	1	52	0.0	-56.11	378.19	7.67	-48.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020262551	1	52	0.0	-59.43	386.21	8.30	-51.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020262551	1	52	0.0	-56.13	378.24	7.71	-48.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020262552	0	57	0.0	-67.60	424.70	7.84	-59.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020262552	1	57	0.0	-65.83	426.65	7.92	-57.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020262552	1	57	0.0	-67.59	424.76	7.86	-59.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020262552	1	57	0.0	-65.87	426.71	7.93	-57.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020262553	0	54	0.0	-65.40	393.77	7.51	-57.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020262553	1	54	0.0	-66.65	390.93	6.26	-60.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020262553	1	54	0.0	-65.41	393.83	7.54	-57.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020262553	1	54	0.0	-66.65	390.99	6.29	-60.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020262646	0	52	0.0	-73.94	420.21	8.11	-65.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020262646	1	52	0.0	-73.96	420.27	8.13	-65.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(COC)COC)CC1	REAL300020262665	1	57	0.0	-64.05	442.18	7.31	-56.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(COC)COC)CC1	REAL300020262666	1	54	0.0	-61.72	418.44	6.64	-55.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020262667	0	56	0.0	-64.97	435.04	10.73	-54.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020262667	1	56	0.0	-66.75	436.71	10.77	-55.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020262668	0	53	0.0	-64.94	418.17	10.02	-54.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020262668	1	53	0.0	-65.96	414.64	10.04	-55.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020262728	0	56	0.0	-61.68	424.78	7.11	-54.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020262729	0	53	0.0	-58.92	401.05	6.45	-52.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020262732	0	54	0.0	-61.78	419.96	10.25	-51.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020262732	1	54	0.0	-62.93	415.78	9.88	-53.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020262776	0	56	0.0	-59.35	421.35	7.54	-51.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020262776	1	56	0.0	-60.51	421.14	6.79	-53.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020262777	0	53	0.0	-58.00	397.49	6.98	-51.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020262777	1	53	0.0	-59.40	402.63	6.10	-53.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020262805	0	55	0.0	-60.39	407.35	8.37	-52.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020262805	1	55	0.0	-60.44	407.41	8.38	-52.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020262806	0	52	0.0	-57.91	383.62	7.69	-50.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020262806	1	52	0.0	-57.92	383.67	7.72	-50.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020262821	0	52	0.0	-62.94	405.06	8.59	-54.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020262821	1	52	0.0	-62.95	405.12	8.61	-54.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020262822	0	49	0.0	-60.31	383.53	7.84	-52.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020262822	1	49	0.0	-60.32	383.47	7.82	-52.50
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020262823	0	56	0.0	-67.53	419.28	10.56	-56.97
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020262823	1	56	0.0	-67.51	419.33	10.55	-56.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCOC)CC1	REAL300020262826	1	57	0.0	-66.12	451.84	6.63	-59.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCOC)CC1	REAL300020262827	1	54	0.0	-63.77	428.16	5.96	-57.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020262835	1	53	0.0	-67.99	423.04	10.09	-57.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020262836	1	50	0.0	-66.03	399.31	9.43	-56.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020262918	1	51	0.0	-68.30	394.43	6.74	-61.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020262919	1	48	0.0	-64.18	372.89	5.88	-58.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020262924	0	56	0.0	-67.31	429.34	10.66	-56.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020262924	1	56	0.0	-66.44	429.10	10.82	-55.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020262924	1	56	0.0	-67.33	429.39	10.67	-56.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020262924	1	56	0.0	-66.41	429.15	10.83	-55.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020263211	0	56	0.0	-64.70	441.18	7.96	-56.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020263211	1	56	0.0	-64.64	441.23	7.98	-56.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020263212	0	53	0.0	-64.06	419.70	7.18	-56.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020263212	1	53	0.0	-64.02	419.76	7.19	-56.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCOCC2)CC1	REAL300020263273	0	57	0.0	-65.47	407.24	6.65	-58.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCOCC2)CC1	REAL300020263273	1	57	0.0	-65.50	407.30	6.67	-58.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020263279	0	55	0.0	-70.25	386.46	7.88	-62.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020263279	1	55	0.0	-70.21	386.52	7.89	-62.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020263280	0	52	0.0	-66.12	374.14	7.35	-58.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020263280	1	52	0.0	-66.11	374.20	7.38	-58.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020263289	0	56	0.0	-65.25	414.04	8.83	-56.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020263289	1	56	0.0	-65.30	414.10	8.85	-56.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020263290	0	53	0.0	-65.44	384.15	8.18	-57.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020263290	1	53	0.0	-65.42	384.21	8.21	-57.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020263296	0	59	0.0	-65.12	423.53	9.16	-55.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020263296	1	59	0.0	-65.11	423.58	9.17	-55.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020263297	0	56	0.0	-62.66	402.06	8.35	-54.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020263297	1	56	0.0	-62.69	402.11	8.38	-54.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020263309	0	59	0.0	-63.60	449.48	7.79	-55.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020263309	1	59	0.0	-63.66	449.53	7.80	-55.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020263310	0	56	0.0	-66.72	421.64	7.16	-59.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020263310	1	56	0.0	-66.74	421.69	7.17	-59.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020263314	0	57	0.0	-65.86	418.89	7.07	-58.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020263315	0	54	0.0	-65.06	398.98	6.31	-58.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020263315	1	54	0.0	-65.02	399.04	6.33	-58.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020263349	0	53	0.0	-81.18	419.24	9.79	-71.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020263349	1	53	0.0	-81.11	419.18	9.77	-71.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020263350	0	50	0.0	-79.08	401.61	9.15	-69.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020263350	1	50	0.0	-79.07	401.56	9.12	-69.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020263408	0	50	0.0	-65.74	385.02	7.82	-57.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020263408	1	50	0.0	-72.73	372.16	7.41	-65.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020263408	1	50	0.0	-65.74	385.08	7.83	-57.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020263408	1	50	0.0	-72.75	372.21	7.43	-65.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020263409	0	47	0.0	-65.46	365.22	7.10	-58.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020263409	1	47	0.0	-72.24	350.86	6.68	-65.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020263409	1	47	0.0	-65.43	365.16	7.07	-58.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020263409	1	47	0.0	-72.25	350.80	6.65	-65.60
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020263410	0	54	0.0	-72.44	414.44	10.22	-62.22
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020263410	1	54	0.0	-77.20	399.48	9.33	-67.87
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020263410	1	54	0.0	-72.45	414.47	10.21	-62.24
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020263410	1	54	0.0	-77.22	399.51	9.32	-67.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020263419	0	58	0.0	-65.44	438.89	6.97	-58.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020263419	1	58	0.0	-65.42	438.94	6.98	-58.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020263420	0	55	0.0	-65.30	414.40	6.50	-58.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020263420	1	55	0.0	-65.28	414.45	6.52	-58.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020263427	0	52	0.0	-64.86	394.61	8.34	-56.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020263427	1	52	0.0	-63.58	391.16	7.92	-55.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020263427	1	52	0.0	-64.86	394.55	8.32	-56.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020263427	1	52	0.0	-63.60	391.11	7.91	-55.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020263428	0	49	0.0	-66.72	373.09	7.64	-59.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020263428	1	49	0.0	-61.19	371.71	7.17	-54.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020263428	1	49	0.0	-66.77	373.05	7.62	-59.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020263428	1	49	0.0	-61.19	371.66	7.15	-54.04
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020263429	0	56	0.0	-70.91	424.57	10.33	-60.58
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020263429	1	56	0.0	-71.58	414.96	9.98	-61.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020263429	1	56	0.0	-70.88	424.61	10.32	-60.56
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020263429	1	56	0.0	-71.55	414.99	9.96	-61.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020263466	0	61	0.0	-61.81	448.60	9.40	-52.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020263466	1	61	0.0	-61.83	448.65	9.42	-52.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020263467	0	58	0.0	-66.79	430.83	8.76	-58.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020263467	1	58	0.0	-66.78	430.89	8.78	-58.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020263468	1	54	0.0	-70.90	434.53	7.30	-63.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020263469	1	51	0.0	-68.27	410.79	6.64	-61.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020263478	1	49	0.0	-46.93	382.99	6.89	-40.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020263479	1	46	0.0	-58.21	364.62	5.30	-52.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020263515	0	59	0.0	-65.78	451.69	8.41	-57.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020263515	1	59	0.0	-65.72	451.74	8.44	-57.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(CC)C=C2)CC1	REAL300020263518	1	56	0.0	-65.97	441.82	10.81	-55.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020263524	0	56	0.0	-64.06	437.97	10.74	-53.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020263525	0	53	0.0	-60.69	414.23	10.07	-50.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020263529	0	62	0.0	-67.00	428.26	9.71	-57.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020263529	1	62	0.0	-67.03	428.32	9.72	-57.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020263530	0	59	0.0	-62.57	416.27	9.22	-53.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020263530	1	59	0.0	-62.53	416.33	9.24	-53.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020263531	0	49	0.0	-62.29	375.31	7.86	-54.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020263531	1	49	0.0	-65.58	370.97	7.85	-57.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020263532	0	46	0.0	-68.57	339.23	6.42	-62.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020263532	1	46	0.0	-62.72	354.79	6.88	-55.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020263532	1	46	0.0	-68.57	339.18	6.40	-62.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020263532	1	46	0.0	-62.69	354.73	6.85	-55.84
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020263533	0	53	0.0	-75.44	388.14	9.07	-66.37
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020263533	1	53	0.0	-68.67	397.16	9.73	-58.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020263596	0	59	0.0	-65.69	428.92	9.71	-55.98
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020263596	1	59	0.0	-65.68	428.98	9.73	-55.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020263597	0	56	0.0	-62.41	407.60	8.94	-53.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020263597	1	56	0.0	-62.45	407.66	8.97	-53.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020263696	0	56	0.0	-67.43	413.68	9.22	-58.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020263696	1	56	0.0	-67.46	413.73	9.24	-58.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020263697	0	53	0.0	-66.35	377.69	7.67	-58.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020263697	1	53	0.0	-66.38	377.75	7.70	-58.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020263765	0	50	0.0	-69.38	380.64	7.63	-61.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020263765	1	50	0.0	-66.15	381.09	8.10	-58.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020263765	1	50	0.0	-69.39	380.70	7.65	-61.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020263765	1	50	0.0	-66.10	381.15	8.11	-57.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020263766	0	47	0.0	-68.96	357.99	7.12	-61.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020263766	1	47	0.0	-59.95	369.85	6.92	-53.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020263766	1	47	0.0	-68.95	357.94	7.11	-61.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020263766	1	47	0.0	-59.93	369.79	6.89	-53.04
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020263767	0	54	0.0	-72.44	409.22	9.56	-62.88
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020263767	1	54	0.0	-70.54	409.19	9.51	-61.03
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020263767	1	54	0.0	-72.43	409.22	9.54	-62.89
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020263767	1	54	0.0	-70.52	409.23	9.50	-61.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020263930	0	52	0.0	-60.38	391.57	8.43	-51.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020263930	1	52	0.0	-60.12	392.16	8.22	-51.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020263930	1	52	0.0	-60.34	391.63	8.45	-51.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020263930	1	52	0.0	-60.11	392.21	8.23	-51.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020263931	0	49	0.0	-59.37	372.46	7.51	-51.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020263931	1	49	0.0	-60.29	372.65	7.51	-52.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020263931	1	49	0.0	-59.36	372.40	7.48	-51.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020263931	1	49	0.0	-60.27	372.59	7.48	-52.79
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020263932	0	56	0.0	-68.37	417.69	10.42	-57.95
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020263932	1	56	0.0	-66.97	421.26	10.41	-56.56
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020263932	1	56	0.0	-68.31	417.73	10.41	-57.90
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020263932	1	56	0.0	-66.94	421.31	10.40	-56.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020264028	0	56	0.0	-64.96	434.95	10.73	-54.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020264028	1	56	0.0	-66.36	441.45	10.62	-55.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020264029	0	53	0.0	-66.85	409.98	10.19	-56.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020264029	1	53	0.0	-66.16	416.94	9.86	-56.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020264065	0	56	0.0	-66.91	416.43	9.25	-57.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020264065	1	56	0.0	-66.85	416.49	9.27	-57.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020264066	0	53	0.0	-69.78	394.24	8.42	-61.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020264066	1	53	0.0	-69.77	394.29	8.45	-61.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020264085	0	60	0.0	-65.14	430.74	7.40	-57.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020264085	1	60	0.0	-64.96	428.65	7.28	-57.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020264085	1	60	0.0	-65.09	430.80	7.42	-57.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020264085	1	60	0.0	-64.91	428.70	7.29	-57.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020264086	0	57	0.0	-60.57	405.05	6.66	-53.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020264086	1	57	0.0	-60.81	404.91	6.60	-54.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020264086	1	57	0.0	-60.60	405.10	6.70	-53.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020264086	1	57	0.0	-60.84	404.95	6.63	-54.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020264125	1	53	0.0	-67.61	406.61	7.05	-60.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020264126	1	50	0.0	-69.77	396.14	6.20	-63.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020264135	0	53	0.0	-68.07	404.50	7.99	-60.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020264135	1	53	0.0	-79.27	400.02	7.82	-71.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020264135	1	53	0.0	-68.15	404.54	8.01	-60.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020264135	1	53	0.0	-79.28	400.06	7.84	-71.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020264144	1	51	0.0	-64.72	409.81	9.79	-54.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020264145	1	48	0.0	-64.80	386.07	9.12	-55.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020264153	0	58	0.0	-59.54	424.49	9.13	-50.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020264153	1	58	0.0	-59.57	424.55	9.15	-50.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020264154	0	55	0.0	-62.77	409.74	7.73	-55.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020264154	1	55	0.0	-62.80	409.80	7.76	-55.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020264179	0	53	0.0	-71.26	428.19	10.33	-60.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020264179	1	53	0.0	-71.32	428.23	10.36	-60.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020264218	0	57	0.0	-67.07	417.87	9.77	-57.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020264218	1	57	0.0	-67.09	417.92	9.78	-57.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020264219	0	54	0.0	-64.44	396.56	8.96	-55.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020264219	1	54	0.0	-64.43	396.61	8.99	-55.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020264338	1	54	0.0	-51.92	417.07	10.67	-41.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020264338	1	54	0.0	-50.01	420.52	10.22	-39.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020264350	0	55	0.0	-66.35	436.97	8.30	-58.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020264350	1	55	0.0	-66.36	437.03	8.32	-58.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020264351	0	52	0.0	-62.53	414.82	7.72	-54.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020264351	1	52	0.0	-62.51	414.88	7.74	-54.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)C1	REAL300020264358	1	54	0.0	-62.16	404.56	6.67	-55.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)C1	REAL300020264359	1	51	0.0	-63.77	388.09	5.85	-57.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020264705	0	50	0.0	-65.22	390.33	8.39	-56.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020264705	1	50	0.0	-67.97	376.67	8.72	-59.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020264705	1	50	0.0	-65.28	390.38	8.40	-56.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020264705	1	50	0.0	-67.97	376.73	8.73	-59.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020264706	0	47	0.0	-64.05	366.54	7.74	-56.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020264706	1	47	0.0	-67.83	367.33	7.90	-59.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020264706	1	47	0.0	-64.06	366.49	7.72	-56.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020264706	1	47	0.0	-67.83	367.27	7.89	-59.94
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020264707	0	54	0.0	-72.95	405.55	9.64	-63.31
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020264707	1	54	0.0	-72.87	406.11	10.70	-62.17
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020264707	1	54	0.0	-72.97	405.50	9.63	-63.34
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020264707	1	54	0.0	-72.90	406.11	10.71	-62.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020264711	0	54	0.0	-66.04	399.90	8.62	-57.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020264711	1	54	0.0	-66.08	399.95	8.64	-57.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020264712	0	51	0.0	-63.68	372.24	7.77	-55.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020264712	1	51	0.0	-63.73	372.29	7.79	-55.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020264754	0	50	0.0	-60.47	393.57	8.57	-51.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020264754	1	50	0.0	-61.68	390.76	8.58	-53.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020264755	0	47	0.0	-59.21	369.80	7.91	-51.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020264755	1	47	0.0	-62.08	366.22	7.83	-54.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020264755	1	47	0.0	-59.19	369.75	7.88	-51.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020264755	1	47	0.0	-62.03	366.16	7.82	-54.21
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020264756	0	54	0.0	-65.33	419.52	10.49	-54.84
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020264756	1	54	0.0	-64.86	416.83	10.51	-54.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020264841	1	54	0.0	-66.54	429.59	4.25	-62.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020264842	1	51	0.0	-64.17	405.90	3.58	-60.59
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020264872	0	52	0.0	-61.50	418.83	7.24	-54.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020264872	1	52	0.0	-61.47	418.77	7.23	-54.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020264873	0	49	0.0	-61.11	395.16	6.58	-54.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020264873	1	49	0.0	-61.10	395.11	6.56	-54.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020265114	1	57	0.0	-59.69	415.68	8.08	-51.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020265115	1	54	0.0	-58.12	389.04	7.41	-50.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020265117	1	56	0.0	-67.97	444.47	10.77	-57.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020265118	1	53	0.0	-66.07	420.34	10.04	-56.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020265138	0	55	0.0	-66.41	413.54	8.72	-57.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020265138	1	55	0.0	-64.63	409.11	8.80	-55.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020265138	1	55	0.0	-66.37	413.60	8.73	-57.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020265138	1	55	0.0	-64.63	409.16	8.82	-55.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020265139	0	52	0.0	-65.57	392.03	7.93	-57.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020265139	1	52	0.0	-64.12	387.23	8.13	-55.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020265139	1	52	0.0	-65.57	392.08	7.96	-57.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020265139	1	52	0.0	-64.12	387.28	8.15	-55.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020265392	0	55	0.0	-68.16	422.28	10.26	-57.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265392	1	55	0.0	-69.95	411.04	10.68	-59.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020265392	1	55	0.0	-68.18	422.34	10.27	-57.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265392	1	55	0.0	-69.93	411.10	10.70	-59.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020265393	0	52	0.0	-67.19	400.61	9.47	-57.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265393	1	52	0.0	-69.05	384.02	10.00	-59.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020265393	1	52	0.0	-67.13	400.67	9.49	-57.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265393	1	52	0.0	-69.06	384.08	10.02	-59.04
CCN(CC)C(=O)C[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020265455	1	58	0.0	-70.62	441.69	8.26	-62.36
CCN(CC)C(=O)C[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020265455	1	58	0.0	-71.05	435.91	8.19	-62.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC(=O)N2CCCC2)CC1	REAL300020265456	1	56	0.0	-71.55	422.02	7.56	-63.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1	REAL300020265456	1	56	0.0	-71.61	413.62	7.92	-63.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020265639	0	56	0.0	-68.45	408.99	6.85	-61.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020265639	1	56	0.0	-68.79	417.36	6.71	-62.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020265639	1	56	0.0	-68.48	409.05	6.86	-61.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020265639	1	56	0.0	-68.77	417.41	6.73	-62.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020265640	0	53	0.0	-66.30	373.39	6.57	-59.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020265640	1	53	0.0	-67.49	399.83	5.62	-61.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020265640	1	53	0.0	-66.35	373.45	6.58	-59.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020265640	1	53	0.0	-67.47	399.89	5.64	-61.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1	REAL300020265703	0	58	0.0	-65.74	438.60	10.28	-55.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265703	1	58	0.0	-70.23	416.66	9.92	-60.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1	REAL300020265703	1	58	0.0	-65.77	438.65	10.29	-55.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265703	1	58	0.0	-70.22	416.72	9.93	-60.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1	REAL300020265704	0	55	0.0	-63.84	412.87	9.89	-53.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265704	1	55	0.0	-63.17	411.31	10.02	-53.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1	REAL300020265704	1	55	0.0	-63.86	412.92	9.91	-53.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265704	1	55	0.0	-63.16	411.37	10.04	-53.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265823	0	56	0.0	-70.75	426.96	10.25	-60.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265823	1	56	0.0	-68.38	423.30	10.12	-58.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265823	1	56	0.0	-70.76	427.01	10.27	-60.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265823	1	56	0.0	-68.44	423.36	10.14	-58.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265824	0	53	0.0	-65.39	402.46	9.57	-55.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265824	1	53	0.0	-71.79	404.11	9.72	-62.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265824	1	53	0.0	-65.42	402.52	9.60	-55.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265824	1	53	0.0	-71.78	404.17	9.75	-62.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020265852	0	49	0.0	-61.74	372.31	8.04	-53.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020265852	1	49	0.0	-62.02	362.28	7.72	-54.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020265852	1	49	0.0	-61.72	372.36	8.06	-53.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020265852	1	49	0.0	-62.01	362.34	7.73	-54.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020265853	0	46	0.0	-61.69	352.04	7.53	-54.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020265853	1	46	0.0	-60.89	340.66	6.54	-54.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020265853	1	46	0.0	-61.69	352.10	7.55	-54.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020265853	1	46	0.0	-60.92	340.72	6.57	-54.35
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020265854	0	53	0.0	-68.47	399.78	10.52	-57.95
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020265854	1	53	0.0	-67.41	402.69	10.04	-57.37
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020265854	1	53	0.0	-68.45	399.82	10.52	-57.93
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020265854	1	53	0.0	-67.43	402.72	10.03	-57.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020265855	0	55	0.0	-64.52	404.70	9.64	-54.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020265855	1	55	0.0	-62.71	392.88	8.87	-53.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020265855	1	55	0.0	-64.56	404.64	9.63	-54.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020265855	1	55	0.0	-62.74	392.82	8.86	-53.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020265856	0	52	0.0	-64.02	373.54	8.12	-55.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020265856	1	52	0.0	-65.42	381.77	8.43	-56.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020265856	1	52	0.0	-64.00	373.60	8.14	-55.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020265856	1	52	0.0	-65.47	381.82	8.44	-57.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020265951	0	58	0.0	-68.10	446.35	10.09	-58.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020265951	1	58	0.0	-68.13	446.40	10.11	-58.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020265952	0	55	0.0	-68.91	424.82	9.31	-59.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020265952	1	55	0.0	-68.91	424.89	9.33	-59.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020266027	0	58	0.0	-68.78	437.35	10.55	-58.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020266027	1	58	0.0	-67.48	426.20	9.96	-57.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020266027	1	58	0.0	-68.81	437.41	10.57	-58.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020266027	1	58	0.0	-67.46	426.26	9.98	-57.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020266028	0	55	0.0	-67.71	426.31	9.24	-58.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020266028	1	55	0.0	-68.06	417.50	9.16	-58.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020266028	1	55	0.0	-67.70	426.37	9.26	-58.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020266028	1	55	0.0	-68.10	417.55	9.18	-58.92
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020266054	0	54	0.0	-64.74	408.99	7.93	-56.81
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020266054	1	54	0.0	-64.71	409.05	7.94	-56.77
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020266055	0	51	0.0	-66.11	387.47	7.14	-58.97
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020266055	1	51	0.0	-66.14	387.53	7.17	-58.97
CCC[NH+]1CCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020266056	0	58	0.0	-67.41	430.71	10.59	-56.82
CCC[NH+]1CCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020266056	1	58	0.0	-67.42	430.75	10.58	-56.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020266058	0	61	0.0	-66.17	431.22	10.34	-55.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020266058	1	61	0.0	-69.96	427.68	10.18	-59.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020266058	1	61	0.0	-66.15	431.28	10.36	-55.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020266058	1	61	0.0	-69.96	427.74	10.20	-59.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020266059	0	58	0.0	-66.55	409.71	9.56	-56.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020266059	1	58	0.0	-69.55	405.59	9.64	-59.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020266059	1	58	0.0	-66.60	409.77	9.58	-57.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020266059	1	58	0.0	-69.58	405.64	9.67	-59.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=[NH+]C=C3CCCCN32)CC1	REAL300020266079	1	57	0.0	-59.39	437.48	10.07	-49.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=[NH+]C=C3CCCCN32)CC1	REAL300020266080	1	54	0.0	-59.67	415.64	9.46	-50.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300020266180	0	56	0.0	-65.58	430.36	7.32	-58.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300020266180	1	56	0.0	-66.85	425.10	7.31	-59.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300020266181	0	53	0.0	-67.47	407.40	6.46	-61.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300020266181	1	53	0.0	-67.47	406.80	6.66	-60.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC2=CC=CC=C2)CC1C	REAL300020266196	0	58	0.0	-66.08	444.70	9.80	-56.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020266196	1	58	0.0	-68.27	422.35	10.77	-57.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC2=CC=CC=C2)CC1C	REAL300020266197	0	55	0.0	-64.68	411.87	9.98	-54.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020266197	1	55	0.0	-65.71	404.27	9.72	-55.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC2=CC=CC=C2)CC1C	REAL300020266197	1	55	0.0	-64.73	411.93	9.99	-54.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020266197	1	55	0.0	-65.76	404.35	9.76	-56.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020266198	0	51	0.0	-63.22	374.09	7.88	-55.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020266198	1	51	0.0	-64.77	372.72	7.32	-57.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020266198	1	51	0.0	-63.23	374.15	7.89	-55.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020266198	1	51	0.0	-64.76	372.78	7.33	-57.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020266199	0	48	0.0	-61.68	336.14	7.23	-54.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020266199	1	48	0.0	-62.40	348.26	7.19	-55.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020266199	1	48	0.0	-61.69	336.19	7.24	-54.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020266199	1	48	0.0	-62.39	348.32	7.20	-55.19
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020266200	0	55	0.0	-71.18	390.16	9.73	-61.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020266200	1	55	0.0	-69.10	396.07	10.03	-59.07
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020266200	1	55	0.0	-71.15	390.19	9.72	-61.43
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020266200	1	55	0.0	-69.05	396.11	10.02	-59.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020266226	1	56	0.0	-63.67	412.96	7.69	-55.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020266227	1	53	0.0	-66.77	402.42	7.00	-59.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020266240	0	56	0.0	-68.23	417.46	6.31	-61.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020266240	1	56	0.0	-68.23	409.23	6.90	-61.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020266240	1	56	0.0	-68.21	417.52	6.33	-61.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020266240	1	56	0.0	-68.25	409.29	6.92	-61.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020266241	0	53	0.0	-70.37	378.97	5.32	-65.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020266241	1	53	0.0	-66.45	384.94	6.42	-60.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020266241	1	53	0.0	-70.33	379.02	5.33	-65.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020266241	1	53	0.0	-66.40	385.01	6.43	-59.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020266315	0	57	0.0	-65.15	428.12	6.73	-58.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020266315	1	57	0.0	-65.16	428.17	6.75	-58.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020266316	0	54	0.0	-66.35	404.19	5.73	-60.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020266316	1	54	0.0	-66.36	404.25	5.74	-60.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020266333	0	58	0.0	-60.94	443.18	9.78	-51.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020266333	1	58	0.0	-66.27	429.77	10.11	-56.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020266333	1	58	0.0	-60.94	443.24	9.80	-51.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020266333	1	58	0.0	-66.28	429.82	10.14	-56.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020266340	0	55	0.0	-69.71	428.52	9.36	-60.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020266340	1	55	0.0	-69.84	424.14	9.20	-60.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020266341	0	52	0.0	-68.20	407.03	8.59	-59.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020266341	1	52	0.0	-68.13	407.44	8.59	-59.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020266355	0	55	0.0	-70.10	411.00	10.21	-59.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020266355	1	55	0.0	-69.55	430.50	9.38	-60.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020266356	0	52	0.0	-69.61	388.58	9.35	-60.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020266356	1	52	0.0	-68.15	407.43	8.59	-59.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020266442	0	53	0.0	-79.07	417.56	9.93	-69.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020266442	1	53	0.0	-80.31	419.03	10.24	-70.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020266442	1	53	0.0	-79.06	417.61	9.95	-69.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020266442	1	53	0.0	-80.33	419.08	10.26	-70.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300020266443	0	55	0.0	-77.74	410.89	9.40	-68.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300020266443	1	55	0.0	-76.06	426.08	10.38	-65.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300020266444	0	52	0.0	-67.98	388.49	9.32	-58.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300020266444	1	52	0.0	-74.50	396.10	9.96	-64.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020266461	1	58	0.0	-65.64	417.15	8.02	-57.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020266462	1	55	0.0	-66.06	399.86	7.35	-58.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C(C)C)CC2)CC1	REAL300020266492	0	61	0.0	-63.90	434.58	9.77	-54.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C(C)C)CC2)CC1	REAL300020266492	1	61	0.0	-63.92	434.64	9.78	-54.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@H+](CC)CC2CC2)CC1	REAL300020266506	0	61	0.0	-69.04	452.26	10.67	-58.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@@H+](CC)CC2CC2)CC1	REAL300020266506	1	61	0.0	-68.83	456.24	10.95	-57.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@H+](CC)CC2CC2)CC1	REAL300020266506	1	61	0.0	-68.96	452.32	10.68	-58.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@@H+](CC)CC2CC2)CC1	REAL300020266506	1	61	0.0	-68.86	456.29	10.97	-57.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CSC=C2)CC1	REAL300020266530	1	52	0.0	-65.31	413.89	9.05	-56.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CSC=C2)CC1	REAL300020266531	1	49	0.0	-63.16	389.11	7.79	-55.37
CCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020266660	1	52	0.0	-65.39	403.32	6.73	-58.66
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020266661	1	49	0.0	-64.13	381.34	6.12	-58.01
CCOCC[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020266662	1	56	0.0	-71.59	430.92	8.97	-62.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020266667	0	52	0.0	-65.87	391.45	8.14	-57.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020266667	1	52	0.0	-65.90	391.51	8.16	-57.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020266668	0	49	0.0	-65.85	369.76	7.56	-58.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020266668	1	49	0.0	-65.82	369.82	7.57	-58.25
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020266669	0	56	0.0	-69.93	423.73	10.34	-59.59
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020266669	1	56	0.0	-69.88	423.77	10.33	-59.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020266672	1	46	0.0	-63.88	352.33	7.35	-56.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020266673	1	43	0.0	-61.38	339.04	6.68	-54.70
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020266674	1	50	0.0	-68.11	385.75	9.27	-58.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020266730	0	59	0.0	-64.33	447.39	8.91	-55.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020266731	0	56	0.0	-65.67	425.48	8.29	-57.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020266731	1	56	0.0	-65.69	425.55	8.30	-57.39
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020266758	0	54	0.0	-67.83	406.48	8.85	-58.98
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020266758	1	54	0.0	-69.14	403.77	8.64	-60.50
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020266758	1	54	0.0	-67.86	406.54	8.87	-58.99
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020266758	1	54	0.0	-69.15	403.83	8.66	-60.49
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020266759	0	51	0.0	-66.97	384.96	8.08	-58.89
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020266759	1	51	0.0	-68.32	376.71	7.96	-60.36
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020266759	1	51	0.0	-66.94	385.02	8.10	-58.84
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020266759	1	51	0.0	-68.31	376.77	7.98	-60.33
CCC[N@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020266760	0	58	0.0	-72.69	430.49	10.62	-62.07
CCC[N@@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020266760	1	58	0.0	-73.16	431.33	10.62	-62.54
CCC[N@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020266760	1	58	0.0	-72.70	430.51	10.61	-62.09
CCC[N@@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020266760	1	58	0.0	-73.22	431.36	10.60	-62.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300020266787	0	59	0.0	-70.10	442.20	8.26	-61.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020266863	0	51	0.0	-69.22	387.99	6.36	-62.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020266863	1	51	0.0	-69.19	388.04	6.37	-62.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020266864	0	48	0.0	-69.22	366.25	5.78	-63.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020266864	1	48	0.0	-69.25	366.30	5.80	-63.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020266865	0	55	0.0	-74.23	415.38	8.64	-65.59
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020266865	1	55	0.0	-74.28	415.42	8.64	-65.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020266886	0	58	0.0	-73.71	441.88	11.18	-62.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020266886	1	58	0.0	-72.13	442.67	11.00	-61.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020266886	1	58	0.0	-73.73	441.93	11.21	-62.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020266886	1	58	0.0	-72.10	442.73	11.00	-61.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+](CC)CC)CC1	REAL300020266892	0	58	0.0	-67.93	434.99	7.45	-60.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+](CC)CC)CC1	REAL300020266893	0	55	0.0	-68.92	421.79	7.04	-61.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300020266894	0	56	0.0	-68.36	427.51	7.44	-60.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300020266895	0	53	0.0	-66.48	409.62	7.00	-59.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2OC)CC1	REAL300020266899	1	56	0.0	-64.20	431.76	9.03	-55.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2OC)CC1	REAL300020266900	1	53	0.0	-63.66	409.94	8.41	-55.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC(OC)=C2)CC1	REAL300020266911	1	56	0.0	-64.35	435.03	8.74	-55.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020266950	0	51	0.0	-66.24	379.52	8.05	-58.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020266950	1	51	0.0	-66.28	379.58	8.06	-58.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020266951	0	48	0.0	-62.70	370.45	7.30	-55.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020266951	1	48	0.0	-62.69	370.51	7.33	-55.36
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020266952	0	55	0.0	-69.96	418.79	10.09	-59.87
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020266952	1	55	0.0	-69.96	418.83	10.08	-59.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C#N)C=C2)CC1	REAL300020266956	1	53	0.0	-82.37	420.09	9.85	-72.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C#N)C=C2)CC1	REAL300020266957	1	50	0.0	-80.38	406.79	9.18	-71.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020266958	1	53	0.0	-65.84	402.67	7.09	-58.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020266959	1	50	0.0	-65.35	380.83	6.50	-58.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020266960	0	55	0.0	-68.77	429.55	10.15	-58.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020266961	1	52	0.0	-68.04	407.75	9.53	-58.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020266966	0	54	0.0	-66.32	395.78	8.38	-57.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020266966	1	54	0.0	-66.33	395.84	8.40	-57.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020266967	0	51	0.0	-64.71	374.33	7.67	-57.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020266967	1	51	0.0	-64.73	374.38	7.70	-57.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020266968	0	58	0.0	-69.89	424.45	10.25	-59.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020266968	1	58	0.0	-69.86	424.49	10.24	-59.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020266981	0	56	0.0	-71.55	412.41	7.55	-64.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020266981	1	56	0.0	-71.46	412.35	7.53	-63.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020266982	0	53	0.0	-68.19	402.98	6.80	-61.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020266982	1	53	0.0	-68.20	403.04	6.82	-61.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020266989	0	49	0.0	-63.08	381.37	7.98	-55.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020266990	0	46	0.0	-61.29	350.84	7.36	-53.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020266990	1	46	0.0	-61.28	350.89	7.38	-53.90
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020266991	0	53	0.0	-68.52	409.25	10.14	-58.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020266994	0	58	0.0	-65.82	415.92	9.32	-56.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020266994	1	58	0.0	-65.86	415.97	9.34	-56.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020266995	0	55	0.0	-62.17	393.39	8.88	-53.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020266995	1	55	0.0	-62.16	393.45	8.88	-53.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020267064	0	49	0.0	-66.98	372.17	8.14	-58.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020267064	1	49	0.0	-66.97	372.23	8.16	-58.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020267065	0	46	0.0	-64.04	362.80	7.41	-56.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020267065	1	46	0.0	-64.07	362.86	7.43	-56.64
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020267066	0	53	0.0	-70.86	411.35	10.20	-60.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020267066	1	53	0.0	-70.82	411.40	10.19	-60.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@@H+]2CCCCC2C)CC1	REAL300020267096	0	61	0.0	-68.89	446.42	10.40	-58.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@H+]2CCCCC2C)CC1	REAL300020267096	1	61	0.0	-67.16	439.33	10.03	-57.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@@H+]2CCCCC2C)CC1	REAL300020267096	1	61	0.0	-68.95	446.47	10.43	-58.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@H+]2CCCCC2C)CC1	REAL300020267096	1	61	0.0	-67.22	439.39	10.06	-57.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC[NH+](C(C)C)CC2)CC1	REAL300020267100	0	60	0.0	-68.01	433.48	6.62	-61.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC[NH+](C(C)C)CC2)CC1	REAL300020267100	1	60	0.0	-67.99	433.54	6.64	-61.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)CC1	REAL300020267101	0	60	0.0	-66.31	436.31	7.29	-59.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)CC1	REAL300020267101	1	60	0.0	-66.29	436.36	7.32	-58.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C(C)C)CC2)CC1	REAL300020267101	1	60	0.0	-67.49	433.30	7.06	-60.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C(C)C)CC2)CC1	REAL300020267101	1	60	0.0	-67.53	433.36	7.09	-60.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@H+](CC)CC(C)C)CC1	REAL300020267102	0	63	0.0	-67.94	462.22	10.81	-57.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@@H+](CC)CC(C)C)CC1	REAL300020267102	1	63	0.0	-68.09	461.69	10.78	-57.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@H+](CC)CC(C)C)CC1	REAL300020267102	1	63	0.0	-67.95	462.27	10.82	-57.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@@H+](CC)CC(C)C)CC1	REAL300020267102	1	63	0.0	-68.09	461.75	10.79	-57.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020267116	1	55	0.0	-65.40	418.31	6.96	-58.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020267116	1	55	0.0	-65.52	414.50	6.83	-58.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020267117	1	52	0.0	-61.50	392.66	6.23	-55.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020267117	1	52	0.0	-65.69	396.64	6.19	-59.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020267118	1	53	0.0	-64.11	391.67	6.41	-57.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020267119	1	50	0.0	-64.87	373.47	5.76	-59.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020267120	0	60	0.0	-64.20	441.40	7.05	-57.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020267120	1	60	0.0	-64.24	441.46	7.06	-57.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020267121	0	57	0.0	-65.40	417.48	6.05	-59.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020267121	1	57	0.0	-65.35	417.53	6.06	-59.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020267178	0	57	0.0	-67.71	419.44	9.14	-58.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020267178	1	57	0.0	-67.47	421.79	9.38	-58.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020267178	1	57	0.0	-67.76	419.49	9.15	-58.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020267178	1	57	0.0	-67.42	421.85	9.40	-58.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020267179	0	54	0.0	-66.24	404.47	8.52	-57.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020267179	1	54	0.0	-67.33	404.77	8.52	-58.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020267179	1	54	0.0	-66.23	404.52	8.54	-57.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020267179	1	54	0.0	-67.34	404.83	8.55	-58.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020267193	0	57	0.0	-67.93	417.40	9.01	-58.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020267193	1	57	0.0	-67.96	417.46	9.02	-58.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020267194	0	54	0.0	-64.89	408.03	8.27	-56.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020267194	1	54	0.0	-64.90	408.09	8.30	-56.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020267210	0	56	0.0	-63.55	419.45	9.61	-53.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020267210	1	56	0.0	-64.55	406.89	9.10	-55.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020267210	1	56	0.0	-63.55	419.51	9.62	-53.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020267210	1	56	0.0	-64.59	406.95	9.11	-55.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020267211	0	53	0.0	-64.69	391.21	8.55	-56.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020267211	1	53	0.0	-63.51	393.11	8.70	-54.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020267211	1	53	0.0	-64.71	391.27	8.57	-56.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020267211	1	53	0.0	-63.50	393.17	8.72	-54.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020267223	0	61	0.0	-65.79	453.46	10.79	-55.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020267223	1	61	0.0	-65.77	453.52	10.80	-54.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020267224	0	58	0.0	-61.15	431.56	9.96	-51.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020267224	1	58	0.0	-61.12	431.62	9.99	-51.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020267225	0	61	0.0	-63.97	434.72	10.07	-53.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020267225	1	61	0.0	-64.06	449.87	10.45	-53.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020267225	1	61	0.0	-63.96	434.78	10.08	-53.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020267225	1	61	0.0	-64.07	449.92	10.47	-53.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020267226	0	58	0.0	-62.42	417.04	9.62	-52.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020267226	1	58	0.0	-61.84	427.44	9.85	-51.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020267226	1	58	0.0	-62.40	417.09	9.64	-52.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020267226	1	58	0.0	-61.83	427.50	9.88	-51.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020267232	0	49	0.0	-63.79	371.84	7.75	-56.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020267232	1	49	0.0	-62.65	376.25	7.68	-54.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020267232	1	49	0.0	-63.80	371.90	7.77	-56.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020267232	1	49	0.0	-62.64	376.31	7.70	-54.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020267233	0	46	0.0	-65.20	333.83	6.60	-58.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020267233	1	46	0.0	-61.08	350.86	6.96	-54.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020267233	1	46	0.0	-65.20	333.78	6.58	-58.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020267233	1	46	0.0	-61.06	350.80	6.94	-54.12
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020267234	0	53	0.0	-67.58	404.59	9.66	-57.92
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020267234	1	53	0.0	-69.83	398.42	9.82	-60.01
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020267234	1	53	0.0	-67.64	404.54	9.67	-57.97
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020267234	1	53	0.0	-69.79	398.38	9.83	-59.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC[NH+]2C(C)CCC2C)CC1	REAL300020267253	0	60	0.0	-64.56	441.40	6.74	-57.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC[NH+]2C(C)CCC2C)CC1	REAL300020267253	1	60	0.0	-64.56	441.46	6.76	-57.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020267290	0	55	0.0	-65.88	406.85	9.11	-56.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020267290	1	55	0.0	-65.89	406.90	9.12	-56.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020267291	0	52	0.0	-64.71	389.83	8.25	-56.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020267291	1	52	0.0	-64.73	389.89	8.27	-56.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020267302	1	53	0.0	-71.28	397.27	6.65	-64.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020267303	1	50	0.0	-70.78	374.57	6.19	-64.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020267313	0	55	0.0	-63.95	405.98	8.95	-55.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020267313	1	55	0.0	-63.92	406.04	8.96	-54.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020267314	0	52	0.0	-61.47	378.94	8.25	-53.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020267314	1	52	0.0	-61.52	378.99	8.28	-53.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020267392	1	56	0.0	-68.56	424.75	7.57	-60.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020267393	1	53	0.0	-66.37	399.85	6.92	-59.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020267449	0	52	0.0	-63.24	389.56	8.36	-54.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020267449	1	52	0.0	-63.21	389.62	8.38	-54.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020267450	0	49	0.0	-63.79	362.45	7.68	-56.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020267450	1	49	0.0	-63.84	362.51	7.70	-56.14
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020267451	0	56	0.0	-67.98	417.97	10.35	-57.63
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020267451	1	56	0.0	-67.95	418.02	10.35	-57.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300020267454	0	55	0.0	-67.94	424.18	10.11	-57.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300020267455	0	52	0.0	-67.19	402.27	9.52	-57.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC2=CC=CC=C2)CC1	REAL300020267459	1	56	0.0	-71.50	429.80	9.31	-62.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC2=CC=CC=C2)CC1	REAL300020267460	1	53	0.0	-68.13	420.09	8.59	-59.54
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267465	0	58	0.0	-64.88	441.13	10.66	-54.22
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267466	0	55	0.0	-61.96	414.91	9.91	-52.05
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267466	1	55	0.0	-61.95	414.97	9.93	-52.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020267472	0	55	0.0	-67.22	420.30	9.96	-57.26
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020267472	1	55	0.0	-68.26	419.74	9.94	-58.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020267472	1	55	0.0	-67.28	420.36	9.97	-57.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020267472	1	55	0.0	-68.27	419.80	9.96	-58.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020267473	0	52	0.0	-65.96	402.16	9.42	-56.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020267473	1	52	0.0	-68.10	397.64	9.41	-58.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020267473	1	52	0.0	-65.94	402.21	9.44	-56.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020267473	1	52	0.0	-68.14	397.70	9.43	-58.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020267491	0	54	0.0	-66.45	398.72	8.51	-57.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020267491	1	54	0.0	-66.50	398.78	8.53	-57.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020267492	0	51	0.0	-67.40	375.95	8.13	-59.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020267492	1	51	0.0	-67.42	376.01	8.16	-59.26
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020267493	0	58	0.0	-69.69	430.64	10.76	-58.93
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020267493	1	58	0.0	-69.77	430.68	10.75	-59.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020267514	0	56	0.0	-65.55	402.96	9.47	-56.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020267514	1	56	0.0	-65.55	402.90	9.46	-56.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020267515	0	53	0.0	-62.67	376.94	8.96	-53.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020267515	1	53	0.0	-62.70	377.00	8.96	-53.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020267558	0	58	0.0	-62.80	440.04	10.63	-52.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020267558	1	58	0.0	-62.73	440.01	10.63	-52.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020267559	0	55	0.0	-61.03	409.07	9.99	-51.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020267559	1	55	0.0	-61.20	409.55	10.04	-51.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020267559	1	55	0.0	-60.97	409.02	9.97	-51.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020267559	1	55	0.0	-61.24	409.49	10.01	-51.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020267560	0	55	0.0	-60.96	410.39	9.21	-51.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020267560	1	55	0.0	-60.96	410.45	9.22	-51.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020267561	0	52	0.0	-61.12	388.64	8.41	-52.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020267561	1	52	0.0	-61.14	388.70	8.44	-52.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020267579	1	49	0.0	-68.45	390.43	8.68	-59.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020267580	1	46	0.0	-65.83	367.90	8.22	-57.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC(C)=CC=C2OC)CC1	REAL300020267590	1	56	0.0	-61.96	421.34	9.23	-52.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020267606	1	55	0.0	-66.30	425.68	7.12	-59.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020267606	1	55	0.0	-66.34	414.18	6.92	-59.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020267607	1	52	0.0	-61.78	404.17	6.31	-55.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020267607	1	52	0.0	-66.64	392.55	6.30	-60.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020267706	0	53	0.0	-71.27	404.41	6.66	-64.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020267706	1	53	0.0	-71.26	404.47	6.68	-64.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020267707	0	50	0.0	-70.14	382.59	6.04	-64.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020267707	1	50	0.0	-70.14	382.65	6.06	-64.08
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC[N@@H+]1CC1=CC=CC=C1	REAL300020267722	0	58	0.0	-65.73	439.29	10.81	-54.92
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC[N@H+]1CC1=CC=CC=C1	REAL300020267722	1	58	0.0	-62.26	435.61	10.51	-51.75
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC[N@@H+]1CC1=CC=CC=C1	REAL300020267723	0	55	0.0	-65.53	420.19	10.12	-55.41
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC[N@H+]1CC1=CC=CC=C1	REAL300020267723	1	55	0.0	-61.28	410.01	9.63	-51.65
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC[N@@H+]1CC1=CC=CC=C1	REAL300020267723	1	55	0.0	-65.55	420.25	10.13	-55.42
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC[N@H+]1CC1=CC=CC=C1	REAL300020267723	1	55	0.0	-61.33	410.06	9.66	-51.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300020267763	0	57	0.0	-69.03	439.21	8.14	-60.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300020267763	1	57	0.0	-69.07	439.27	8.17	-60.90
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020267836	1	49	0.0	-69.70	389.52	8.47	-61.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020267837	1	46	0.0	-67.45	380.16	7.74	-59.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020267872	0	52	0.0	-61.04	395.75	8.51	-52.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020267872	1	52	0.0	-61.05	395.81	8.52	-52.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020267873	0	49	0.0	-61.31	374.25	7.71	-53.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020267873	1	49	0.0	-61.32	374.30	7.74	-53.58
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020267874	0	56	0.0	-65.44	422.26	10.51	-54.93
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020267874	1	56	0.0	-65.46	422.24	10.50	-54.96
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC[N@@H+]1CCOC	REAL300020267885	0	58	0.0	-64.67	437.49	7.77	-56.90
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC[N@H+]1CCOC	REAL300020267885	1	58	0.0	-66.55	420.84	7.80	-58.75
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC[N@@H+]1CCOC	REAL300020267886	0	55	0.0	-65.95	405.29	6.43	-59.52
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC[N@H+]1CCOC	REAL300020267886	1	55	0.0	-61.04	407.02	7.07	-53.97
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC[N@@H+]1CC1=CC=CC=C1	REAL300020267887	0	58	0.0	-61.39	432.29	10.30	-51.09
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC[N@H+]1CC1=CC=CC=C1	REAL300020267887	1	58	0.0	-60.72	432.24	10.32	-50.40
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC[N@@H+]1CC1=CC=CC=C1	REAL300020267887	1	58	0.0	-61.40	432.34	10.33	-51.07
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC[N@H+]1CC1=CC=CC=C1	REAL300020267887	1	58	0.0	-60.72	432.30	10.33	-50.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C)=[NH+]C(C(C)C)=N2)CC1	REAL300020267983	0	56	0.0	-58.83	440.50	7.94	-50.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020267998	0	55	0.0	-71.29	422.07	10.37	-60.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020267998	1	55	0.0	-71.31	422.13	10.38	-60.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020267999	0	52	0.0	-67.61	412.71	9.63	-57.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020267999	1	52	0.0	-67.63	412.77	9.66	-57.97
CCOC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020268002	1	56	0.0	-71.19	437.70	9.08	-62.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020268005	1	49	0.0	-66.65	373.59	5.79	-60.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020268006	1	46	0.0	-63.52	363.88	5.07	-58.45
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020268007	1	53	0.0	-72.55	403.29	7.87	-64.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020268017	1	55	0.0	-65.43	423.59	7.47	-57.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020268018	1	52	0.0	-64.16	401.61	6.87	-57.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020268027	0	53	0.0	-68.47	390.33	6.55	-61.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020268027	1	53	0.0	-68.47	390.38	6.57	-61.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020268028	0	50	0.0	-65.06	376.59	5.60	-59.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020268028	1	50	0.0	-65.04	376.65	5.62	-59.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020268039	0	56	0.0	-70.79	420.21	7.68	-63.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020268040	0	53	0.0	-70.82	398.19	6.97	-63.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020268040	1	53	0.0	-70.83	398.24	7.00	-63.83
CCCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020268041	0	60	0.0	-69.53	448.50	10.19	-59.34
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020268041	1	60	0.0	-70.73	447.19	10.50	-60.23
CCCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020268041	1	60	0.0	-69.55	448.55	10.21	-59.34
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020268041	1	60	0.0	-70.69	447.25	10.51	-60.18
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020268042	0	57	0.0	-70.75	426.59	9.58	-61.17
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020268042	1	57	0.0	-69.04	430.77	9.52	-59.52
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020268042	1	57	0.0	-70.76	426.65	9.59	-61.17
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020268042	1	57	0.0	-69.00	430.83	9.55	-59.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020268043	0	61	0.0	-68.81	438.95	10.25	-58.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020268043	1	61	0.0	-68.79	439.00	10.26	-58.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020268044	0	58	0.0	-69.23	416.53	9.52	-59.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020268044	1	58	0.0	-69.24	416.58	9.55	-59.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020268049	0	52	0.0	-69.33	420.86	9.42	-59.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020268050	0	49	0.0	-68.04	399.01	8.78	-59.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020268050	1	49	0.0	-68.10	399.07	8.80	-59.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020268123	0	51	0.0	-62.16	369.70	7.33	-54.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020268123	1	51	0.0	-62.19	369.76	7.35	-54.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020268124	0	48	0.0	-58.87	360.33	6.60	-52.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020268124	1	48	0.0	-58.87	360.39	6.62	-52.25
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020268125	0	55	0.0	-65.81	410.21	9.38	-56.43
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020268125	1	55	0.0	-65.80	410.15	9.38	-56.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020268178	0	56	0.0	-70.15	435.61	10.72	-59.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020268178	1	56	0.0	-70.16	435.67	10.73	-59.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020268179	0	53	0.0	-67.75	414.11	9.96	-57.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020268179	1	53	0.0	-67.81	414.16	9.98	-57.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020268180	0	48	0.0	-63.32	356.44	7.21	-56.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020268180	1	48	0.0	-63.11	364.50	7.26	-55.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020268181	0	45	0.0	-61.09	343.40	6.49	-54.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020268181	1	45	0.0	-60.94	347.96	6.37	-54.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020268181	1	45	0.0	-61.11	343.46	6.52	-54.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020268181	1	45	0.0	-61.00	348.02	6.39	-54.61
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020268182	0	52	0.0	-70.07	386.68	9.16	-60.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020268182	1	52	0.0	-74.26	377.29	8.76	-65.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020268228	0	58	0.0	-68.23	450.96	10.76	-57.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020268228	1	58	0.0	-63.69	452.64	10.94	-52.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020268228	1	58	0.0	-68.23	451.02	10.77	-57.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020268228	1	58	0.0	-63.74	452.70	10.96	-52.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020268229	0	55	0.0	-64.89	431.98	10.02	-54.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020268229	1	55	0.0	-65.81	427.25	9.69	-56.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020268229	1	55	0.0	-64.83	432.04	10.04	-54.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020268229	1	55	0.0	-65.81	427.31	9.69	-56.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020268303	0	55	0.0	-65.36	399.09	8.98	-56.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020268303	1	55	0.0	-65.34	399.04	8.96	-56.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020268304	0	52	0.0	-61.88	376.50	8.52	-53.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020268304	1	52	0.0	-61.88	376.55	8.52	-53.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020268309	0	52	0.0	-65.17	383.00	8.48	-56.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020268309	1	52	0.0	-65.13	383.06	8.50	-56.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020268310	0	49	0.0	-61.78	360.46	8.04	-53.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020268310	1	49	0.0	-61.77	360.52	8.04	-53.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020268311	0	56	0.0	-70.29	420.29	10.70	-59.59
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020268311	1	56	0.0	-70.34	420.25	10.71	-59.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020268312	0	58	0.0	-67.10	429.42	9.90	-57.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020268312	1	58	0.0	-67.08	429.47	9.92	-57.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020268313	0	55	0.0	-65.34	398.55	9.44	-55.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020268313	1	55	0.0	-65.32	398.61	9.44	-55.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020268314	0	48	0.0	-62.81	365.97	7.07	-55.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020268315	0	45	0.0	-61.71	344.15	6.45	-55.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020268315	1	45	0.0	-61.69	344.09	6.44	-55.25
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020268316	0	52	0.0	-67.95	392.69	8.92	-59.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020268337	0	63	0.0	-59.12	428.05	9.53	-49.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020268337	1	63	0.0	-59.14	428.11	9.55	-49.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020268338	0	60	0.0	-57.12	408.01	9.02	-48.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020268338	1	60	0.0	-57.16	408.07	9.04	-48.12
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020268340	0	51	0.0	-63.80	371.63	7.72	-56.08
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020268340	1	51	0.0	-63.79	371.69	7.73	-56.06
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020268341	0	48	0.0	-60.89	358.45	7.03	-53.86
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020268341	1	48	0.0	-60.89	358.51	7.04	-53.85
CCC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020268342	0	55	0.0	-69.79	401.97	9.77	-60.02
CCC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020268342	1	55	0.0	-69.75	402.01	9.76	-59.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020268346	0	59	0.0	-72.29	441.07	8.38	-63.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020268347	0	56	0.0	-71.78	419.57	7.60	-64.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268348	0	58	0.0	-70.41	426.03	11.05	-59.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268348	1	58	0.0	-69.21	443.56	10.71	-58.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268348	1	58	0.0	-70.37	425.98	11.03	-59.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268348	1	58	0.0	-69.26	443.50	10.69	-58.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268349	0	55	0.0	-67.18	422.44	10.21	-56.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268349	1	55	0.0	-72.16	407.10	9.67	-62.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268349	1	55	0.0	-67.17	422.50	10.24	-56.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268349	1	55	0.0	-72.22	407.15	9.70	-62.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020268364	0	55	0.0	-67.64	395.00	8.66	-58.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020268364	1	55	0.0	-66.50	406.16	9.48	-57.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020268364	1	55	0.0	-67.68	395.06	8.68	-59.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020268364	1	55	0.0	-66.54	406.22	9.49	-57.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020268365	0	52	0.0	-68.20	378.03	8.06	-60.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020268365	1	52	0.0	-64.84	387.87	8.67	-56.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020268365	1	52	0.0	-68.22	378.09	8.08	-60.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020268365	1	52	0.0	-64.86	387.93	8.68	-56.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020268371	1	52	0.0	-68.69	408.12	9.47	-59.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020268372	1	49	0.0	-66.56	386.39	8.85	-57.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020268376	0	51	0.0	-63.49	382.39	8.04	-55.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020268376	1	51	0.0	-62.36	380.96	7.90	-54.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020268376	1	51	0.0	-63.51	382.45	8.06	-55.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020268376	1	51	0.0	-62.36	381.01	7.91	-54.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020268377	0	48	0.0	-60.92	350.85	7.29	-53.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020268377	1	48	0.0	-60.99	355.55	7.17	-53.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020268377	1	48	0.0	-60.93	350.91	7.30	-53.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020268377	1	48	0.0	-61.03	355.61	7.19	-53.84
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020268378	0	55	0.0	-68.47	410.36	10.01	-58.46
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020268378	1	55	0.0	-67.15	394.02	9.44	-57.71
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020268378	1	55	0.0	-68.42	410.41	9.99	-58.43
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020268378	1	55	0.0	-67.17	394.05	9.43	-57.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020268379	0	54	0.0	-62.48	391.41	8.15	-54.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020268379	1	54	0.0	-60.89	376.12	7.60	-53.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020268379	1	54	0.0	-62.47	391.47	8.16	-54.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020268379	1	54	0.0	-60.90	376.18	7.62	-53.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020268380	0	51	0.0	-61.50	355.70	7.79	-53.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020268380	1	51	0.0	-61.38	359.55	6.96	-54.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020268380	1	51	0.0	-61.54	355.76	7.82	-53.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020268380	1	51	0.0	-61.35	359.61	6.98	-54.37
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020268381	0	58	0.0	-70.32	409.81	9.69	-60.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020268381	1	58	0.0	-64.78	413.95	9.78	-55.00
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020268381	1	58	0.0	-70.32	409.82	9.69	-60.63
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020268381	1	58	0.0	-64.76	413.98	9.77	-54.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020268382	0	56	0.0	-66.56	409.05	7.25	-59.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020268382	1	56	0.0	-69.02	395.87	6.39	-62.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020268382	1	56	0.0	-66.53	409.11	7.27	-59.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020268382	1	56	0.0	-69.00	395.93	6.40	-62.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020268383	0	53	0.0	-66.72	374.63	7.05	-59.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020268383	1	53	0.0	-60.94	373.25	6.27	-54.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020268383	1	53	0.0	-66.76	374.69	7.07	-59.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020268383	1	53	0.0	-60.94	373.30	6.29	-54.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020268474	0	51	0.0	-73.47	405.61	7.52	-65.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020268474	1	51	0.0	-73.42	405.67	7.55	-65.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(COC)COC)CC1	REAL300020268495	1	56	0.0	-64.81	427.25	6.69	-58.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(COC)COC)CC1	REAL300020268496	1	53	0.0	-62.99	409.40	6.00	-56.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020268497	0	55	0.0	-65.70	423.93	10.21	-55.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020268497	1	55	0.0	-65.65	423.85	10.21	-55.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020268498	0	52	0.0	-64.30	402.42	9.44	-54.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020268498	1	52	0.0	-63.98	389.14	9.70	-54.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020268566	0	55	0.0	-63.61	401.36	6.54	-57.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020268567	0	52	0.0	-60.81	388.04	5.87	-54.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020268572	0	56	0.0	-66.87	427.89	10.26	-56.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020268572	1	56	0.0	-65.47	419.46	9.91	-55.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020268573	0	53	0.0	-66.25	403.74	9.89	-56.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020268573	1	53	0.0	-61.90	400.93	9.38	-52.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020268628	0	55	0.0	-61.16	411.07	6.30	-54.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020268628	1	55	0.0	-60.00	411.61	7.08	-52.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020268629	0	52	0.0	-59.74	389.50	5.53	-54.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020268629	1	52	0.0	-57.96	390.11	6.30	-51.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020268662	0	54	0.0	-61.02	392.43	7.74	-53.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020268662	1	54	0.0	-61.05	392.49	7.75	-53.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020268663	0	51	0.0	-59.76	370.61	7.13	-52.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020268663	1	51	0.0	-59.79	370.67	7.14	-52.65
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020268664	0	58	0.0	-67.54	419.82	10.04	-57.50
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020268664	1	58	0.0	-67.44	419.86	10.03	-57.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020268681	0	51	0.0	-63.44	392.05	8.04	-55.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020268681	1	51	0.0	-63.37	391.99	8.03	-55.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020268682	0	48	0.0	-59.46	370.17	7.26	-52.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020268682	1	48	0.0	-59.46	370.23	7.29	-52.17
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020268683	0	55	0.0	-68.23	409.93	10.09	-58.14
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020268683	1	55	0.0	-68.28	409.97	10.08	-58.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCOC)CC1	REAL300020268686	1	56	0.0	-66.80	436.95	5.98	-60.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCOC)CC1	REAL300020268687	1	53	0.0	-65.66	414.96	5.38	-60.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020268696	1	52	0.0	-68.69	408.12	9.47	-59.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020268697	1	49	0.0	-66.56	386.39	8.85	-57.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC2=CC=CC=C2)C(C)C1C	REAL300020268705	0	58	0.0	-61.47	413.16	10.05	-51.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC2=CC=CC=C2)C(C)C1C	REAL300020268705	1	58	0.0	-66.30	424.03	9.22	-57.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC2=CC=CC=C2)C(C)C1C	REAL300020268705	1	58	0.0	-61.45	413.21	10.07	-51.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC2=CC=CC=C2)C(C)C1C	REAL300020268705	1	58	0.0	-66.33	424.08	9.25	-57.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020268786	1	50	0.0	-69.00	373.98	5.93	-63.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020268787	1	47	0.0	-66.05	360.82	5.29	-60.76
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020268788	1	54	0.0	-72.92	413.15	7.96	-64.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020268795	0	58	0.0	-71.21	437.13	10.73	-60.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020268795	1	58	0.0	-70.93	441.06	10.93	-60.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020268795	1	58	0.0	-71.25	437.19	10.75	-60.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020268795	1	58	0.0	-70.93	441.12	10.94	-59.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020268796	0	55	0.0	-68.93	424.58	10.26	-58.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020268796	1	55	0.0	-68.31	415.01	10.21	-58.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020268796	1	55	0.0	-68.94	424.64	10.28	-58.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020268796	1	55	0.0	-68.29	415.07	10.24	-58.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300020268916	0	58	0.0	-64.28	434.87	10.53	-53.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300020268916	1	58	0.0	-63.57	434.75	10.49	-53.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300020268916	1	58	0.0	-64.29	434.93	10.56	-53.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300020268916	1	58	0.0	-63.53	434.81	10.51	-53.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020269115	0	55	0.0	-66.01	428.42	7.40	-58.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020269115	1	55	0.0	-66.06	428.47	7.41	-58.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020269116	0	52	0.0	-64.84	406.93	6.62	-58.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020269116	1	52	0.0	-64.80	406.99	6.66	-58.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCOCC2)CC1	REAL300020269184	0	59	0.0	-67.64	412.18	6.92	-60.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCOCC2)CC1	REAL300020269185	0	56	0.0	-68.70	387.43	6.01	-62.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCOCC2)CC1	REAL300020269185	1	56	0.0	-68.73	387.49	6.03	-62.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020269192	0	54	0.0	-67.88	379.21	7.49	-60.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020269192	1	54	0.0	-67.90	379.27	7.51	-60.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020269193	0	51	0.0	-66.88	361.33	6.80	-60.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020269193	1	51	0.0	-66.88	361.39	6.82	-60.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020269194	0	58	0.0	-72.22	408.81	9.57	-62.65
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020269194	1	58	0.0	-72.23	408.88	9.56	-62.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020269208	0	55	0.0	-64.08	401.37	8.29	-55.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020269208	1	55	0.0	-64.08	401.42	8.30	-55.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020269209	0	52	0.0	-63.68	380.06	7.52	-56.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020269209	1	52	0.0	-63.70	380.11	7.54	-56.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020269217	0	58	0.0	-63.86	410.46	8.59	-55.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020269217	1	58	0.0	-63.88	410.52	8.61	-55.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020269218	0	55	0.0	-63.42	388.87	7.76	-55.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020269218	1	55	0.0	-63.43	388.92	7.79	-55.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020269232	0	58	0.0	-64.74	434.18	7.23	-57.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020269232	1	58	0.0	-64.74	434.23	7.24	-57.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020269233	0	55	0.0	-68.35	416.05	6.42	-61.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020269233	1	55	0.0	-68.35	416.11	6.45	-61.90
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020269238	0	56	0.0	-66.82	403.99	6.44	-60.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020269239	0	53	0.0	-65.79	386.24	5.79	-60.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020269239	1	53	0.0	-65.83	386.18	5.76	-60.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020269280	0	52	0.0	-79.88	405.49	9.22	-70.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020269280	1	52	0.0	-79.91	405.44	9.20	-70.71
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020269281	0	49	0.0	-81.04	383.32	8.69	-72.35
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020269281	1	49	0.0	-80.99	383.27	8.66	-72.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020269348	0	49	0.0	-67.12	369.25	7.39	-59.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020269348	1	49	0.0	-66.66	370.08	7.20	-59.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020269348	1	49	0.0	-67.15	369.31	7.40	-59.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020269348	1	49	0.0	-66.65	370.13	7.21	-59.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020269349	0	46	0.0	-70.39	338.01	6.06	-64.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020269349	1	46	0.0	-65.88	356.95	6.74	-59.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020269349	1	46	0.0	-70.35	338.07	6.09	-64.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020269349	1	46	0.0	-65.93	357.00	6.77	-59.16
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020269350	0	53	0.0	-75.55	386.81	8.82	-66.73
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020269350	1	53	0.0	-70.19	406.70	9.51	-60.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020269350	1	53	0.0	-75.54	386.84	8.81	-66.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020269350	1	53	0.0	-70.14	406.74	9.50	-60.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020269361	0	57	0.0	-67.44	422.51	6.64	-60.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020269361	1	57	0.0	-67.45	422.57	6.65	-60.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020269362	0	54	0.0	-67.35	401.51	5.93	-61.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020269362	1	54	0.0	-67.33	401.57	5.95	-61.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020269370	0	51	0.0	-65.49	381.39	7.77	-57.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020269370	1	51	0.0	-64.26	376.16	7.28	-56.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020269370	1	51	0.0	-65.56	381.45	7.78	-57.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020269370	1	51	0.0	-64.28	376.22	7.29	-56.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020269371	0	48	0.0	-62.50	361.82	7.08	-55.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020269371	1	48	0.0	-61.82	358.47	6.56	-55.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020269371	1	48	0.0	-62.49	361.88	7.11	-55.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020269371	1	48	0.0	-61.80	358.53	6.59	-55.21
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020269372	0	55	0.0	-71.46	405.30	9.74	-61.72
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020269372	1	55	0.0	-72.43	396.98	9.39	-63.04
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020269372	1	55	0.0	-71.47	405.27	9.75	-61.72
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020269372	1	55	0.0	-72.46	396.96	9.39	-63.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020269412	0	58	0.0	-59.28	435.88	12.62	-46.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020269412	1	58	0.0	-62.82	434.10	10.39	-52.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020269412	1	58	0.0	-59.31	435.94	12.64	-46.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020269412	1	58	0.0	-62.81	434.15	10.42	-52.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020269413	0	60	0.0	-62.44	435.08	9.08	-53.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020269413	1	60	0.0	-62.50	435.14	9.09	-53.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020269414	0	57	0.0	-64.79	428.18	9.76	-55.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020269414	1	57	0.0	-64.80	428.23	9.78	-55.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020269415	1	53	0.0	-71.47	419.61	6.68	-64.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020269416	1	50	0.0	-69.00	388.09	6.24	-62.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020269425	1	48	0.0	-59.48	373.28	5.53	-53.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020269426	1	45	0.0	-57.56	351.79	4.75	-52.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020269467	0	61	0.0	-68.37	460.55	8.48	-59.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020269468	0	58	0.0	-67.59	438.68	7.85	-59.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020269468	1	58	0.0	-67.58	438.74	7.86	-59.72
CCC1=CC=C(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020269471	1	58	0.0	-69.38	442.14	10.90	-58.48
CCC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020269472	1	55	0.0	-67.92	428.85	10.23	-57.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020269479	0	55	0.0	-64.63	423.04	10.11	-54.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020269480	0	52	0.0	-62.60	401.23	9.49	-53.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	REAL300020269481	0	56	0.0	-73.75	407.06	4.93	-68.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020269485	0	61	0.0	-65.97	415.32	9.14	-56.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020269485	1	61	0.0	-66.00	415.38	9.15	-56.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020269486	0	58	0.0	-63.30	403.11	8.63	-54.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020269486	1	58	0.0	-63.30	403.17	8.66	-54.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020269487	0	48	0.0	-64.66	356.73	7.23	-57.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020269487	1	48	0.0	-63.31	358.03	7.21	-56.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020269488	0	45	0.0	-61.34	337.84	6.36	-54.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020269488	1	45	0.0	-66.41	320.79	5.99	-60.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020269488	1	45	0.0	-61.35	337.79	6.34	-55.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020269488	1	45	0.0	-66.37	320.74	5.98	-60.39
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020269489	0	52	0.0	-69.63	386.87	9.26	-60.37
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020269489	1	52	0.0	-74.13	375.58	8.56	-65.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300020269494	0	59	0.0	-70.82	441.42	8.34	-62.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300020269494	1	59	0.0	-71.61	435.04	8.37	-63.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300020269494	1	59	0.0	-70.87	441.48	8.37	-62.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300020269494	1	59	0.0	-71.62	435.10	8.38	-63.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020269499	0	58	0.0	-60.29	413.82	10.36	-49.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020269499	1	58	0.0	-61.42	438.44	11.06	-50.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020269499	1	58	0.0	-60.30	413.88	10.38	-49.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020269499	1	58	0.0	-61.50	438.50	11.09	-50.41
CCC(C1=CC=C(F)C=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020269527	1	55	0.0	-67.50	410.82	10.25	-57.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020269561	0	58	0.0	-64.42	413.39	9.07	-55.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020269561	1	58	0.0	-64.43	413.45	9.08	-55.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020269562	0	55	0.0	-63.30	394.81	8.39	-54.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020269562	1	55	0.0	-63.24	394.87	8.42	-54.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020269566	0	56	0.0	-69.86	420.65	10.58	-59.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020269566	1	56	0.0	-70.30	423.76	10.17	-60.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020269566	1	56	0.0	-69.86	420.70	10.59	-59.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020269566	1	56	0.0	-70.32	423.82	10.20	-60.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020269665	0	55	0.0	-65.97	397.92	8.58	-57.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020269665	1	55	0.0	-65.99	397.98	8.59	-57.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020269666	0	52	0.0	-66.92	365.19	7.09	-59.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020269666	1	52	0.0	-66.92	365.25	7.11	-59.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020269672	0	56	0.0	-70.03	424.07	10.45	-59.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020269672	1	56	0.0	-55.31	420.28	10.22	-45.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020269672	1	56	0.0	-70.03	424.13	10.47	-59.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020269672	1	56	0.0	-55.33	420.34	10.23	-45.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020269743	0	49	0.0	-64.97	364.26	6.87	-58.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020269743	1	49	0.0	-68.08	369.00	7.05	-61.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020269743	1	49	0.0	-64.98	364.32	6.89	-58.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020269743	1	49	0.0	-68.09	369.06	7.06	-61.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020269744	0	46	0.0	-66.41	354.78	6.97	-59.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020269744	1	46	0.0	-70.32	347.60	6.25	-64.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020269744	1	46	0.0	-66.41	354.84	6.99	-59.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020269744	1	46	0.0	-70.32	347.66	6.28	-64.04
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020269745	0	53	0.0	-70.52	396.67	8.97	-61.55
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020269745	1	53	0.0	-72.22	396.67	8.99	-63.23
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020269745	1	53	0.0	-70.48	396.70	8.96	-61.52
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020269745	1	53	0.0	-72.19	396.70	8.99	-63.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020269934	0	51	0.0	-61.61	376.57	7.79	-53.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020269934	1	51	0.0	-61.32	375.81	7.81	-53.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020269934	1	51	0.0	-61.64	376.62	7.81	-53.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020269934	1	51	0.0	-61.34	375.87	7.82	-53.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020269935	0	48	0.0	-59.27	355.63	6.97	-52.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020269935	1	48	0.0	-58.72	359.49	6.92	-51.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020269935	1	48	0.0	-59.24	355.70	7.00	-52.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020269935	1	48	0.0	-58.70	359.54	6.94	-51.76
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020269936	0	55	0.0	-66.41	404.88	9.73	-56.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020269936	1	55	0.0	-67.46	402.53	9.80	-57.66
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020269936	1	55	0.0	-66.46	404.85	9.73	-56.73
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020269936	1	55	0.0	-67.45	402.47	9.81	-57.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020270039	0	55	0.0	-66.18	415.06	10.14	-56.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020270039	1	55	0.0	-69.25	408.72	9.45	-59.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020270040	0	52	0.0	-64.43	393.61	9.57	-54.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020270040	1	52	0.0	-65.40	402.29	9.55	-55.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020270083	0	55	0.0	-67.40	406.09	8.78	-58.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020270083	1	55	0.0	-67.43	406.15	8.79	-58.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020270084	0	52	0.0	-67.12	384.59	7.99	-59.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020270084	1	52	0.0	-67.12	384.64	8.02	-59.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020270104	0	59	0.0	-65.45	413.77	6.64	-58.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020270104	1	59	0.0	-65.08	413.91	6.69	-58.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020270104	1	59	0.0	-65.44	413.83	6.65	-58.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020270104	1	59	0.0	-65.07	413.97	6.71	-58.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020270105	0	56	0.0	-61.09	392.19	6.05	-55.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020270105	1	56	0.0	-60.14	396.06	6.01	-54.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020270105	1	56	0.0	-61.07	392.25	6.07	-55.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020270105	1	56	0.0	-60.16	396.12	6.03	-54.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020270146	1	52	0.0	-68.22	400.54	6.31	-61.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020270147	1	49	0.0	-69.07	383.24	5.65	-63.42
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020270148	1	56	0.0	-72.31	432.96	8.38	-63.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270157	0	55	0.0	-76.45	419.15	7.61	-68.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270157	1	55	0.0	-79.09	408.09	7.78	-71.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270157	1	55	0.0	-76.50	419.21	7.62	-68.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270157	1	55	0.0	-79.09	408.15	7.79	-71.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270158	0	52	0.0	-78.20	383.52	6.80	-71.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270158	1	52	0.0	-79.09	400.64	7.21	-71.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270158	1	52	0.0	-78.24	383.58	6.83	-71.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270158	1	52	0.0	-79.12	400.69	7.23	-71.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020270168	1	50	0.0	-65.70	394.90	9.16	-56.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020270169	1	47	0.0	-66.79	373.06	8.55	-58.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020270177	0	57	0.0	-60.94	416.67	7.92	-53.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020270177	1	57	0.0	-60.97	416.73	7.94	-53.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020270178	0	54	0.0	-62.19	395.13	7.12	-55.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020270178	1	54	0.0	-62.21	395.19	7.15	-55.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020270206	0	55	0.0	-74.90	437.05	10.39	-64.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020270207	0	52	0.0	-72.46	419.12	9.70	-62.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020270207	1	52	0.0	-72.48	419.18	9.73	-62.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020270249	0	56	0.0	-68.77	406.58	9.32	-59.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020270249	1	56	0.0	-68.77	406.63	9.33	-59.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020270250	0	53	0.0	-65.84	382.86	8.38	-57.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020270250	1	53	0.0	-65.83	382.91	8.40	-57.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020270386	1	56	0.0	-54.62	421.12	10.63	-43.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020270386	1	56	0.0	-54.50	418.24	10.57	-43.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020270387	1	53	0.0	-50.85	400.68	9.91	-40.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020270387	1	53	0.0	-51.82	406.89	10.15	-41.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020270399	0	54	0.0	-62.35	419.36	7.84	-54.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020270399	1	54	0.0	-62.38	419.42	7.86	-54.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020270400	0	51	0.0	-66.87	393.46	7.30	-59.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020270400	1	51	0.0	-66.88	393.52	7.31	-59.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020270642	1	48	0.0	-66.78	396.08	6.76	-60.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020270642	1	48	0.0	-66.79	396.01	6.75	-60.04
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020270807	0	49	0.0	-66.38	375.52	7.77	-58.61
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020270807	1	49	0.0	-66.24	371.57	8.21	-58.03
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020270808	0	46	0.0	-66.38	338.33	6.50	-59.88
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020270808	1	46	0.0	-62.70	356.40	7.20	-55.50
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020270808	1	46	0.0	-66.41	338.39	6.53	-59.88
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020270808	1	46	0.0	-62.71	356.46	7.23	-55.48
C=CC[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020270809	0	53	0.0	-71.81	392.96	9.11	-62.70
C=CC[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020270809	1	53	0.0	-71.23	401.03	10.36	-60.87
C=CC[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020270809	1	53	0.0	-71.83	392.93	9.12	-62.71
C=CC[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020270809	1	53	0.0	-71.22	400.99	10.35	-60.87
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020270812	0	53	0.0	-66.98	384.68	7.98	-59.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020270812	1	53	0.0	-66.97	384.74	7.99	-58.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020270813	0	50	0.0	-69.89	362.65	7.44	-62.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020270813	1	50	0.0	-69.87	362.71	7.46	-62.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020270859	1	49	0.0	-61.21	378.63	7.93	-53.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020270859	1	49	0.0	-60.62	377.87	8.02	-52.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020270860	0	46	0.0	-58.02	360.71	7.25	-50.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020270860	1	46	0.0	-59.73	352.23	7.29	-52.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020270860	1	46	0.0	-58.03	360.76	7.27	-50.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020270860	1	46	0.0	-59.72	352.29	7.31	-52.41
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020270861	0	53	0.0	-65.88	410.64	10.00	-55.88
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020270861	1	53	0.0	-65.83	404.89	10.01	-55.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020270960	1	53	0.0	-67.14	414.70	3.61	-63.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020270961	1	50	0.0	-66.01	392.71	3.00	-63.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020270992	0	51	0.0	-62.34	403.91	6.61	-55.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020270992	1	51	0.0	-62.31	403.87	6.60	-55.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020270993	0	48	0.0	-62.84	382.16	6.00	-56.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020270993	1	48	0.0	-62.85	382.10	5.99	-56.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020271270	1	56	0.0	-63.10	413.42	7.25	-55.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020271271	1	53	0.0	-63.05	393.10	6.72	-56.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020271274	1	55	0.0	-68.63	429.55	10.15	-58.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020271275	1	52	0.0	-67.95	407.36	9.47	-58.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020271297	0	54	0.0	-65.69	396.01	8.16	-57.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020271297	1	54	0.0	-65.21	400.32	8.15	-57.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020271297	1	54	0.0	-65.66	396.06	8.17	-57.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020271297	1	54	0.0	-65.16	400.37	8.16	-57.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020271298	0	51	0.0	-66.24	374.10	7.59	-58.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020271298	1	51	0.0	-64.75	378.82	7.36	-57.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020271298	1	51	0.0	-66.25	374.15	7.60	-58.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020271298	1	51	0.0	-64.76	378.88	7.39	-57.37
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020271299	0	58	0.0	-70.32	423.44	10.27	-60.05
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020271299	1	58	0.0	-71.34	416.83	10.10	-61.24
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020271299	1	58	0.0	-70.29	423.48	10.26	-60.03
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020271299	1	58	0.0	-71.35	416.85	10.08	-61.27
C1=CC=C(CCN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)C=C1	REAL300020271655	0	56	0.0	-64.37	437.67	11.26	-53.11
C1=CC=C(CCN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[N@H+](C3CC3)CC2)C=C1	REAL300020271655	1	56	0.0	-64.68	432.45	11.18	-53.50
C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)C=C1	REAL300020271655	1	56	0.0	-64.36	437.62	11.24	-53.12
C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[N@H+](C3CC3)CC2)C=C1	REAL300020271655	1	56	0.0	-64.63	432.39	11.15	-53.48
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1C	REAL300020271729	0	58	0.0	-68.49	424.33	10.94	-57.55
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1C	REAL300020271729	1	58	0.0	-64.58	433.80	10.93	-53.65
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1C	REAL300020271729	1	58	0.0	-68.46	424.27	10.92	-57.54
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1C	REAL300020271729	1	58	0.0	-64.57	433.74	10.91	-53.66
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CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271845	1	58	0.0	-72.40	447.43	9.54	-62.86
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271861	0	58	0.0	-65.96	441.92	11.33	-54.63
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271861	1	58	0.0	-65.91	441.86	11.32	-54.59
C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](C3CCC3)CC2)C=C1	REAL300020271869	0	56	0.0	-65.00	436.97	11.02	-53.98
C1=CC=C(CCN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CCC3)CC2)C=C1	REAL300020271869	1	56	0.0	-65.03	437.03	11.04	-53.99
C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](CC3CC3)CC2)C=C1	REAL300020271888	0	56	0.0	-66.96	444.21	11.19	-55.77
C1=CC=C(CCN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](CC3CC3)CC2)C=C1	REAL300020271888	1	56	0.0	-66.95	444.26	11.22	-55.73
C1=CC=C(CCN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@@H+]3CCCCC3C2)C=C1	REAL300020271916	0	56	0.0	-66.74	433.12	10.82	-55.92
C1=CC=C(CCN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@H+]3CCCCC3C2)C=C1	REAL300020271916	1	56	0.0	-63.67	424.16	10.95	-52.72
C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@@H+]3CCCCC3C2)C=C1	REAL300020271916	1	56	0.0	-66.75	433.06	10.79	-55.96
C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@H+]3CCCCC3C2)C=C1	REAL300020271916	1	56	0.0	-63.65	424.11	10.96	-52.69
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020272066	1	56	0.0	-67.65	427.12	9.05	-58.60
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020272084	0	58	0.0	-61.43	431.96	10.62	-50.81
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020272084	1	58	0.0	-61.45	432.01	10.62	-50.83
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1C	REAL300020272093	0	58	0.0	-68.30	444.75	11.06	-57.24
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1C	REAL300020272093	1	58	0.0	-68.21	437.55	10.98	-57.23
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1C	REAL300020272094	0	55	0.0	-64.06	425.42	10.20	-53.86
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1C	REAL300020272094	1	55	0.0	-63.65	424.89	10.30	-53.35
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1C	REAL300020272094	1	55	0.0	-64.08	425.36	10.18	-53.90
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1C	REAL300020272094	1	55	0.0	-63.70	424.82	10.28	-53.42
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020272120	0	58	0.0	-66.70	451.05	10.96	-55.74
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020272121	0	55	0.0	-64.61	425.36	10.24	-54.37
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020272121	1	55	0.0	-64.58	425.30	10.24	-54.34
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020272139	0	58	0.0	-64.04	425.96	10.98	-53.06
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020272139	1	58	0.0	-64.06	426.01	10.98	-53.08
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020272145	0	58	0.0	-66.11	438.15	11.09	-55.02
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020272145	1	58	0.0	-64.88	436.96	10.95	-53.93
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020272145	1	58	0.0	-66.15	438.20	11.11	-55.04
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020272145	1	58	0.0	-64.77	437.01	10.96	-53.81
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272225	0	58	0.0	-61.30	451.60	11.03	-50.27
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272225	1	58	0.0	-61.26	451.66	11.05	-50.21
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCC3=CC=CC=C3)CCC21	REAL300020272348	0	56	0.0	-68.34	433.74	10.30	-58.04
C[N@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCC3=CC=CC=C3)CCC21	REAL300020272348	1	56	0.0	-74.27	418.24	9.80	-64.47
C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCC3=CC=CC=C3)CCC21	REAL300020272348	1	56	0.0	-68.28	433.80	10.32	-57.96
C[N@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCC3=CC=CC=C3)CCC21	REAL300020272348	1	56	0.0	-74.28	418.30	9.83	-64.45
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC[N@@H+]1C	REAL300020272350	0	58	0.0	-65.12	443.90	10.63	-54.49
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC[N@H+]1C	REAL300020272350	1	58	0.0	-64.26	440.40	10.41	-53.85
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC[N@@H+]1C	REAL300020272350	1	58	0.0	-65.12	443.85	10.60	-54.52
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC[N@H+]1C	REAL300020272350	1	58	0.0	-64.24	440.34	10.39	-53.85
C[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272374	0	58	0.0	-66.39	443.92	11.09	-55.30
C[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272374	1	58	0.0	-66.22	444.66	10.87	-55.35
C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272375	0	55	0.0	-71.19	406.76	9.57	-61.62
C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272375	1	55	0.0	-64.25	418.90	10.14	-54.11
C[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272375	1	55	0.0	-71.18	406.70	9.54	-61.64
C[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272375	1	55	0.0	-64.25	418.84	10.12	-54.13
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCC3=CC=CC=C3)C[C@]2(C)C1	REAL300020272416	0	56	0.0	-64.96	431.84	10.20	-54.76
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCC3=CC=CC=C3)C[C@]2(C)C1	REAL300020272416	1	56	0.0	-70.89	436.22	10.79	-60.10
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCC3=CC=CC=C3)C[C@]2(C)C1	REAL300020272416	1	56	0.0	-65.01	431.79	10.18	-54.83
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCC3=CC=CC=C3)C[C@]2(C)C1	REAL300020272416	1	56	0.0	-70.91	436.14	10.77	-60.14
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272449	0	58	0.0	-61.24	440.97	10.73	-50.51
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272449	1	58	0.0	-63.29	436.97	10.77	-52.52
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272449	1	58	0.0	-61.21	440.91	10.70	-50.51
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272449	1	58	0.0	-63.30	436.92	10.74	-52.56
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020272620	0	56	0.0	-67.40	438.94	11.10	-56.30
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020272620	1	56	0.0	-67.28	434.77	10.81	-56.47
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020272620	1	56	0.0	-67.40	438.89	11.08	-56.32
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020272620	1	56	0.0	-67.29	434.72	10.80	-56.49
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC[N@@H+]1C1CC1	REAL300020272633	0	56	0.0	-61.25	437.76	11.00	-50.25
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC[N@H+]1C1CC1	REAL300020272633	1	56	0.0	-62.60	433.63	11.07	-51.53
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC[N@@H+]1C1CC1	REAL300020272633	1	56	0.0	-61.26	437.81	11.03	-50.23
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC[N@H+]1C1CC1	REAL300020272633	1	56	0.0	-62.63	433.69	11.08	-51.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020272763	0	56	0.0	-69.17	415.92	7.85	-61.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020272763	1	56	0.0	-67.85	417.70	9.06	-58.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020272763	1	56	0.0	-69.12	415.98	7.87	-61.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020272763	1	56	0.0	-67.83	417.75	9.08	-58.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020272929	0	57	0.0	-65.54	423.58	5.52	-60.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020272929	1	57	0.0	-68.22	428.06	5.11	-63.11
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020272929	1	57	0.0	-65.56	423.64	5.54	-60.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020272929	1	57	0.0	-68.26	428.11	5.14	-63.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020273086	0	53	0.0	-63.93	398.64	7.55	-56.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020273086	1	53	0.0	-62.18	402.62	6.76	-55.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020273086	1	53	0.0	-63.96	398.69	7.56	-56.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020273086	1	53	0.0	-62.19	402.68	6.77	-55.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020273087	0	50	0.0	-61.22	384.34	6.48	-54.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020273087	1	50	0.0	-60.11	374.34	5.61	-54.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020273087	1	50	0.0	-61.21	384.39	6.50	-54.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020273087	1	50	0.0	-60.14	374.39	5.64	-54.50
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020273088	0	59	0.0	-65.69	428.71	7.97	-57.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020273088	1	59	0.0	-63.67	426.55	7.92	-55.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020273088	1	59	0.0	-65.64	428.65	7.95	-57.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020273088	1	59	0.0	-63.71	426.50	7.91	-55.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020273089	0	56	0.0	-63.03	407.20	7.17	-55.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020273089	1	56	0.0	-61.34	405.63	6.74	-54.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020273089	1	56	0.0	-63.02	407.26	7.19	-55.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020273089	1	56	0.0	-61.33	405.68	6.76	-54.57
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273216	0	58	0.0	-65.30	442.67	6.98	-58.32
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273216	1	58	0.0	-65.34	442.72	6.99	-58.35
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273217	0	55	0.0	-60.68	415.38	6.16	-54.52
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273217	1	55	0.0	-60.67	415.43	6.16	-54.51
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020273320	0	55	0.0	-64.36	398.36	6.98	-57.38
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020273320	1	55	0.0	-63.33	407.51	6.96	-56.37
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020273320	1	55	0.0	-64.39	398.41	6.99	-57.40
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020273320	1	55	0.0	-63.35	407.57	6.98	-56.37
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020273321	0	52	0.0	-62.43	382.51	6.18	-56.25
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020273321	1	52	0.0	-61.84	381.93	6.23	-55.61
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020273321	1	52	0.0	-62.39	382.55	6.20	-56.19
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020273321	1	52	0.0	-61.82	381.98	6.25	-55.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020273341	1	57	0.0	-65.70	436.10	6.05	-59.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020273349	0	57	0.0	-65.57	429.35	4.76	-60.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020273349	1	57	0.0	-66.42	420.40	5.46	-60.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020273349	1	57	0.0	-65.56	429.40	4.78	-60.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020273349	1	57	0.0	-66.43	420.45	5.49	-60.94
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCOC)C2)CC1	REAL300020273393	0	58	0.0	-65.05	430.86	5.05	-60.00
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCOC)C2)CC1	REAL300020273393	1	58	0.0	-65.06	430.92	5.06	-60.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020273408	0	56	0.0	-66.71	428.52	8.49	-58.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020273408	1	56	0.0	-68.29	442.85	7.67	-60.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020273419	0	56	0.0	-66.88	428.10	8.44	-58.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020273419	1	56	0.0	-69.64	427.94	7.19	-62.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020273493	1	59	0.0	-65.88	433.53	6.40	-59.48
CCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273614	1	56	0.0	-65.16	437.00	5.77	-59.39
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273615	1	53	0.0	-63.10	415.01	5.17	-57.93
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020273619	0	56	0.0	-66.02	425.12	7.19	-58.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020273619	1	56	0.0	-66.03	425.17	7.21	-58.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020273620	0	53	0.0	-65.42	403.51	6.61	-58.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020273620	1	53	0.0	-65.43	403.57	6.62	-58.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020273621	1	50	0.0	-63.02	394.46	6.58	-56.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020273622	1	47	0.0	-59.73	367.46	5.91	-53.82
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020273623	1	54	0.0	-67.30	426.10	8.63	-58.67
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273668	0	58	0.0	-68.18	435.33	7.75	-60.43
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273668	1	58	0.0	-69.03	432.48	7.55	-61.48
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273668	1	58	0.0	-68.19	435.39	7.77	-60.42
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273668	1	58	0.0	-69.07	432.54	7.57	-61.50
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273669	0	55	0.0	-66.75	418.63	7.12	-59.63
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273669	1	55	0.0	-69.71	415.77	6.91	-62.80
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273669	1	55	0.0	-66.76	418.69	7.15	-59.61
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273669	1	55	0.0	-69.71	415.83	6.93	-62.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020273728	0	55	0.0	-68.71	421.59	5.40	-63.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020273728	1	55	0.0	-68.72	421.65	5.41	-63.31
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020273729	0	52	0.0	-68.15	399.65	4.80	-63.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020273729	1	52	0.0	-68.17	399.70	4.82	-63.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020273775	0	55	0.0	-64.99	425.42	7.13	-57.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020273775	1	55	0.0	-65.01	425.48	7.15	-57.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020273776	0	52	0.0	-62.27	399.32	6.46	-55.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020273776	1	52	0.0	-62.24	399.38	6.47	-55.77
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020273779	1	57	0.0	-65.77	436.35	6.14	-59.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020273780	1	54	0.0	-64.30	414.51	5.54	-58.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020273781	1	56	0.0	-66.82	441.19	8.59	-58.23
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273784	0	58	0.0	-64.89	434.42	7.29	-57.60
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273784	1	58	0.0	-64.93	434.48	7.31	-57.62
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273785	0	55	0.0	-64.45	412.92	6.52	-57.93
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273785	1	55	0.0	-64.45	412.98	6.53	-57.92
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020273793	0	57	0.0	-67.65	432.28	5.94	-61.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020273793	1	57	0.0	-67.66	432.34	5.95	-61.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020273799	0	53	0.0	-63.54	406.21	6.99	-56.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020273800	0	50	0.0	-61.07	389.23	6.30	-54.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020273800	1	50	0.0	-61.08	389.29	6.31	-54.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020273803	0	59	0.0	-62.95	440.22	7.64	-55.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020273803	1	59	0.0	-62.96	440.28	7.66	-55.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020273854	0	53	0.0	-65.84	417.99	7.24	-58.60
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020273854	1	53	0.0	-65.83	418.05	7.26	-58.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020273855	0	50	0.0	-64.23	396.47	6.46	-57.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020273855	1	50	0.0	-64.23	396.53	6.48	-57.75
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020273878	1	59	0.0	-65.93	448.18	5.88	-60.05
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020273878	1	59	0.0	-64.87	444.63	6.13	-58.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020273879	1	56	0.0	-65.82	430.49	5.24	-60.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020273879	1	56	0.0	-62.55	423.10	5.35	-57.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020273880	1	57	0.0	-64.14	433.77	5.57	-58.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020273881	1	54	0.0	-65.59	407.15	4.81	-60.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020273909	0	61	0.0	-67.47	453.81	8.25	-59.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020273909	1	61	0.0	-66.26	455.87	8.23	-58.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020273909	1	61	0.0	-67.48	453.87	8.26	-59.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020273909	1	61	0.0	-66.29	455.92	8.24	-58.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020273910	0	58	0.0	-65.61	433.80	7.65	-57.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020273910	1	58	0.0	-68.00	433.56	7.83	-60.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020273910	1	58	0.0	-65.55	433.85	7.68	-57.87
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020273910	1	58	0.0	-68.03	433.62	7.85	-60.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020273922	0	61	0.0	-66.59	459.52	7.99	-58.60
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020273922	1	61	0.0	-66.57	459.58	8.00	-58.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020273923	0	58	0.0	-64.40	437.33	7.41	-56.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020273923	1	58	0.0	-64.45	437.39	7.43	-57.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020273933	0	57	0.0	-63.62	426.68	7.56	-56.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020273933	1	57	0.0	-63.12	425.97	7.71	-55.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020273933	1	57	0.0	-63.61	426.74	7.59	-56.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020273933	1	57	0.0	-63.10	426.03	7.74	-55.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020273949	0	53	0.0	-63.61	405.62	6.82	-56.79
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020273949	1	53	0.0	-62.83	405.61	6.81	-56.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020273949	1	53	0.0	-63.61	405.68	6.83	-56.78
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020273949	1	53	0.0	-62.83	405.67	6.82	-56.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020273950	0	50	0.0	-62.29	367.39	5.62	-56.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020273950	1	50	0.0	-60.39	388.41	5.93	-54.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020273950	1	50	0.0	-62.32	367.44	5.64	-56.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020273950	1	50	0.0	-60.40	388.46	5.96	-54.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020273981	0	59	0.0	-65.01	441.02	7.95	-57.06
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020273981	1	59	0.0	-65.03	441.08	7.97	-57.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020273982	0	56	0.0	-66.07	420.07	7.40	-58.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020273982	1	56	0.0	-66.05	420.13	7.43	-58.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020273990	1	57	0.0	-71.38	430.93	5.72	-65.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020273991	1	54	0.0	-69.28	412.39	5.18	-64.10
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020274001	0	59	0.0	-64.12	434.71	7.84	-56.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020274001	1	59	0.0	-64.10	434.76	7.85	-56.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020274002	0	56	0.0	-61.10	412.61	7.30	-53.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020274002	1	56	0.0	-61.09	412.67	7.33	-53.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020274046	1	57	0.0	-69.55	436.11	6.05	-63.50
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020274091	0	56	0.0	-62.87	421.90	7.56	-55.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020274091	1	56	0.0	-62.86	421.95	7.57	-55.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020274092	0	53	0.0	-62.79	396.12	6.73	-56.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020274092	1	53	0.0	-62.83	396.18	6.75	-56.08
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300020274095	0	56	0.0	-65.96	435.95	8.57	-57.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020274102	0	56	0.0	-65.90	431.88	8.46	-57.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020274102	1	56	0.0	-67.09	431.31	8.46	-58.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020274102	1	56	0.0	-65.88	431.94	8.49	-57.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020274102	1	56	0.0	-67.12	431.37	8.48	-58.64
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274115	0	58	0.0	-65.44	436.55	7.86	-57.58
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274115	1	58	0.0	-65.45	436.60	7.88	-57.57
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274116	0	55	0.0	-67.17	405.47	6.87	-60.30
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274116	1	55	0.0	-67.12	405.53	6.90	-60.22
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020274133	0	57	0.0	-59.36	413.15	8.24	-51.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020274133	1	57	0.0	-59.41	413.20	8.25	-51.16
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020274159	0	59	0.0	-61.17	440.33	8.14	-53.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020274159	1	59	0.0	-61.18	440.39	8.15	-53.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020274160	0	56	0.0	-61.59	422.55	7.47	-54.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020274160	1	56	0.0	-61.63	422.60	7.50	-54.13
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020274179	1	50	0.0	-65.90	414.74	7.00	-58.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020274202	1	59	0.0	-67.04	459.31	6.16	-60.88
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020274202	1	59	0.0	-65.96	447.73	5.97	-59.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020274203	1	56	0.0	-66.29	433.96	5.41	-60.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020274203	1	56	0.0	-67.12	431.50	5.40	-61.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020274275	0	57	0.0	-71.03	438.03	5.70	-65.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020274275	1	57	0.0	-71.01	438.09	5.71	-65.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020274276	0	54	0.0	-69.10	416.06	5.11	-63.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020274276	1	54	0.0	-69.12	416.12	5.12	-64.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020274338	1	50	0.0	-66.89	409.45	6.88	-60.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020274357	0	56	0.0	-60.68	426.72	7.49	-53.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020274357	1	56	0.0	-60.62	426.78	7.50	-53.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020274358	0	53	0.0	-61.72	407.92	6.76	-54.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020274358	1	53	0.0	-61.74	407.98	6.79	-54.95
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC[N@@H+]1CCOC	REAL300020274363	0	59	0.0	-63.00	432.70	5.63	-57.37
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC[N@H+]1CCOC	REAL300020274363	1	59	0.0	-61.26	440.03	6.34	-54.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020274429	0	56	0.0	-67.21	442.06	8.79	-58.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020274429	1	56	0.0	-67.20	442.01	8.77	-58.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020274433	1	53	0.0	-65.07	415.14	4.81	-60.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020274434	1	50	0.0	-63.02	393.23	4.20	-58.82
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020274442	1	59	0.0	-65.20	457.27	6.52	-58.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020274443	1	56	0.0	-63.13	435.29	5.91	-57.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020274450	0	57	0.0	-67.21	436.15	5.65	-61.56
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020274450	1	57	0.0	-67.21	436.21	5.67	-61.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020274451	0	54	0.0	-64.57	405.89	4.74	-59.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020274451	1	54	0.0	-64.57	405.94	4.75	-59.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020274456	0	57	0.0	-70.30	431.86	6.02	-64.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020274456	1	57	0.0	-70.32	431.92	6.05	-64.27
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274457	0	61	0.0	-68.82	460.38	8.63	-60.19
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274457	1	61	0.0	-68.28	460.11	8.68	-59.60
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274457	1	61	0.0	-68.85	460.44	8.64	-60.21
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274457	1	61	0.0	-68.28	460.16	8.69	-59.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020274498	0	55	0.0	-61.02	415.53	6.43	-54.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020274498	1	55	0.0	-61.08	415.59	6.45	-54.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020274499	0	52	0.0	-58.45	389.63	5.74	-52.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020274499	1	52	0.0	-58.47	389.69	5.75	-52.72
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020274538	0	52	0.0	-62.33	402.67	6.41	-55.92
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020274538	1	52	0.0	-64.10	395.36	6.46	-57.64
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020274539	0	49	0.0	-60.11	377.67	5.48	-54.63
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020274539	1	49	0.0	-58.94	369.42	5.72	-53.22
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020274539	1	49	0.0	-60.12	377.62	5.46	-54.66
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020274539	1	49	0.0	-58.91	369.36	5.71	-53.20
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1C	REAL300020274540	0	56	0.0	-67.00	429.48	8.37	-58.63
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1C	REAL300020274540	1	56	0.0	-67.49	426.82	8.36	-59.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020274614	0	59	0.0	-64.24	444.92	8.08	-56.16
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020274614	1	59	0.0	-64.25	444.87	8.06	-56.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020274615	0	56	0.0	-62.11	423.35	7.28	-54.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020274615	1	56	0.0	-62.12	423.40	7.30	-54.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020274618	0	56	0.0	-63.76	426.48	7.45	-56.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020274618	1	56	0.0	-63.74	426.54	7.47	-56.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020274619	0	53	0.0	-61.52	404.50	6.86	-54.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020274619	1	53	0.0	-61.56	404.56	6.88	-54.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020274620	0	59	0.0	-64.31	441.18	8.34	-55.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020274620	1	59	0.0	-64.31	441.23	8.36	-55.95
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020274621	0	52	0.0	-62.68	399.59	6.11	-56.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020274622	0	49	0.0	-60.61	377.61	5.52	-55.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020274622	1	49	0.0	-60.62	377.55	5.50	-55.12
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020274623	0	56	0.0	-67.29	426.29	7.95	-59.34
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274651	0	55	0.0	-62.34	417.26	6.84	-55.50
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274651	1	55	0.0	-62.34	417.32	6.86	-55.48
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274652	0	52	0.0	-59.76	391.56	6.12	-53.64
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274652	1	52	0.0	-59.77	391.62	6.13	-53.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020274668	0	59	0.0	-62.37	442.69	8.42	-53.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020274668	1	59	0.0	-65.08	443.55	8.65	-56.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020274668	1	59	0.0	-62.34	442.75	8.43	-53.91
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020274668	1	59	0.0	-65.06	443.61	8.67	-56.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020274669	0	56	0.0	-64.86	412.07	7.08	-57.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020274669	1	56	0.0	-64.17	425.74	7.64	-56.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020274669	1	56	0.0	-64.89	412.12	7.10	-57.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020274669	1	56	0.0	-64.18	425.80	7.67	-56.51
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020274674	1	56	0.0	-68.41	441.74	8.51	-59.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020274675	1	53	0.0	-66.81	419.39	7.85	-58.96
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020274678	0	55	0.0	-61.87	415.07	6.92	-54.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020274678	1	55	0.0	-62.06	410.89	6.86	-55.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020274678	1	55	0.0	-61.89	415.12	6.93	-54.96
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020274678	1	55	0.0	-62.10	410.94	6.87	-55.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020274679	0	52	0.0	-61.16	389.66	6.23	-54.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020274679	1	52	0.0	-60.28	389.21	6.22	-54.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020274679	1	52	0.0	-61.18	389.71	6.25	-54.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020274679	1	52	0.0	-60.27	389.27	6.24	-54.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020274680	0	58	0.0	-62.76	411.21	7.39	-55.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020274680	1	58	0.0	-62.02	414.73	6.79	-55.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020274680	1	58	0.0	-62.73	411.27	7.41	-55.32
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020274680	1	58	0.0	-62.05	414.79	6.80	-55.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020274681	0	55	0.0	-60.53	389.13	6.85	-53.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020274681	1	55	0.0	-62.05	393.23	6.01	-56.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020274681	1	55	0.0	-60.56	389.19	6.87	-53.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020274681	1	55	0.0	-62.10	393.29	6.03	-56.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020274682	0	57	0.0	-65.40	426.33	5.69	-59.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020274682	1	57	0.0	-67.24	422.75	5.54	-61.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020274682	1	57	0.0	-65.40	426.38	5.72	-59.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020274682	1	57	0.0	-67.29	422.81	5.56	-61.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(COC)COC)CC1	REAL300020274780	1	57	0.0	-62.39	438.70	5.15	-57.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020274781	0	56	0.0	-64.59	436.09	8.49	-56.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020274781	1	56	0.0	-63.75	437.04	8.46	-55.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020274825	0	59	0.0	-62.37	443.48	5.52	-56.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020274826	0	56	0.0	-59.67	421.30	4.95	-54.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020274867	0	59	0.0	-62.22	441.24	5.41	-56.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020274867	1	59	0.0	-60.70	442.91	5.98	-54.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020274868	0	56	0.0	-59.67	419.14	4.61	-55.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020274868	1	56	0.0	-59.21	419.75	5.16	-54.05
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274886	0	58	0.0	-60.97	426.10	6.80	-54.17
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274886	1	58	0.0	-60.98	426.05	6.78	-54.20
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274887	0	55	0.0	-58.67	403.86	6.21	-52.46
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274887	1	55	0.0	-58.70	403.91	6.22	-52.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020274901	0	55	0.0	-62.79	419.43	7.20	-55.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020274901	1	55	0.0	-62.74	419.37	7.19	-55.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020274902	0	52	0.0	-58.86	403.87	6.31	-52.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020274902	1	52	0.0	-58.83	403.93	6.33	-52.50
COCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274904	1	57	0.0	-64.54	448.64	4.43	-60.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020274909	1	56	0.0	-68.41	441.74	8.51	-59.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020274910	1	53	0.0	-66.81	419.39	7.85	-58.96
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020274974	1	54	0.0	-67.58	419.81	5.03	-62.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020274975	1	51	0.0	-65.80	394.44	4.33	-61.47
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020275205	0	59	0.0	-65.34	458.34	6.34	-59.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020275205	1	59	0.0	-65.37	458.39	6.35	-59.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020275206	0	56	0.0	-64.28	440.60	5.68	-58.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020275206	1	56	0.0	-64.26	440.67	5.70	-58.56
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275260	0	58	0.0	-69.11	407.20	6.37	-62.74
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275260	1	58	0.0	-69.11	407.25	6.38	-62.73
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275261	0	55	0.0	-66.65	395.00	5.85	-60.80
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275261	1	55	0.0	-66.63	395.07	5.87	-60.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020275266	0	59	0.0	-63.86	434.88	7.33	-56.53
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020275266	1	59	0.0	-63.84	434.94	7.35	-56.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020275267	0	56	0.0	-66.11	401.53	6.64	-59.47
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020275267	1	56	0.0	-66.15	401.59	6.67	-59.48
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275271	0	59	0.0	-65.01	413.05	6.91	-58.10
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275271	1	59	0.0	-65.00	413.11	6.93	-58.07
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275279	0	59	0.0	-69.17	449.73	5.47	-63.70
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275279	1	59	0.0	-69.23	449.78	5.50	-63.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020275282	0	57	0.0	-65.69	419.91	4.84	-60.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020275307	0	53	0.0	-79.05	417.06	7.73	-71.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020275307	1	53	0.0	-79.06	417.01	7.71	-71.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020275347	0	53	0.0	-68.63	393.26	5.89	-62.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020275347	1	53	0.0	-66.53	403.75	6.25	-60.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020275347	1	53	0.0	-68.66	393.32	5.90	-62.76
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020275347	1	53	0.0	-66.56	403.81	6.26	-60.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020275348	0	50	0.0	-65.82	390.68	5.79	-60.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020275348	1	50	0.0	-66.08	386.04	5.57	-60.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020275348	1	50	0.0	-65.79	390.73	5.81	-59.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020275348	1	50	0.0	-66.09	386.10	5.59	-60.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020275351	0	58	0.0	-66.28	435.19	4.98	-61.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020275351	1	58	0.0	-66.29	435.24	4.99	-61.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020275356	0	55	0.0	-66.48	401.82	6.64	-59.84
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020275356	1	55	0.0	-64.44	409.90	6.27	-58.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020275356	1	55	0.0	-66.50	401.87	6.66	-59.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020275356	1	55	0.0	-64.46	409.96	6.29	-58.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020275357	0	52	0.0	-65.39	391.63	6.19	-59.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020275357	1	52	0.0	-62.20	388.28	5.66	-56.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020275357	1	52	0.0	-65.37	391.69	6.20	-59.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020275357	1	52	0.0	-62.19	388.33	5.69	-56.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020275384	0	61	0.0	-65.70	461.85	8.80	-56.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020275384	1	61	0.0	-65.72	461.91	8.83	-56.89
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020275385	1	54	0.0	-69.05	430.54	5.10	-63.95
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020275392	1	52	0.0	-59.01	406.95	4.59	-54.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020275393	1	49	0.0	-46.88	378.27	4.66	-42.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020275435	0	56	0.0	-61.62	434.69	8.55	-53.07
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020275438	0	52	0.0	-62.96	396.90	6.13	-56.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020275438	1	52	0.0	-66.15	377.04	5.55	-60.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020275439	0	49	0.0	-61.00	375.34	5.33	-55.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020275439	1	49	0.0	-62.67	372.07	5.47	-57.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020275439	1	49	0.0	-60.98	375.40	5.36	-55.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020275439	1	49	0.0	-62.64	372.13	5.50	-57.14
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020275440	0	56	0.0	-68.61	417.59	8.22	-60.39
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020275440	1	56	0.0	-71.47	409.25	7.60	-63.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020275486	0	59	0.0	-62.99	428.48	7.44	-55.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020275486	1	59	0.0	-62.92	428.54	7.46	-55.46
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275559	0	59	0.0	-65.92	431.59	7.63	-58.29
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275559	1	59	0.0	-65.98	431.65	7.64	-58.34
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275560	0	56	0.0	-66.38	398.95	6.15	-60.23
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275560	1	56	0.0	-66.38	399.01	6.17	-60.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020275609	0	53	0.0	-66.46	397.25	6.51	-59.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020275609	1	53	0.0	-66.66	405.27	6.25	-60.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020275609	1	53	0.0	-66.47	397.31	6.52	-59.95
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020275609	1	53	0.0	-66.66	405.33	6.26	-60.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020275610	0	50	0.0	-65.80	375.24	5.97	-59.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020275610	1	50	0.0	-69.15	378.49	5.57	-63.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020275610	1	50	0.0	-65.79	375.30	5.99	-59.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020275610	1	50	0.0	-69.21	378.54	5.59	-63.62
CC[N@@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1(C)C	REAL300020275736	0	55	0.0	-60.65	413.99	6.96	-53.69
CC[N@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1(C)C	REAL300020275736	1	55	0.0	-61.48	410.25	6.84	-54.64
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1(C)C	REAL300020275736	1	55	0.0	-60.67	414.05	6.98	-53.69
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1(C)C	REAL300020275736	1	55	0.0	-61.49	410.30	6.86	-54.63
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1(C)C	REAL300020275737	0	52	0.0	-58.87	393.17	5.97	-52.90
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1(C)C	REAL300020275737	1	52	0.0	-59.01	389.31	6.02	-52.99
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1(C)C	REAL300020275737	1	52	0.0	-58.86	393.22	5.99	-52.87
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1(C)C	REAL300020275737	1	52	0.0	-59.00	389.36	6.05	-52.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020275810	0	56	0.0	-65.66	432.56	8.62	-57.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020275810	1	56	0.0	-61.99	430.45	8.57	-53.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020275839	0	59	0.0	-67.53	434.95	7.67	-59.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020275839	1	59	0.0	-67.54	435.01	7.68	-59.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020275840	0	56	0.0	-70.64	414.21	6.90	-63.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020275840	1	56	0.0	-70.66	414.26	6.93	-63.73
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC[N@H+](CC)CC1	REAL300020275856	0	60	0.0	-55.51	412.87	5.13	-50.38
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC[N@@H+](CC)CC1	REAL300020275856	1	60	0.0	-60.55	409.14	7.45	-53.10
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC[N@H+](CC)CC1	REAL300020275856	1	60	0.0	-55.55	412.92	5.15	-50.40
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC[N@@H+](CC)CC1	REAL300020275856	1	60	0.0	-60.55	409.21	7.47	-53.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020275892	1	56	0.0	-67.77	425.87	5.41	-62.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020275893	1	53	0.0	-69.45	416.91	4.70	-64.75
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020275907	1	54	0.0	-65.09	428.50	8.20	-56.89
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020275908	1	51	0.0	-65.42	406.55	7.60	-57.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020275914	0	61	0.0	-61.46	450.33	6.96	-54.50
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020275914	1	61	0.0	-61.51	450.39	6.97	-54.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020275915	0	58	0.0	-62.80	428.81	6.17	-56.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020275915	1	58	0.0	-62.82	428.87	6.20	-56.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020275969	0	57	0.0	-68.25	410.76	7.54	-60.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020275969	1	57	0.0	-68.26	410.82	7.56	-60.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020276070	0	55	0.0	-70.03	431.67	6.28	-63.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020276070	1	55	0.0	-70.05	431.72	6.29	-63.76
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276341	0	53	0.0	-64.77	408.86	6.69	-58.08
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276341	1	53	0.0	-65.93	412.65	7.14	-58.79
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020276342	0	50	0.0	-64.09	391.03	6.02	-58.07
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020276342	1	50	0.0	-63.58	391.11	6.34	-57.24
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276342	1	50	0.0	-64.06	391.08	6.05	-58.01
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276342	1	50	0.0	-63.55	391.16	6.37	-57.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020276346	0	57	0.0	-66.62	418.39	7.03	-59.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020276346	1	57	0.0	-66.63	418.44	7.04	-59.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020276347	0	54	0.0	-61.85	393.09	6.32	-55.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020276347	1	54	0.0	-61.92	393.14	6.34	-55.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020276379	1	53	0.0	-61.66	402.61	6.84	-54.82
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020276379	1	53	0.0	-60.94	411.55	7.07	-53.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020276380	0	50	0.0	-59.00	390.00	6.27	-52.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020276380	1	50	0.0	-59.62	389.99	6.27	-53.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020276380	1	50	0.0	-59.00	390.05	6.29	-52.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020276380	1	50	0.0	-59.59	390.05	6.29	-53.30
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020276446	1	57	0.0	-66.98	448.37	2.65	-64.33
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020276447	1	54	0.0	-64.93	426.38	2.05	-62.88
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020276473	0	55	0.0	-62.13	437.51	5.66	-56.47
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020276473	1	55	0.0	-62.13	437.46	5.64	-56.49
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020276474	0	52	0.0	-61.94	415.65	5.06	-56.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020276474	1	52	0.0	-61.93	415.59	5.04	-56.89
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020276655	1	57	0.0	-58.62	414.23	5.80	-52.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020276656	1	56	0.0	-66.63	440.59	8.54	-58.09
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020276673	0	58	0.0	-65.29	429.68	7.21	-58.08
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020276673	1	58	0.0	-64.92	434.00	7.19	-57.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020276673	1	58	0.0	-65.31	429.73	7.22	-58.09
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020276673	1	58	0.0	-64.96	434.05	7.20	-57.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020276674	0	55	0.0	-65.18	407.78	6.64	-58.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020276674	1	55	0.0	-64.44	412.49	6.41	-58.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020276674	1	55	0.0	-65.13	407.83	6.65	-58.48
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020276674	1	55	0.0	-64.47	412.55	6.44	-58.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020276877	0	56	0.0	-66.47	427.53	10.28	-56.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020276877	1	56	0.0	-73.17	423.97	11.46	-61.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020276877	1	56	0.0	-66.45	427.59	10.31	-56.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020276877	1	56	0.0	-73.19	424.03	11.48	-61.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020277057	0	57	0.0	-66.71	425.53	7.20	-59.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020277057	1	57	0.0	-67.73	419.97	7.48	-60.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020277057	1	57	0.0	-66.61	425.58	7.23	-59.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020277057	1	57	0.0	-67.76	420.02	7.50	-60.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020277227	0	53	0.0	-65.29	398.99	9.52	-55.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020277227	1	53	0.0	-64.45	401.41	9.42	-55.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020277227	1	53	0.0	-65.27	399.05	9.53	-55.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020277227	1	53	0.0	-64.48	401.47	9.43	-55.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020277228	0	50	0.0	-66.86	373.50	9.31	-57.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020277228	1	50	0.0	-68.24	353.68	7.82	-60.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020277228	1	50	0.0	-66.87	373.45	9.30	-57.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020277228	1	50	0.0	-68.22	353.62	7.80	-60.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020277229	0	59	0.0	-66.80	431.16	10.28	-56.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020277229	1	59	0.0	-67.40	414.23	9.35	-58.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020277229	1	59	0.0	-66.85	431.22	10.29	-56.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020277229	1	59	0.0	-67.42	414.29	9.36	-58.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020277230	0	56	0.0	-68.48	411.09	10.03	-58.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020277230	1	56	0.0	-64.32	403.55	9.65	-54.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020277230	1	56	0.0	-68.48	411.22	10.05	-58.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020277230	1	56	0.0	-64.32	403.63	9.67	-54.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020277370	0	58	0.0	-64.57	437.71	9.53	-55.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020277370	1	58	0.0	-64.59	437.77	9.55	-55.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020277371	0	55	0.0	-64.04	411.40	8.90	-55.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020277371	1	55	0.0	-64.06	411.46	8.93	-55.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020277372	0	62	0.0	-67.87	439.30	11.21	-56.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020277372	1	62	0.0	-70.30	441.95	11.63	-58.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020277372	1	62	0.0	-67.93	439.34	11.23	-56.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020277372	1	62	0.0	-70.32	442.00	11.64	-58.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020277480	0	55	0.0	-66.52	390.35	9.24	-57.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020277480	1	55	0.0	-65.04	405.74	9.08	-55.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020277480	1	55	0.0	-66.50	390.29	9.23	-57.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020277480	1	55	0.0	-65.04	405.68	9.06	-55.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020277481	0	52	0.0	-67.98	371.66	6.43	-61.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020277481	1	52	0.0	-68.65	366.70	8.66	-59.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020277481	1	52	0.0	-67.96	371.61	6.40	-61.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020277481	1	52	0.0	-68.61	366.66	8.65	-59.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020277501	1	57	0.0	-70.20	422.35	8.48	-61.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020277510	0	57	0.0	-69.60	410.56	8.48	-61.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020277510	1	57	0.0	-71.27	404.11	5.86	-65.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020277510	1	57	0.0	-69.65	410.61	8.50	-61.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020277510	1	57	0.0	-71.28	404.17	5.88	-65.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020277558	0	58	0.0	-67.03	427.70	7.68	-59.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020277558	1	58	0.0	-67.01	427.76	7.69	-59.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020277574	0	56	0.0	-74.38	427.38	10.79	-63.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020277574	1	56	0.0	-69.36	426.34	10.40	-58.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020277585	0	56	0.0	-75.07	418.60	9.00	-66.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020277585	1	56	0.0	-71.11	418.65	11.32	-59.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020277662	1	59	0.0	-68.44	426.90	8.36	-60.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CSC=C2)CC1	REAL300020277705	1	53	0.0	-64.82	419.43	9.23	-55.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCC)CC1	REAL300020277792	1	56	0.0	-68.76	435.23	8.14	-60.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCC)CC1	REAL300020277793	1	53	0.0	-65.13	417.86	7.21	-57.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020277797	0	56	0.0	-68.61	420.51	9.56	-59.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020277797	1	56	0.0	-68.62	420.57	9.58	-59.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020277798	0	53	0.0	-67.65	398.93	8.77	-58.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020277798	1	53	0.0	-67.66	398.99	8.78	-58.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020277799	1	50	0.0	-67.39	385.87	8.58	-58.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020277800	1	47	0.0	-62.89	370.14	7.97	-54.92
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020277801	1	54	0.0	-71.29	409.46	10.34	-60.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020277849	0	58	0.0	-69.17	432.57	9.82	-59.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020277849	1	58	0.0	-69.59	444.85	9.97	-59.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020277849	1	58	0.0	-69.17	432.63	9.84	-59.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020277849	1	58	0.0	-69.59	444.91	9.98	-59.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020277850	0	55	0.0	-67.56	415.94	9.20	-58.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020277850	1	55	0.0	-70.36	413.07	9.46	-60.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020277850	1	55	0.0	-67.55	416.00	9.23	-58.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020277850	1	55	0.0	-70.41	413.13	9.49	-60.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020277913	0	55	0.0	-71.97	418.70	7.82	-64.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020277913	1	55	0.0	-72.01	418.76	7.84	-64.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020277914	0	52	0.0	-72.22	391.64	7.67	-64.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020277914	1	52	0.0	-72.23	391.72	7.70	-64.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020277966	0	55	0.0	-68.30	419.47	9.41	-58.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020277966	1	55	0.0	-68.31	419.52	9.43	-58.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020277967	0	52	0.0	-64.01	402.07	8.48	-55.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020277967	1	52	0.0	-64.01	402.13	8.51	-55.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020277970	1	57	0.0	-68.19	433.04	8.21	-59.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020277971	1	54	0.0	-68.42	407.48	7.82	-60.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020277972	1	56	0.0	-68.09	440.02	10.54	-57.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020277976	0	58	0.0	-66.82	425.85	9.64	-57.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020277976	1	58	0.0	-66.86	425.91	9.66	-57.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020277977	0	55	0.0	-65.48	409.94	8.53	-56.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020277977	1	55	0.0	-65.50	410.01	8.55	-56.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020277985	0	57	0.0	-69.37	426.37	8.08	-61.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020277985	1	57	0.0	-69.38	426.43	8.10	-61.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020277991	0	53	0.0	-66.07	408.73	9.27	-56.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020277992	0	50	0.0	-63.59	387.59	8.57	-55.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020277992	1	50	0.0	-63.54	387.53	8.54	-55.00
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020277995	0	62	0.0	-66.88	452.49	10.98	-55.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020277995	1	62	0.0	-66.88	452.56	10.99	-55.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020277996	0	59	0.0	-63.37	434.89	9.65	-53.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020277996	1	59	0.0	-63.39	434.95	9.67	-53.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020278048	0	53	0.0	-69.08	408.79	9.47	-59.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020278048	1	53	0.0	-69.10	408.84	9.49	-59.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020278049	0	50	0.0	-64.91	386.25	8.71	-56.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020278049	1	50	0.0	-64.90	386.19	8.69	-56.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020278075	1	59	0.0	-66.83	429.10	7.90	-58.93
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020278075	1	59	0.0	-67.58	448.95	8.33	-59.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020278076	1	56	0.0	-64.99	422.14	7.46	-57.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020278076	1	56	0.0	-66.70	427.75	7.29	-59.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020278077	1	57	0.0	-64.21	427.25	7.56	-56.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020278078	1	54	0.0	-67.30	378.18	5.83	-61.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020278110	0	61	0.0	-68.44	452.50	10.50	-57.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020278110	1	61	0.0	-68.80	450.42	10.24	-58.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020278110	1	61	0.0	-68.44	452.56	10.52	-57.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020278110	1	61	0.0	-68.77	450.48	10.25	-58.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020278111	0	58	0.0	-69.89	427.92	10.50	-59.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020278111	1	58	0.0	-68.48	428.76	9.80	-58.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020278111	1	58	0.0	-69.86	428.04	10.52	-59.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020278111	1	58	0.0	-68.49	428.82	9.82	-58.67
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020278124	0	61	0.0	-70.08	457.33	10.43	-59.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020278124	1	61	0.0	-70.15	457.38	10.45	-59.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020278125	0	58	0.0	-66.24	440.07	9.44	-56.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020278125	1	58	0.0	-66.22	440.12	9.47	-56.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020278136	0	60	0.0	-65.18	450.21	10.72	-54.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020278136	1	60	0.0	-68.06	419.20	9.51	-58.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020278136	1	60	0.0	-65.17	450.27	10.73	-54.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020278136	1	60	0.0	-68.11	419.28	9.52	-58.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020278137	0	57	0.0	-72.31	395.79	8.89	-63.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020278137	1	57	0.0	-74.35	390.52	8.97	-65.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020278137	1	57	0.0	-72.29	395.83	8.89	-63.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020278137	1	57	0.0	-74.43	390.57	8.98	-65.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020278151	0	62	0.0	-63.21	449.54	11.49	-51.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020278151	1	62	0.0	-63.15	449.69	11.51	-51.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020278152	0	62	0.0	-71.35	436.15	10.01	-61.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020278152	1	62	0.0	-63.74	444.71	10.94	-52.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020278152	1	62	0.0	-71.37	436.21	10.03	-61.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020278152	1	62	0.0	-63.72	444.75	10.95	-52.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020278156	0	53	0.0	-65.00	401.84	9.06	-55.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020278156	1	53	0.0	-68.90	380.37	7.90	-61.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020278156	1	53	0.0	-64.99	401.90	9.08	-55.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020278156	1	53	0.0	-68.95	380.44	7.91	-61.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020278157	0	50	0.0	-68.32	364.39	7.30	-61.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020278157	1	50	0.0	-63.12	381.77	8.24	-54.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020278157	1	50	0.0	-68.34	364.33	7.26	-61.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020278157	1	50	0.0	-63.15	381.71	8.21	-54.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020278189	0	59	0.0	-68.18	438.88	10.37	-57.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020278189	1	59	0.0	-68.18	438.94	10.39	-57.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020278190	0	56	0.0	-66.84	417.27	9.59	-57.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020278190	1	56	0.0	-66.90	417.33	9.61	-57.29
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020278198	1	57	0.0	-72.20	420.61	7.57	-64.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020278199	1	54	0.0	-70.68	408.72	7.49	-63.19
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020278209	0	59	0.0	-63.82	441.60	10.27	-53.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020278209	1	59	0.0	-63.83	441.66	10.29	-53.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020278210	0	56	0.0	-62.62	420.73	9.50	-53.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020278210	1	56	0.0	-62.60	420.78	9.53	-53.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020278256	1	57	0.0	-67.97	424.55	8.78	-59.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020278305	0	56	0.0	-64.12	420.24	9.48	-54.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020278305	1	56	0.0	-64.06	420.18	9.47	-54.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020278306	0	53	0.0	-65.02	392.51	9.31	-55.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020278306	1	53	0.0	-65.04	392.65	9.33	-55.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300020278309	0	56	0.0	-68.18	436.41	10.58	-57.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020278317	0	56	0.0	-67.93	428.57	10.97	-56.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020278317	1	56	0.0	-69.39	429.28	10.72	-58.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020278317	1	56	0.0	-67.94	428.69	10.98	-56.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020278317	1	56	0.0	-69.43	429.27	10.75	-58.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020278331	0	58	0.0	-66.11	433.76	9.93	-56.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020278331	1	58	0.0	-66.17	433.81	9.94	-56.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020278332	0	55	0.0	-71.35	394.29	8.08	-63.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020278332	1	55	0.0	-71.37	394.35	8.10	-63.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020278350	0	60	0.0	-69.35	436.39	10.65	-58.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020278350	1	60	0.0	-69.35	436.45	10.67	-58.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020278351	0	57	0.0	-64.57	420.27	10.02	-54.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020278351	1	57	0.0	-64.57	420.32	10.05	-54.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020278377	0	59	0.0	-62.36	436.16	10.55	-51.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020278377	1	59	0.0	-62.37	436.22	10.56	-51.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020278378	0	56	0.0	-61.99	419.58	9.75	-52.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020278378	1	56	0.0	-61.98	419.64	9.77	-52.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020278397	1	53	0.0	-70.86	429.41	10.07	-60.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020278398	1	50	0.0	-67.41	411.05	9.07	-58.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020278423	1	59	0.0	-67.36	443.58	8.33	-59.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020278423	1	59	0.0	-67.29	451.37	8.40	-58.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020278424	1	56	0.0	-65.49	422.15	7.56	-57.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020278424	1	56	0.0	-64.79	426.34	7.91	-56.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020278501	0	57	0.0	-74.88	436.02	8.15	-66.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020278501	1	57	0.0	-74.87	435.96	8.14	-66.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020278502	0	54	0.0	-69.48	408.89	7.27	-62.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020278502	1	54	0.0	-69.48	408.95	7.29	-62.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020278569	1	53	0.0	-70.86	426.10	10.12	-60.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020278570	1	50	0.0	-68.35	408.48	8.81	-59.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020278590	0	56	0.0	-62.11	421.34	10.18	-51.93
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020278590	1	56	0.0	-62.13	421.31	10.16	-51.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020278591	0	53	0.0	-61.86	402.39	8.80	-53.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020278591	1	53	0.0	-61.85	402.44	8.83	-53.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CCOC)C(CCC)C1	REAL300020278597	0	59	0.0	-66.54	426.95	7.53	-59.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CCOC)C(CCC)C1	REAL300020278597	1	59	0.0	-61.97	439.52	8.33	-53.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020278665	0	56	0.0	-68.67	436.10	10.92	-57.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020278665	1	56	0.0	-68.69	436.16	10.93	-57.76
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020278669	1	53	0.0	-68.67	413.38	7.16	-61.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020278670	1	50	0.0	-64.95	396.01	6.24	-58.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020278678	1	59	0.0	-68.77	455.51	8.88	-59.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020278679	1	56	0.0	-65.23	436.10	7.90	-57.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020278686	0	57	0.0	-70.71	430.31	7.99	-62.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020278686	1	57	0.0	-70.69	430.25	7.98	-62.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020278687	0	54	0.0	-65.76	407.04	6.72	-59.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020278687	1	54	0.0	-65.76	407.10	6.75	-59.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020278692	0	57	0.0	-71.18	433.01	7.92	-63.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020278692	1	57	0.0	-71.21	433.06	7.95	-63.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020278693	0	61	0.0	-71.84	457.35	10.85	-60.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020278693	1	61	0.0	-69.40	461.53	10.66	-58.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020278693	1	61	0.0	-71.84	457.41	10.87	-60.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020278693	1	61	0.0	-69.40	461.59	10.68	-58.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020278694	0	62	0.0	-72.53	442.67	11.07	-61.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020278694	1	62	0.0	-72.52	442.73	11.08	-61.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020278697	0	53	0.0	-68.98	430.25	10.06	-58.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020278697	1	53	0.0	-68.98	430.30	10.09	-58.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020278739	0	55	0.0	-64.06	408.91	8.72	-55.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020278739	1	55	0.0	-64.01	408.97	8.74	-55.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020278779	0	52	0.0	-68.71	378.12	7.53	-61.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020278779	1	52	0.0	-64.70	393.82	8.64	-56.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020278780	0	49	0.0	-62.78	375.94	7.74	-55.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020278780	1	49	0.0	-61.90	372.36	7.59	-54.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020278780	1	49	0.0	-62.77	375.89	7.72	-55.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020278780	1	49	0.0	-61.91	372.30	7.57	-54.34
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020278781	0	56	0.0	-74.67	411.04	9.51	-65.16
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020278781	1	56	0.0	-70.12	422.49	10.38	-59.74
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020278859	0	59	0.0	-67.55	438.97	10.39	-57.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020278859	1	59	0.0	-67.55	439.03	10.40	-57.15
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020278860	0	56	0.0	-62.82	420.12	9.36	-53.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020278860	1	56	0.0	-62.84	420.18	9.38	-53.46
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020278863	0	56	0.0	-67.33	422.06	9.83	-57.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020278863	1	56	0.0	-67.24	422.00	9.82	-57.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020278864	0	53	0.0	-64.21	402.81	9.11	-55.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020278864	1	53	0.0	-64.19	402.86	9.13	-55.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020278865	0	62	0.0	-70.70	461.00	11.30	-59.40
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020278865	1	62	0.0	-70.69	461.06	11.31	-59.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020278866	0	59	0.0	-66.90	443.73	10.32	-56.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020278866	1	59	0.0	-66.87	443.79	10.34	-56.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020278867	0	52	0.0	-66.13	397.51	8.55	-57.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020278868	0	49	0.0	-61.71	372.48	7.23	-54.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020278868	1	49	0.0	-61.74	372.42	7.20	-54.54
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020278869	0	56	0.0	-70.94	418.51	10.17	-60.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020278898	0	55	0.0	-65.51	409.94	9.08	-56.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020278898	1	55	0.0	-65.50	409.88	9.06	-56.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020278899	0	52	0.0	-61.37	392.28	8.10	-53.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020278899	1	52	0.0	-61.37	392.23	8.08	-53.29
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020278915	0	59	0.0	-68.79	420.54	9.58	-59.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020278915	1	59	0.0	-66.51	435.44	10.60	-55.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020278915	1	59	0.0	-68.80	420.60	9.60	-59.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020278915	1	59	0.0	-66.49	435.50	10.62	-55.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020278916	0	56	0.0	-56.99	416.47	9.12	-47.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020278916	1	56	0.0	-70.56	412.60	10.36	-60.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020278916	1	56	0.0	-57.00	416.53	9.15	-47.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020278916	1	56	0.0	-70.60	412.66	10.37	-60.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020278921	1	56	0.0	-71.93	439.67	10.95	-60.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020278922	1	53	0.0	-68.05	413.27	10.01	-58.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020278925	0	55	0.0	-64.78	408.26	9.25	-55.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020278925	1	55	0.0	-64.81	408.14	8.89	-55.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020278925	1	55	0.0	-64.73	408.20	9.23	-55.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020278925	1	55	0.0	-64.79	408.08	8.87	-55.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020278926	0	52	0.0	-66.62	378.93	8.77	-57.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020278926	1	52	0.0	-62.99	383.27	9.13	-53.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020278926	1	52	0.0	-66.68	378.80	8.77	-57.91
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020278926	1	52	0.0	-62.98	383.23	9.11	-53.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020278927	0	58	0.0	-64.59	421.34	9.65	-54.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020278927	1	58	0.0	-61.72	418.71	9.24	-52.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020278927	1	58	0.0	-64.58	421.40	9.66	-54.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020278927	1	58	0.0	-61.72	418.76	9.26	-52.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020278928	0	55	0.0	-62.29	385.87	8.51	-53.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020278928	1	55	0.0	-58.72	398.84	8.23	-50.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020278928	1	55	0.0	-62.28	385.93	8.54	-53.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020278928	1	55	0.0	-58.75	398.89	8.26	-50.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020278929	0	57	0.0	-69.95	412.32	8.56	-61.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020278929	1	57	0.0	-68.87	400.65	6.63	-62.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020278929	1	57	0.0	-69.98	412.38	8.58	-61.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020278929	1	57	0.0	-68.89	400.72	6.64	-62.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(COC)COC)CC1	REAL300020279028	1	57	0.0	-63.80	437.73	7.06	-56.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020279029	0	56	0.0	-64.86	432.42	10.74	-54.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020279029	1	56	0.0	-68.08	412.83	9.62	-58.46
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020279079	0	59	0.0	-64.61	437.94	8.19	-56.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020279080	0	56	0.0	-60.72	422.44	6.94	-53.78
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020279121	0	59	0.0	-61.86	438.04	8.06	-53.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020279121	1	59	0.0	-64.18	435.19	7.52	-56.66
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020279122	0	56	0.0	-62.39	411.03	7.71	-54.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020279122	1	56	0.0	-61.86	413.77	6.71	-55.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020279156	0	55	0.0	-65.37	422.92	9.14	-56.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020279156	1	55	0.0	-65.44	422.98	9.16	-56.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020279157	0	52	0.0	-62.86	380.80	8.14	-54.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020279157	1	52	0.0	-62.83	380.86	8.16	-54.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCOC)CC1	REAL300020279160	1	57	0.0	-66.43	442.98	6.56	-59.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020279166	1	56	0.0	-71.93	439.67	10.95	-60.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020279167	1	53	0.0	-68.05	413.27	10.01	-58.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020279237	1	54	0.0	-69.86	416.12	7.11	-62.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020279238	1	51	0.0	-68.28	389.94	6.48	-61.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020279484	0	59	0.0	-66.72	432.50	7.65	-59.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020279484	1	59	0.0	-66.68	432.57	7.65	-59.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020279485	0	56	0.0	-68.20	426.12	8.30	-59.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020279485	1	56	0.0	-68.20	426.18	8.31	-59.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020279541	0	58	0.0	-69.79	406.77	8.95	-60.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020279541	1	58	0.0	-69.80	406.83	8.97	-60.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020279542	0	55	0.0	-67.66	393.43	7.95	-59.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020279542	1	55	0.0	-67.69	393.48	7.98	-59.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020279547	0	59	0.0	-65.94	433.57	9.47	-56.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020279547	1	59	0.0	-65.95	433.62	9.48	-56.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020279548	0	56	0.0	-65.92	406.10	8.80	-57.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020279548	1	56	0.0	-65.94	406.15	8.83	-57.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020279553	0	62	0.0	-65.75	442.68	9.74	-56.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020279553	1	62	0.0	-65.79	442.73	9.76	-56.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020279554	0	59	0.0	-71.22	416.62	9.06	-62.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020279554	1	59	0.0	-71.30	416.64	9.09	-62.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020279563	0	59	0.0	-69.56	445.15	7.39	-62.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020279563	1	59	0.0	-69.58	445.21	7.41	-62.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020279566	0	57	0.0	-68.44	414.07	7.12	-61.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020279566	1	57	0.0	-68.44	414.13	7.14	-61.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020279594	0	56	0.0	-80.14	440.61	10.51	-69.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020279594	1	56	0.0	-80.16	440.57	10.49	-69.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020279595	0	53	0.0	-81.18	416.88	9.71	-71.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020279595	1	53	0.0	-81.17	416.82	9.68	-71.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020279641	0	53	0.0	-68.25	399.46	8.30	-59.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020279641	1	53	0.0	-72.99	376.14	7.49	-65.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020279641	1	53	0.0	-68.24	399.52	8.32	-59.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020279641	1	53	0.0	-72.99	376.22	7.52	-65.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020279642	0	50	0.0	-66.69	383.09	7.68	-59.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020279642	1	50	0.0	-66.62	386.07	7.80	-58.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020279642	1	50	0.0	-66.69	383.03	7.66	-59.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020279642	1	50	0.0	-66.61	386.01	7.77	-58.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020279647	0	58	0.0	-68.83	431.32	7.30	-61.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020279647	1	58	0.0	-68.87	431.44	7.32	-61.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020279652	0	55	0.0	-67.71	409.70	8.88	-58.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020279652	1	55	0.0	-66.37	404.66	8.31	-58.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020279652	1	55	0.0	-67.74	409.65	8.87	-58.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020279652	1	55	0.0	-66.37	404.60	8.29	-58.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020279653	0	52	0.0	-71.87	384.72	8.46	-63.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020279653	1	52	0.0	-68.99	378.98	8.52	-60.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020279653	1	52	0.0	-71.91	384.67	8.45	-63.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020279653	1	52	0.0	-68.96	378.93	8.50	-60.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020279684	0	61	0.0	-68.24	448.18	9.28	-58.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020279684	1	61	0.0	-68.24	448.23	9.29	-58.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020279685	1	54	0.0	-70.54	433.27	7.14	-63.40
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020279692	1	52	0.0	-47.77	399.18	7.36	-40.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020279693	1	49	0.0	-58.29	384.11	5.93	-52.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020279735	0	56	0.0	-64.19	420.92	10.39	-53.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020279738	0	62	0.0	-64.21	434.32	9.76	-54.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020279738	1	62	0.0	-64.22	434.38	9.79	-54.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020279739	0	52	0.0	-69.91	371.66	7.48	-62.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020279739	1	52	0.0	-66.65	383.49	8.88	-57.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020279740	0	49	0.0	-72.16	341.29	6.86	-65.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020279740	1	49	0.0	-67.68	360.05	8.21	-59.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020279740	1	49	0.0	-72.15	341.23	6.85	-65.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020279740	1	49	0.0	-67.71	360.00	8.20	-59.51
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020279741	0	56	0.0	-74.56	399.91	9.33	-65.23
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020279741	1	56	0.0	-70.37	412.31	10.82	-59.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020279792	0	62	0.0	-67.11	438.37	10.19	-56.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020279792	1	62	0.0	-67.07	438.43	10.20	-56.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020279793	0	59	0.0	-67.36	418.73	9.81	-57.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020279793	1	59	0.0	-67.37	418.77	9.83	-57.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020279873	0	59	0.0	-68.09	425.32	9.62	-58.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020279873	1	59	0.0	-68.09	425.37	9.64	-58.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020279874	0	56	0.0	-70.81	396.03	8.58	-62.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020279874	1	56	0.0	-70.89	396.10	8.59	-62.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020279930	0	53	0.0	-67.50	402.54	8.31	-59.19
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020279930	1	53	0.0	-68.83	403.95	8.83	-60.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020279930	1	53	0.0	-67.54	402.60	8.33	-59.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020279930	1	53	0.0	-68.86	404.00	8.84	-60.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020279931	0	50	0.0	-63.85	386.48	7.78	-56.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020279931	1	50	0.0	-69.84	382.30	8.20	-61.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020279931	1	50	0.0	-63.81	386.42	7.76	-56.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020279931	1	50	0.0	-69.81	382.24	8.18	-61.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020280065	0	55	0.0	-68.14	390.31	8.07	-60.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020280065	1	55	0.0	-62.68	398.90	8.92	-53.76
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020280065	1	55	0.0	-68.15	390.36	8.08	-60.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020280065	1	55	0.0	-62.68	398.95	8.93	-53.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020280066	0	52	0.0	-59.78	388.89	8.05	-51.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020280066	1	52	0.0	-65.22	381.91	8.51	-56.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020280066	1	52	0.0	-59.78	388.84	8.02	-51.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020280066	1	52	0.0	-65.19	381.85	8.50	-56.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020280145	0	56	0.0	-65.42	429.92	10.46	-54.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020280145	1	56	0.0	-65.95	435.70	10.62	-55.33
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020280175	0	59	0.0	-68.19	430.87	10.10	-58.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020280175	1	59	0.0	-68.17	430.93	10.12	-58.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020280176	0	56	0.0	-71.13	411.11	9.55	-61.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020280176	1	56	0.0	-71.17	411.17	9.56	-61.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020280193	0	60	0.0	-64.79	419.67	7.69	-57.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020280193	1	60	0.0	-65.02	420.60	7.16	-57.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020280193	1	60	0.0	-64.83	419.73	7.70	-57.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020280193	1	60	0.0	-65.02	420.66	7.19	-57.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020280229	1	56	0.0	-69.78	427.10	7.58	-62.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020280230	1	53	0.0	-70.55	413.25	6.74	-63.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020280244	1	54	0.0	-67.69	425.46	10.59	-57.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020280245	1	51	0.0	-70.12	398.23	10.20	-59.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020280251	0	61	0.0	-61.32	439.41	9.74	-51.58
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020280251	1	61	0.0	-61.34	439.47	9.76	-51.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020280252	0	58	0.0	-62.67	427.21	8.36	-54.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020280252	1	58	0.0	-62.74	427.26	8.39	-54.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020280307	0	60	0.0	-70.55	435.14	10.25	-60.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020280307	1	60	0.0	-70.62	435.20	10.26	-60.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020280308	0	57	0.0	-71.53	411.12	10.16	-61.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020280308	1	57	0.0	-72.00	411.41	10.18	-61.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020280415	0	55	0.0	-73.95	408.10	7.22	-66.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020280415	1	55	0.0	-73.96	408.16	7.24	-66.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)C1	REAL300020280420	1	57	0.0	-63.60	422.46	7.28	-56.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)C1	REAL300020280421	1	54	0.0	-64.90	406.18	6.42	-58.48
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280711	0	53	0.0	-69.44	390.90	8.33	-61.11
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280711	1	53	0.0	-68.52	399.35	9.20	-59.32
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280711	1	53	0.0	-69.45	390.96	8.34	-61.11
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280711	1	53	0.0	-68.48	399.42	9.22	-59.26
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280712	0	50	0.0	-68.81	368.52	7.61	-61.20
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280712	1	50	0.0	-64.94	382.29	8.49	-56.45
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280712	1	50	0.0	-68.81	368.47	7.59	-61.22
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280712	1	50	0.0	-64.96	382.24	8.47	-56.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020280716	0	57	0.0	-66.74	415.87	9.55	-57.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020280716	1	57	0.0	-66.73	415.93	9.56	-57.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020280717	0	54	0.0	-70.10	394.88	8.73	-61.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020280717	1	54	0.0	-70.11	394.93	8.76	-61.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020280750	0	53	0.0	-64.31	404.28	9.04	-55.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020280750	1	53	0.0	-62.46	407.22	9.13	-53.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020280751	0	50	0.0	-59.37	386.26	8.38	-50.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020280751	1	50	0.0	-66.64	375.56	8.92	-57.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020280751	1	50	0.0	-59.36	386.21	8.36	-51.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020280751	1	50	0.0	-66.64	375.51	8.90	-57.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020280819	1	57	0.0	-70.40	446.70	5.03	-65.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020280820	1	54	0.0	-66.49	427.44	4.02	-62.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020280847	0	55	0.0	-63.23	432.02	8.32	-54.91
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020280847	1	55	0.0	-63.21	431.97	8.31	-54.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020280848	0	52	0.0	-63.51	410.39	7.24	-56.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020280848	1	52	0.0	-63.42	410.33	7.22	-56.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020281043	1	57	0.0	-62.32	420.55	7.97	-54.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020281044	1	56	0.0	-69.02	441.89	10.56	-58.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020281062	0	58	0.0	-67.93	428.23	9.44	-58.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020281062	1	58	0.0	-67.35	425.07	9.64	-57.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020281062	1	58	0.0	-67.96	428.29	9.46	-58.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020281062	1	58	0.0	-67.38	425.13	9.65	-57.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020281063	0	55	0.0	-66.15	402.77	8.57	-57.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020281063	1	55	0.0	-66.03	410.38	8.48	-57.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020281063	1	55	0.0	-66.20	402.83	8.59	-57.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020281063	1	55	0.0	-66.00	410.44	8.51	-57.49
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020281426	0	59	0.0	-65.77	441.99	9.28	-56.49
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020281426	1	59	0.0	-63.43	445.98	8.50	-54.93
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020281426	1	59	0.0	-65.76	442.05	9.30	-56.46
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020281426	1	59	0.0	-63.43	446.04	8.51	-54.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020281427	0	56	0.0	-67.06	414.15	8.61	-58.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020281427	1	56	0.0	-68.64	427.63	8.08	-60.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020281427	1	56	0.0	-67.07	414.20	8.64	-58.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020281427	1	56	0.0	-68.66	427.68	8.11	-60.55
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020281501	0	61	0.0	-62.99	458.73	7.89	-55.10
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020281501	1	61	0.0	-63.02	458.79	7.91	-55.11
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020281556	0	61	0.0	-66.46	441.72	8.73	-57.73
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020281556	1	61	0.0	-64.63	450.87	8.71	-55.92
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020281556	1	61	0.0	-66.44	441.78	8.74	-57.70
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020281556	1	61	0.0	-64.63	450.93	8.72	-55.91
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020281557	0	58	0.0	-65.62	413.24	8.04	-57.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020281557	1	58	0.0	-65.89	425.29	7.97	-57.92
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020281557	1	58	0.0	-65.56	413.29	8.04	-57.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020281557	1	58	0.0	-65.88	425.34	7.99	-57.89
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCC)CC1	REAL300020281696	1	59	0.0	-67.80	458.37	6.91	-60.89
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020281700	0	59	0.0	-69.38	446.86	8.35	-61.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020281700	1	59	0.0	-69.37	446.93	8.36	-61.01
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020281701	1	56	0.0	-65.09	437.81	8.32	-56.77
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020281702	1	53	0.0	-64.18	411.07	7.66	-56.52
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020281726	0	61	0.0	-67.40	461.98	8.87	-58.53
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020281726	1	61	0.0	-69.52	459.13	8.64	-60.88
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020281726	1	61	0.0	-67.36	462.04	8.90	-58.46
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020281726	1	61	0.0	-69.53	459.18	8.66	-60.87
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020281754	0	61	0.0	-71.37	464.94	7.14	-64.23
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020281754	1	61	0.0	-71.39	465.00	7.15	-64.24
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020281755	0	58	0.0	-72.99	443.31	6.57	-66.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020281755	1	58	0.0	-73.06	443.36	6.58	-66.48
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020281780	0	61	0.0	-66.35	468.77	8.88	-57.47
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020281780	1	61	0.0	-66.37	468.83	8.89	-57.48
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020281781	0	58	0.0	-66.79	442.74	8.21	-58.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020281781	1	58	0.0	-66.71	442.68	8.20	-58.51
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020281785	0	61	0.0	-65.19	451.28	8.38	-56.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020281785	1	61	0.0	-65.13	451.33	8.41	-56.72
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020281793	0	59	0.0	-66.48	449.56	8.74	-57.74
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020281794	0	56	0.0	-65.76	432.59	8.03	-57.73
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020281794	1	56	0.0	-65.74	432.65	8.05	-57.69
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020281827	0	59	0.0	-67.22	461.34	8.99	-58.23
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020281827	1	59	0.0	-67.23	461.40	9.00	-58.23
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020281828	0	56	0.0	-64.12	439.83	8.20	-55.92
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020281828	1	56	0.0	-64.11	439.88	8.23	-55.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020281877	0	59	0.0	-65.22	449.54	8.34	-56.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020281877	1	59	0.0	-64.46	453.28	8.47	-55.99
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020281877	1	59	0.0	-65.22	449.60	8.35	-56.87
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020281877	1	59	0.0	-64.52	453.34	8.48	-56.04
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020281878	0	56	0.0	-70.19	410.80	7.37	-62.82
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020281878	1	56	0.0	-61.75	431.85	7.71	-54.04
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020281878	1	56	0.0	-70.16	410.74	7.36	-62.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020281878	1	56	0.0	-61.72	431.79	7.68	-54.04
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020281958	0	59	0.0	-68.00	439.47	8.47	-59.53
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020281958	1	59	0.0	-68.03	439.53	8.50	-59.53
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020281965	0	61	0.0	-67.31	463.64	8.77	-58.54
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020281965	1	61	0.0	-67.33	463.70	8.79	-58.54
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020282086	0	59	0.0	-60.85	451.27	8.50	-52.35
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020282086	1	59	0.0	-60.86	451.33	8.52	-52.34
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020282109	1	59	0.0	-67.40	458.50	6.54	-60.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020282110	1	56	0.0	-67.67	436.59	5.94	-61.73
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020282140	0	61	0.0	-62.30	458.87	8.18	-54.12
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020282140	1	61	0.0	-62.33	458.93	8.19	-54.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020282141	0	58	0.0	-62.87	432.95	7.48	-55.39
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020282141	1	58	0.0	-62.90	433.00	7.49	-55.41
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020282160	0	58	0.0	-65.15	438.72	8.21	-56.94
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020282160	1	58	0.0	-64.46	446.00	8.15	-56.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020282161	0	55	0.0	-64.38	412.69	7.45	-56.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020282161	1	55	0.0	-64.75	421.34	7.18	-57.57
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020282161	1	55	0.0	-64.43	412.77	7.47	-56.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020282161	1	55	0.0	-64.75	421.40	7.20	-57.55
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020282204	0	59	0.0	-66.19	447.87	8.60	-57.59
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020282204	1	59	0.0	-66.24	447.93	8.61	-57.63
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020282205	0	58	0.0	-65.05	442.94	7.85	-57.20
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020282206	0	55	0.0	-65.34	420.97	7.26	-58.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020282206	1	55	0.0	-65.34	420.92	7.24	-58.10
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020282228	0	61	0.0	-64.24	460.61	8.59	-55.65
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020282228	1	61	0.0	-64.23	460.67	8.60	-55.63
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020282229	0	58	0.0	-64.52	435.47	7.81	-56.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020282229	1	58	0.0	-64.54	435.52	7.83	-56.71
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020282241	0	61	0.0	-64.37	454.98	8.57	-55.80
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020282241	1	61	0.0	-65.14	452.58	8.48	-56.66
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020282241	1	61	0.0	-64.47	455.04	8.59	-55.88
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020282241	1	61	0.0	-65.12	452.63	8.50	-56.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020282242	0	58	0.0	-65.81	433.33	7.96	-57.85
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020282242	1	58	0.0	-61.31	416.66	7.59	-53.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020282242	1	58	0.0	-65.84	433.37	7.98	-57.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020282242	1	58	0.0	-61.37	416.72	7.62	-53.75
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020282243	0	61	0.0	-65.47	432.47	8.58	-56.89
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020282243	1	61	0.0	-60.88	436.58	7.74	-53.14
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020282243	1	61	0.0	-65.47	432.53	8.60	-56.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020282243	1	61	0.0	-60.96	436.63	7.76	-53.20
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020282360	0	61	0.0	-63.45	447.45	7.93	-55.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020282360	1	61	0.0	-63.48	447.51	7.94	-55.54
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020282367	0	61	0.0	-64.78	469.07	8.84	-55.94
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020282367	1	61	0.0	-64.77	469.01	8.82	-55.95
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020282368	0	58	0.0	-60.54	447.23	8.06	-52.48
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020282368	1	58	0.0	-60.53	447.29	8.08	-52.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020282404	1	57	0.0	-69.76	437.80	6.05	-63.71
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020282547	0	61	0.0	-67.04	438.36	7.58	-59.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020282547	1	61	0.0	-67.09	438.42	7.61	-59.48
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020282590	0	59	0.0	-73.23	436.62	7.62	-65.61
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020282590	1	59	0.0	-68.81	447.10	7.98	-60.83
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020282590	1	59	0.0	-73.23	436.67	7.63	-65.60
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020282590	1	59	0.0	-68.80	447.16	8.00	-60.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020282591	0	56	0.0	-65.93	434.03	7.53	-58.40
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020282591	1	56	0.0	-66.32	429.40	7.31	-59.01
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020282591	1	56	0.0	-65.95	434.09	7.56	-58.39
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020282591	1	56	0.0	-66.34	429.45	7.34	-59.00
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020282594	0	61	0.0	-70.16	445.16	8.36	-61.80
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020282594	1	61	0.0	-66.19	457.46	8.19	-58.00
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020282594	1	61	0.0	-70.15	445.22	8.37	-61.78
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020282594	1	61	0.0	-66.18	457.51	8.20	-57.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020282595	0	58	0.0	-63.03	439.47	7.62	-55.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020282595	1	58	0.0	-66.30	428.91	7.50	-58.80
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020282595	1	58	0.0	-63.01	439.52	7.65	-55.36
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020282595	1	58	0.0	-66.28	428.97	7.53	-58.75
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020282611	1	55	0.0	-57.81	428.81	5.54	-52.27
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020282634	0	58	0.0	-64.51	440.26	7.89	-56.62
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020282634	1	58	0.0	-72.03	420.38	7.27	-64.76
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020282635	0	55	0.0	-64.64	414.81	7.13	-57.51
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020282635	1	55	0.0	-67.75	403.83	6.62	-61.13
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020282635	1	55	0.0	-64.67	414.86	7.15	-57.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020282635	1	55	0.0	-67.73	403.89	6.65	-61.08
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020282703	0	59	0.0	-70.74	440.68	8.25	-62.49
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020282703	1	59	0.0	-71.20	443.91	7.84	-63.36
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020282703	1	59	0.0	-70.74	440.73	8.26	-62.48
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020282703	1	59	0.0	-71.16	443.97	7.85	-63.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020282704	0	56	0.0	-66.07	424.07	7.61	-58.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020282704	1	56	0.0	-75.08	421.78	7.30	-67.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020282704	1	56	0.0	-66.07	424.13	7.63	-58.44
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020282704	1	56	0.0	-75.12	421.83	7.33	-67.79
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020282770	0	61	0.0	-64.24	453.60	8.58	-55.66
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020282770	1	61	0.0	-62.61	457.32	8.71	-53.90
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020282770	1	61	0.0	-64.29	453.66	8.59	-55.70
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020282770	1	61	0.0	-62.66	457.38	8.72	-53.94
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020282771	0	58	0.0	-62.58	432.66	7.76	-54.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020282771	1	58	0.0	-58.87	436.52	7.71	-51.16
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020282771	1	58	0.0	-62.62	432.71	7.78	-54.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020282771	1	58	0.0	-58.88	436.58	7.74	-51.14
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020282859	1	59	0.0	-68.54	460.27	6.44	-62.10
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020283074	0	59	0.0	-66.83	452.21	8.43	-58.40
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020283074	1	59	0.0	-68.71	448.79	8.99	-59.72
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020283075	0	56	0.0	-64.10	434.38	7.77	-56.33
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020283075	1	56	0.0	-69.51	427.44	8.36	-61.15
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020283075	1	56	0.0	-64.15	434.44	7.79	-56.36
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020283075	1	56	0.0	-69.50	427.50	8.38	-61.12
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020283096	1	59	0.0	-64.77	446.26	8.58	-56.19
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020283096	1	59	0.0	-62.38	454.88	8.81	-53.57
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020283097	0	56	0.0	-65.09	433.81	8.09	-57.00
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020283097	1	56	0.0	-58.90	433.32	8.01	-50.89
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020283097	1	56	0.0	-65.10	433.86	8.11	-56.99
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020283097	1	56	0.0	-58.91	433.37	8.04	-50.87
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020283232	0	61	0.0	-64.92	455.62	8.15	-56.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020283232	1	61	0.0	-64.95	455.85	8.16	-56.79
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020283232	1	61	0.0	-64.93	455.68	8.17	-56.76
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020283232	1	61	0.0	-65.00	455.91	8.18	-56.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020283345	0	58	0.0	-70.67	422.55	10.39	-60.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020283345	1	58	0.0	-69.08	434.63	10.87	-58.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020283345	1	58	0.0	-70.73	422.61	10.41	-60.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020283345	1	58	0.0	-69.06	434.69	10.90	-58.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020283518	0	59	0.0	-69.90	423.93	7.34	-62.56
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020283518	1	59	0.0	-67.37	434.20	6.63	-60.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020283518	1	59	0.0	-69.95	423.96	7.35	-62.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020283518	1	59	0.0	-67.38	434.25	6.66	-60.72
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020283682	0	55	0.0	-65.72	401.39	9.48	-56.24
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020283682	1	55	0.0	-62.17	407.07	8.81	-53.36
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020283682	1	55	0.0	-65.72	401.45	9.50	-56.22
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020283682	1	55	0.0	-62.21	407.13	8.82	-53.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020283683	0	52	0.0	-61.31	387.69	8.43	-52.88
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020283683	1	52	0.0	-66.18	367.30	7.67	-58.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020283683	1	52	0.0	-61.32	387.72	8.46	-52.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020283683	1	52	0.0	-66.16	367.38	7.67	-58.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020283684	0	61	0.0	-66.63	444.73	10.50	-56.13
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020283684	1	61	0.0	-62.86	428.43	9.89	-52.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020283684	1	61	0.0	-66.60	444.67	10.49	-56.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020283684	1	61	0.0	-62.84	428.38	9.87	-52.97
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020283685	0	58	0.0	-66.23	414.79	9.98	-56.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020283685	1	58	0.0	-67.02	397.55	8.76	-58.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020283685	1	58	0.0	-66.22	414.84	10.00	-56.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020283685	1	58	0.0	-67.00	397.59	8.76	-58.24
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283818	0	60	0.0	-63.93	443.77	9.15	-54.78
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283818	1	60	0.0	-63.95	443.83	9.16	-54.79
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283819	0	57	0.0	-62.08	413.93	8.88	-53.20
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283819	1	57	0.0	-62.09	413.98	8.90	-53.19
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020283924	0	57	0.0	-65.04	407.55	8.90	-56.14
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020283924	1	57	0.0	-66.37	402.26	9.53	-56.84
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020283924	1	57	0.0	-65.08	407.61	8.92	-56.16
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020283924	1	57	0.0	-66.38	402.32	9.54	-56.84
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020283925	0	54	0.0	-66.82	381.55	6.39	-60.43
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020283925	1	54	0.0	-63.61	381.82	8.06	-55.55
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020283925	1	54	0.0	-66.82	381.61	6.42	-60.40
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020283925	1	54	0.0	-63.61	381.87	8.07	-55.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020283945	1	59	0.0	-66.89	436.90	7.98	-58.91
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020283954	0	59	0.0	-78.82	406.71	5.98	-72.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020283954	1	59	0.0	-66.15	423.18	7.33	-58.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020283954	1	59	0.0	-78.85	406.74	6.00	-72.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020283954	1	59	0.0	-66.13	423.24	7.36	-58.77
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)CC1	REAL300020283999	0	60	0.0	-68.62	430.66	7.14	-61.48
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)CC1	REAL300020283999	1	60	0.0	-68.65	430.71	7.15	-61.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020284015	0	58	0.0	-68.06	433.11	10.17	-57.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020284015	1	58	0.0	-72.25	426.31	8.88	-63.37
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020284026	0	58	0.0	-68.97	433.26	10.48	-58.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020284026	1	58	0.0	-68.72	443.56	9.58	-59.14
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020284103	1	61	0.0	-66.98	432.05	7.87	-59.11
CCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284226	1	58	0.0	-66.31	441.17	7.94	-58.37
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284227	1	55	0.0	-63.60	419.89	7.13	-56.47
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020284231	0	58	0.0	-67.36	429.31	9.28	-58.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020284231	1	58	0.0	-67.35	429.37	9.30	-58.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020284232	0	55	0.0	-65.93	401.95	8.65	-57.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020284232	1	55	0.0	-65.94	402.00	8.67	-57.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020284233	1	52	0.0	-66.18	388.63	8.50	-57.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020284234	1	49	0.0	-62.14	377.88	7.68	-54.46
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020284235	1	56	0.0	-69.32	426.42	10.67	-58.65
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284282	0	60	0.0	-68.18	438.91	9.70	-58.48
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284282	1	60	0.0	-69.79	436.19	9.47	-60.32
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284282	1	60	0.0	-68.16	438.96	9.72	-58.44
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284282	1	60	0.0	-69.80	436.25	9.49	-60.31
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284283	0	57	0.0	-67.04	422.39	9.13	-57.91
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284283	1	57	0.0	-72.48	413.45	9.13	-63.35
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284283	1	57	0.0	-67.04	422.44	9.16	-57.88
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284283	1	57	0.0	-72.52	413.52	9.14	-63.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020284344	0	57	0.0	-70.72	426.03	7.50	-63.22
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020284344	1	57	0.0	-70.75	426.09	7.51	-63.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020284345	0	54	0.0	-70.35	404.95	6.75	-63.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020284345	1	54	0.0	-70.39	405.01	6.75	-63.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020284392	0	57	0.0	-66.76	425.73	9.11	-57.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020284392	1	57	0.0	-66.73	425.79	9.12	-57.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020284393	0	54	0.0	-63.52	398.44	8.47	-55.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020284393	1	54	0.0	-63.52	398.38	8.44	-55.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020284396	1	59	0.0	-67.91	436.60	8.15	-59.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020284397	1	56	0.0	-68.97	411.75	7.52	-61.45
CC1=CC=CC(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020284398	1	58	0.0	-68.69	446.60	10.53	-58.16
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284401	0	60	0.0	-65.75	435.27	9.23	-56.52
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284401	1	60	0.0	-65.77	435.32	9.24	-56.53
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284402	0	57	0.0	-65.06	408.55	8.56	-56.50
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284402	1	57	0.0	-65.08	408.61	8.59	-56.49
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020284410	0	59	0.0	-69.89	437.90	7.85	-62.04
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020284410	1	59	0.0	-69.84	437.95	7.88	-61.96
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020284416	0	55	0.0	-64.71	412.69	9.13	-55.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020284417	0	52	0.0	-61.49	388.66	8.32	-53.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020284417	1	52	0.0	-61.51	388.72	8.34	-53.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020284420	0	61	0.0	-62.80	432.41	9.77	-53.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020284420	1	61	0.0	-62.75	432.47	9.79	-52.96
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020284472	0	55	0.0	-67.69	420.75	9.21	-58.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020284472	1	55	0.0	-67.71	420.81	9.23	-58.48
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020284473	0	52	0.0	-65.42	397.72	8.46	-56.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020284473	1	52	0.0	-65.45	397.78	8.50	-56.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020284499	1	61	0.0	-65.95	446.25	8.05	-57.90
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020284499	1	61	0.0	-66.38	452.61	7.95	-58.43
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020284500	1	58	0.0	-61.12	431.21	7.17	-53.95
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020284500	1	58	0.0	-63.31	426.27	7.36	-55.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020284501	1	59	0.0	-64.21	432.53	7.37	-56.84
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020284502	1	56	0.0	-59.11	408.14	6.73	-52.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020284533	0	63	0.0	-68.58	456.72	9.97	-58.61
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020284533	1	63	0.0	-68.29	458.46	10.31	-57.98
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020284533	1	63	0.0	-68.61	456.77	9.98	-58.63
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020284533	1	63	0.0	-68.33	458.51	10.32	-58.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020284534	0	60	0.0	-67.80	439.31	9.57	-58.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020284534	1	60	0.0	-72.33	431.92	9.89	-62.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020284534	1	60	0.0	-67.81	439.37	9.59	-58.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020284534	1	60	0.0	-72.41	431.96	9.89	-62.52
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020284546	0	63	0.0	-68.52	462.93	10.09	-58.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020284546	1	63	0.0	-68.50	462.99	10.10	-58.40
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020284547	0	60	0.0	-66.24	442.95	9.33	-56.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020284547	1	60	0.0	-66.24	443.01	9.35	-56.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020284557	0	62	0.0	-65.68	453.59	10.07	-55.61
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020284557	1	62	0.0	-70.41	422.81	9.11	-61.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020284557	1	62	0.0	-65.70	453.65	10.08	-55.62
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020284557	1	62	0.0	-70.43	422.86	9.13	-61.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020284558	0	59	0.0	-73.59	404.45	8.87	-64.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020284558	1	59	0.0	-71.62	403.82	9.07	-62.55
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020284558	1	59	0.0	-73.54	404.50	8.89	-64.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020284558	1	59	0.0	-71.63	403.89	9.09	-62.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020284575	0	55	0.0	-65.27	408.50	8.54	-56.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020284575	1	55	0.0	-69.42	388.00	7.81	-61.61
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020284575	1	55	0.0	-65.26	408.56	8.55	-56.71
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020284575	1	55	0.0	-69.46	388.06	7.82	-61.64
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020284576	0	52	0.0	-65.54	371.64	7.20	-58.34
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020284576	1	52	0.0	-61.09	383.99	8.07	-53.02
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020284576	1	52	0.0	-65.52	371.59	7.18	-58.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020284576	1	52	0.0	-61.11	383.94	8.05	-53.06
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020284607	0	61	0.0	-67.03	445.91	10.09	-56.94
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020284607	1	61	0.0	-66.99	445.97	10.10	-56.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020284608	0	58	0.0	-64.90	418.61	9.38	-55.52
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020284608	1	58	0.0	-64.89	418.67	9.40	-55.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020284616	1	59	0.0	-70.52	436.28	8.49	-62.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020284617	1	56	0.0	-72.32	407.61	7.22	-65.10
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020284627	0	61	0.0	-66.35	445.87	10.28	-56.07
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020284627	1	61	0.0	-66.33	445.93	10.30	-56.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020284628	0	58	0.0	-61.89	424.31	9.52	-52.37
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020284628	1	58	0.0	-61.91	424.37	9.52	-52.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020284672	1	59	0.0	-69.43	429.44	8.11	-61.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020284720	0	58	0.0	-63.22	420.72	9.37	-53.85
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020284720	1	58	0.0	-63.21	420.78	9.39	-53.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020284721	0	55	0.0	-66.91	395.13	8.72	-58.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020284721	1	55	0.0	-66.97	395.17	8.73	-58.24
CC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284724	0	58	0.0	-66.45	436.04	10.66	-55.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020284731	0	58	0.0	-68.33	435.80	10.46	-57.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020284731	1	58	0.0	-71.34	430.33	10.45	-60.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020284731	1	58	0.0	-68.33	435.86	10.48	-57.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020284731	1	58	0.0	-71.36	430.37	10.46	-60.90
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284744	0	60	0.0	-65.96	440.31	9.87	-56.09
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284744	1	60	0.0	-65.96	440.36	9.89	-56.07
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284745	0	57	0.0	-71.16	405.53	8.78	-62.38
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284745	1	57	0.0	-71.14	405.56	8.80	-62.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020284763	0	62	0.0	-67.71	437.31	10.36	-57.35
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020284763	1	62	0.0	-67.67	437.25	10.35	-57.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020284764	0	59	0.0	-62.91	425.49	9.84	-53.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020284764	1	59	0.0	-62.98	425.55	9.86	-53.12
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020284790	0	61	0.0	-61.95	445.03	10.23	-51.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020284790	1	61	0.0	-61.97	445.08	10.25	-51.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020284791	0	58	0.0	-61.14	423.29	9.40	-51.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020284791	1	58	0.0	-61.19	423.34	9.43	-51.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020284810	1	52	0.0	-67.42	411.81	9.28	-58.14
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020284833	1	61	0.0	-66.23	460.92	8.11	-58.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020284833	1	61	0.0	-67.22	446.42	8.89	-58.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020284834	1	58	0.0	-61.82	438.60	7.31	-54.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020284834	1	58	0.0	-66.92	432.23	7.33	-59.59
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020284908	0	59	0.0	-73.33	437.23	7.95	-65.38
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020284908	1	59	0.0	-73.31	437.28	7.96	-65.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020284909	0	56	0.0	-69.86	415.48	7.13	-62.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020284909	1	56	0.0	-69.84	415.53	7.15	-62.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020284974	1	52	0.0	-68.89	415.54	8.86	-60.03
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020284994	0	58	0.0	-61.58	430.73	9.51	-52.07
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020284994	1	58	0.0	-61.58	430.78	9.53	-52.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020284995	0	55	0.0	-60.27	403.07	8.65	-51.62
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020284995	1	55	0.0	-60.26	403.11	8.68	-51.58
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC[N@@H+]1CCOC	REAL300020285000	0	61	0.0	-70.22	429.02	7.41	-62.81
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC[N@H+]1CCOC	REAL300020285000	1	61	0.0	-60.82	444.81	8.22	-52.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020285067	0	58	0.0	-69.05	447.62	10.69	-58.36
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020285067	1	58	0.0	-69.04	447.68	10.71	-58.33
COCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285071	1	55	0.0	-65.94	420.42	6.60	-59.34
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285072	1	52	0.0	-64.77	398.99	5.81	-58.96
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020285080	1	61	0.0	-66.41	461.44	8.69	-57.72
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020285081	1	58	0.0	-64.93	441.12	7.52	-57.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020285088	0	59	0.0	-69.07	435.86	7.63	-61.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020285088	1	59	0.0	-69.06	435.91	7.65	-61.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020285089	0	56	0.0	-66.70	415.87	6.87	-59.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020285089	1	56	0.0	-66.72	415.93	6.90	-59.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020285094	0	59	0.0	-71.01	432.02	7.94	-63.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020285094	1	59	0.0	-70.98	432.07	7.96	-63.02
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285095	0	63	0.0	-71.21	464.96	10.51	-60.70
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285095	1	63	0.0	-69.65	459.83	10.68	-58.97
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285095	1	63	0.0	-71.21	465.02	10.53	-60.68
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285095	1	63	0.0	-69.67	459.89	10.70	-58.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020285136	0	57	0.0	-61.38	416.10	8.37	-53.01
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020285136	1	57	0.0	-61.37	416.16	8.38	-52.99
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020285137	0	54	0.0	-60.18	395.25	7.65	-52.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020285137	1	54	0.0	-60.17	395.31	7.67	-52.50
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020285176	0	54	0.0	-70.59	376.93	7.43	-63.16
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020285176	1	54	0.0	-64.72	401.57	8.39	-56.33
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020285177	0	51	0.0	-62.10	383.01	7.42	-54.68
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020285177	1	51	0.0	-61.30	380.68	7.52	-53.78
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020285177	1	51	0.0	-62.07	382.95	7.40	-54.67
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020285177	1	51	0.0	-61.30	380.62	7.50	-53.80
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1C	REAL300020285178	0	58	0.0	-73.66	418.89	9.41	-64.25
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1C	REAL300020285178	1	58	0.0	-69.81	424.06	10.22	-59.59
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020285252	0	61	0.0	-64.70	445.50	10.01	-54.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020285252	1	61	0.0	-64.69	445.44	10.00	-54.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020285253	0	58	0.0	-65.72	417.29	9.36	-56.36
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020285253	1	58	0.0	-65.72	417.34	9.37	-56.35
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020285256	0	58	0.0	-65.68	428.54	9.56	-56.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020285256	1	58	0.0	-65.70	428.59	9.58	-56.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020285257	0	55	0.0	-62.06	403.94	8.88	-53.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020285257	1	55	0.0	-62.04	403.99	8.91	-53.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020285258	0	61	0.0	-65.65	440.64	10.30	-55.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020285258	1	61	0.0	-65.67	440.70	10.33	-55.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020285259	0	54	0.0	-64.77	398.78	8.36	-56.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020285260	0	51	0.0	-61.17	377.04	7.55	-53.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020285260	1	51	0.0	-61.15	376.99	7.52	-53.63
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020285261	0	58	0.0	-69.99	420.66	10.04	-59.95
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285290	0	57	0.0	-63.44	417.37	8.92	-54.52
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285290	1	57	0.0	-63.39	417.43	8.93	-54.46
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285291	0	54	0.0	-60.48	392.48	8.12	-52.36
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285291	1	54	0.0	-60.50	392.53	8.15	-52.35
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020285307	0	61	0.0	-69.07	431.42	9.59	-59.48
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020285307	1	61	0.0	-62.67	442.23	10.30	-52.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020285307	1	61	0.0	-69.06	431.47	9.60	-59.46
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020285307	1	61	0.0	-62.70	442.28	10.31	-52.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020285308	0	58	0.0	-66.60	417.50	9.37	-57.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020285308	1	58	0.0	-64.50	426.49	9.57	-54.93
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020285308	1	58	0.0	-66.59	417.56	9.38	-57.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020285308	1	58	0.0	-64.47	426.56	9.59	-54.88
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020285313	1	58	0.0	-70.39	440.70	10.74	-59.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020285314	1	55	0.0	-67.28	419.18	9.95	-57.33
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020285317	0	57	0.0	-63.67	416.01	8.99	-54.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020285317	1	57	0.0	-64.07	414.07	8.70	-55.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020285317	1	57	0.0	-63.68	416.07	9.00	-54.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020285317	1	57	0.0	-64.07	414.13	8.72	-55.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020285318	0	54	0.0	-60.60	389.66	8.26	-52.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020285318	1	54	0.0	-57.71	386.44	7.82	-49.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020285318	1	54	0.0	-60.64	389.72	8.28	-52.36
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020285318	1	54	0.0	-57.72	386.50	7.84	-49.88
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020285319	0	60	0.0	-64.31	420.19	9.54	-54.77
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020285319	1	60	0.0	-61.66	418.59	8.80	-52.86
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020285319	1	60	0.0	-64.25	420.25	9.54	-54.71
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020285319	1	60	0.0	-61.72	418.65	8.82	-52.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020285320	0	57	0.0	-62.43	392.64	7.83	-54.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020285320	1	57	0.0	-62.18	391.41	7.77	-54.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020285320	1	57	0.0	-62.42	392.70	7.86	-54.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020285320	1	57	0.0	-62.18	391.47	7.79	-54.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020285321	0	59	0.0	-66.30	425.66	7.80	-58.50
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020285321	1	59	0.0	-66.45	412.75	6.59	-59.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020285321	1	59	0.0	-66.29	425.71	7.83	-58.46
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020285321	1	59	0.0	-66.40	412.81	6.62	-59.78
COCC(COC)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285419	1	59	0.0	-63.66	438.32	7.17	-56.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020285420	0	58	0.0	-64.64	438.68	10.44	-54.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020285420	1	58	0.0	-63.15	441.41	10.26	-52.89
COCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285466	0	61	0.0	-64.39	448.44	7.65	-56.74
COCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285467	0	58	0.0	-61.21	426.91	6.87	-54.34
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285508	0	61	0.0	-61.32	438.50	7.84	-53.48
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285508	1	61	0.0	-64.19	436.70	7.37	-56.82
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285509	0	58	0.0	-58.34	429.41	7.08	-51.26
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285509	1	58	0.0	-66.59	411.99	6.87	-59.72
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285528	0	60	0.0	-63.07	425.29	9.05	-54.02
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285528	1	60	0.0	-63.07	425.24	9.03	-54.04
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285529	0	57	0.0	-60.34	409.49	8.12	-52.22
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285529	1	57	0.0	-60.31	409.53	8.14	-52.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020285543	0	57	0.0	-63.71	428.61	9.00	-54.71
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020285543	1	57	0.0	-63.71	428.56	8.98	-54.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020285544	0	54	0.0	-64.04	393.74	8.51	-55.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020285544	1	54	0.0	-64.04	393.78	8.53	-55.51
COCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285547	1	59	0.0	-65.09	453.53	6.39	-58.70
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020285552	1	58	0.0	-70.39	440.70	10.74	-59.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020285553	1	55	0.0	-67.28	419.18	9.95	-57.33
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020285620	1	56	0.0	-69.92	422.52	7.01	-62.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020285621	1	53	0.0	-66.03	393.54	6.37	-59.66
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020285861	0	61	0.0	-66.33	445.41	7.72	-58.61
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020285861	1	61	0.0	-66.35	445.47	7.73	-58.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020285862	0	58	0.0	-64.65	441.25	7.60	-57.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020285862	1	58	0.0	-64.67	441.31	7.63	-57.04
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285916	0	60	0.0	-69.69	410.22	8.47	-61.22
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285916	1	60	0.0	-69.63	410.28	8.48	-61.15
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285917	0	57	0.0	-67.60	399.68	7.60	-60.00
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285917	1	57	0.0	-67.56	399.74	7.62	-59.94
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020285922	0	61	0.0	-64.60	435.60	9.30	-55.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020285922	1	61	0.0	-64.60	435.65	9.32	-55.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020285923	0	58	0.0	-63.92	413.82	8.50	-55.42
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020285923	1	58	0.0	-63.96	413.88	8.52	-55.44
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285927	0	61	0.0	-63.48	423.46	8.75	-54.73
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285927	1	61	0.0	-63.48	423.52	8.77	-54.71
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285936	0	61	0.0	-68.84	450.44	7.44	-61.40
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285936	1	61	0.0	-68.85	450.49	7.47	-61.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020285939	0	59	0.0	-65.89	420.64	6.77	-59.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020285967	0	58	0.0	-80.01	446.13	10.14	-69.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020285967	1	58	0.0	-79.98	446.07	10.12	-69.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020285968	0	55	0.0	-80.02	421.21	9.44	-70.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020285968	1	55	0.0	-80.02	421.15	9.41	-70.61
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020286012	0	55	0.0	-72.79	385.90	7.50	-65.29
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020286012	1	55	0.0	-69.19	401.58	8.29	-60.90
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020286012	1	55	0.0	-72.81	385.95	7.52	-65.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020286012	1	55	0.0	-69.21	401.64	8.31	-60.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020286013	0	52	0.0	-66.13	394.29	7.73	-58.40
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020286013	1	52	0.0	-66.18	386.71	7.50	-58.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020286013	1	52	0.0	-66.12	394.34	7.76	-58.36
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020286013	1	52	0.0	-66.17	386.77	7.53	-58.64
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020286018	0	60	0.0	-69.06	437.85	7.04	-62.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020286018	1	60	0.0	-69.07	437.91	7.05	-62.02
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020286023	0	57	0.0	-68.45	406.20	8.50	-59.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020286023	1	57	0.0	-68.57	408.63	9.20	-59.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020286023	1	57	0.0	-68.44	406.26	8.52	-59.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020286023	1	57	0.0	-68.57	408.68	9.21	-59.36
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020286024	0	54	0.0	-62.95	400.54	7.85	-55.10
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020286024	1	54	0.0	-70.58	382.19	7.91	-62.67
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020286024	1	54	0.0	-62.95	400.61	7.88	-55.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020286024	1	54	0.0	-70.66	381.89	7.94	-62.72
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286052	0	63	0.0	-66.21	452.33	9.13	-57.08
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286052	1	63	0.0	-66.20	452.39	9.16	-57.04
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020286053	1	56	0.0	-69.37	430.67	7.17	-62.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020286060	1	54	0.0	-47.23	404.54	7.31	-39.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020286061	1	51	0.0	-59.59	389.04	5.76	-53.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020286103	0	58	0.0	-62.77	434.11	10.58	-52.19
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020286106	0	54	0.0	-64.92	400.42	8.10	-56.82
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020286106	1	54	0.0	-71.66	375.08	7.34	-64.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020286107	0	51	0.0	-61.31	378.87	7.29	-54.02
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020286107	1	51	0.0	-73.40	348.98	6.82	-66.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020286107	1	51	0.0	-61.35	378.93	7.32	-54.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020286107	1	51	0.0	-73.41	349.03	6.84	-66.57
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020286108	0	58	0.0	-70.57	422.37	10.04	-60.53
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020286108	1	58	0.0	-74.79	412.77	9.35	-65.44
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020286157	0	61	0.0	-66.76	426.86	9.43	-57.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020286157	1	61	0.0	-66.79	426.91	9.46	-57.33
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286236	0	61	0.0	-66.72	430.36	9.40	-57.32
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286236	1	61	0.0	-66.73	430.42	9.42	-57.31
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286237	0	58	0.0	-70.76	394.73	8.35	-62.41
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286237	1	58	0.0	-70.81	394.75	8.35	-62.46
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020286288	0	55	0.0	-68.64	399.82	8.36	-60.28
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020286288	1	55	0.0	-68.50	407.68	8.86	-59.64
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020286288	1	55	0.0	-68.72	399.87	8.38	-60.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020286288	1	55	0.0	-68.49	407.73	8.87	-59.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020286289	0	52	0.0	-67.52	362.81	7.20	-60.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020286289	1	52	0.0	-63.67	392.85	7.06	-56.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020286289	1	52	0.0	-67.50	362.86	7.19	-60.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020286289	1	52	0.0	-63.67	392.90	7.09	-56.58
CC[N@@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1(C)C	REAL300020286417	0	57	0.0	-68.71	391.05	7.90	-60.81
CC[N@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1(C)C	REAL300020286417	1	57	0.0	-63.07	412.77	8.66	-54.41
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1(C)C	REAL300020286417	1	57	0.0	-68.70	391.11	7.92	-60.78
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1(C)C	REAL300020286417	1	57	0.0	-63.10	412.83	8.67	-54.43
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1(C)C	REAL300020286418	0	54	0.0	-59.26	395.87	7.93	-51.33
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1(C)C	REAL300020286418	1	54	0.0	-58.98	390.46	8.13	-50.85
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1(C)C	REAL300020286418	1	54	0.0	-59.24	395.93	7.95	-51.29
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1(C)C	REAL300020286418	1	54	0.0	-59.00	390.54	8.15	-50.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020286493	0	58	0.0	-68.78	429.55	10.79	-57.99
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020286493	1	58	0.0	-63.64	441.49	10.26	-53.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020286523	0	61	0.0	-68.69	438.45	9.78	-58.91
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020286523	1	61	0.0	-68.70	438.52	9.80	-58.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020286524	0	58	0.0	-73.02	414.51	9.20	-63.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020286524	1	58	0.0	-72.99	414.58	9.22	-63.77
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC[N@H+](CC)CC1	REAL300020286541	0	62	0.0	-59.34	431.76	6.78	-52.56
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC[N@@H+](CC)CC1	REAL300020286541	1	62	0.0	-67.30	399.44	9.37	-57.93
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC[N@H+](CC)CC1	REAL300020286541	1	62	0.0	-59.35	431.82	6.80	-52.55
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC[N@@H+](CC)CC1	REAL300020286541	1	62	0.0	-67.30	399.50	9.37	-57.93
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020286577	1	58	0.0	-68.62	436.32	7.27	-61.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020286578	1	55	0.0	-69.33	417.63	6.62	-62.71
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020286592	1	56	0.0	-66.70	427.59	10.42	-56.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020286593	1	53	0.0	-66.28	406.09	9.64	-56.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020286599	0	63	0.0	-60.36	445.74	9.54	-50.82
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020286599	1	63	0.0	-60.35	445.80	9.56	-50.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020286600	0	60	0.0	-60.29	429.12	8.37	-51.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020286600	1	60	0.0	-60.32	429.19	8.40	-51.92
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020286654	0	62	0.0	-69.72	436.62	10.02	-59.70
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020286654	1	62	0.0	-69.71	436.68	10.04	-59.67
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020286655	0	59	0.0	-72.79	416.02	9.73	-63.06
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020286655	1	59	0.0	-72.85	416.08	9.74	-63.11
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286759	0	57	0.0	-71.50	412.94	7.38	-64.12
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286759	1	57	0.0	-71.36	412.87	7.37	-63.99
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287038	0	55	0.0	-66.39	404.85	8.94	-57.45
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287038	1	55	0.0	-68.08	407.24	9.25	-58.83
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287039	0	52	0.0	-64.80	375.90	7.20	-57.60
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287039	1	52	0.0	-62.73	390.70	8.18	-54.55
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287039	1	52	0.0	-64.77	375.95	7.22	-57.55
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287039	1	52	0.0	-62.78	390.75	8.20	-54.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020287043	0	59	0.0	-67.62	418.71	8.79	-58.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020287043	1	59	0.0	-67.60	418.77	8.81	-58.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020287044	0	56	0.0	-70.73	399.86	8.38	-62.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020287044	1	56	0.0	-70.80	399.91	8.39	-62.41
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020287076	1	55	0.0	-62.64	412.44	8.97	-53.67
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020287076	1	55	0.0	-62.93	414.25	9.03	-53.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020287077	0	52	0.0	-58.78	390.68	8.20	-50.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020287077	1	52	0.0	-59.40	390.64	8.20	-51.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020287077	1	52	0.0	-58.77	390.74	8.23	-50.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020287077	1	52	0.0	-59.40	390.70	8.22	-51.18
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020287144	1	59	0.0	-67.83	453.73	4.45	-63.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020287145	1	56	0.0	-66.71	432.22	3.66	-63.05
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020287171	0	57	0.0	-63.11	441.37	7.71	-55.40
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020287171	1	57	0.0	-63.10	441.32	7.70	-55.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020287172	0	54	0.0	-63.00	420.96	7.00	-56.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020287172	1	54	0.0	-63.00	420.91	6.97	-56.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020287355	1	59	0.0	-61.38	421.32	7.61	-53.77
CC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020287356	1	58	0.0	-68.64	446.60	10.53	-58.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020287373	0	60	0.0	-67.85	425.75	9.17	-58.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020287373	1	60	0.0	-65.65	434.81	9.11	-56.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020287373	1	60	0.0	-67.86	425.81	9.18	-58.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020287373	1	60	0.0	-65.66	434.87	9.13	-56.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020287374	0	57	0.0	-70.54	402.68	8.64	-61.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020287374	1	57	0.0	-66.07	414.34	8.34	-57.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020287374	1	57	0.0	-70.51	402.71	8.64	-61.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020287374	1	57	0.0	-66.07	414.40	8.36	-57.71
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)=C1	REAL300020287685	0	53	0.0	-68.17	416.15	10.30	-57.87
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[N@H+](C3CC3)CC2)=C1	REAL300020287685	1	53	0.0	-65.01	399.49	9.02	-55.99
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)=C1	REAL300020287685	1	53	0.0	-68.18	416.21	10.30	-57.88
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[N@H+](C3CC3)CC2)=C1	REAL300020287685	1	53	0.0	-65.03	399.58	9.02	-56.01
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)=C1	REAL300020287686	0	50	0.0	-63.97	404.01	9.54	-54.43
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[N@H+](C3CC3)CC2)=C1	REAL300020287686	1	50	0.0	-62.62	377.18	8.61	-54.01
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)=C1	REAL300020287686	1	50	0.0	-63.99	403.96	9.51	-54.48
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[N@H+](C3CC3)CC2)=C1	REAL300020287686	1	50	0.0	-62.61	377.14	8.61	-54.00
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1C	REAL300020287782	0	52	0.0	-67.49	388.34	7.49	-60.00
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1C	REAL300020287782	1	52	0.0	-63.12	400.47	8.64	-54.48
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1C	REAL300020287782	1	52	0.0	-67.50	388.28	7.47	-60.03
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1C	REAL300020287782	1	52	0.0	-63.12	400.41	8.62	-54.50
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC([NH+]3CCCC3)CC2)=C1	REAL300020287885	0	53	0.0	-65.71	421.67	9.54	-56.17
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC([NH+]3CCCC3)CC2)=C1	REAL300020287885	1	53	0.0	-65.70	421.61	9.52	-56.18
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CC3)CC2)=C1	REAL300020287886	1	50	0.0	-68.08	414.06	9.54	-58.54
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CC3)CC2)=C1	REAL300020287887	1	47	0.0	-63.89	392.55	8.76	-55.13
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287919	0	52	0.0	-68.83	418.64	7.77	-61.06
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287919	1	52	0.0	-68.78	418.59	7.75	-61.03
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287937	0	52	0.0	-63.22	418.77	9.40	-53.82
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287937	1	52	0.0	-63.17	418.71	9.37	-53.80
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CCC3)CC2)=C1	REAL300020287947	0	53	0.0	-69.80	428.76	10.24	-59.56
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CCC3)CC2)=C1	REAL300020287948	0	50	0.0	-68.48	396.08	9.71	-58.77
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](C3CCC3)CC2)=C1	REAL300020287948	1	50	0.0	-68.44	396.07	9.70	-58.74
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[NH+](CC3CC3)CC2)=C1	REAL300020287972	0	53	0.0	-71.62	433.86	10.33	-61.29
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[NH+](CC3CC3)CC2)=C1	REAL300020287972	1	53	0.0	-71.66	433.92	10.35	-61.31
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](CC3CC3)CC2)=C1	REAL300020287973	0	50	0.0	-68.06	406.13	9.67	-58.39
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](CC3CC3)CC2)=C1	REAL300020287973	1	50	0.0	-68.07	406.08	9.64	-58.43
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=C1	REAL300020288007	0	53	0.0	-66.27	420.77	9.93	-56.34
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[N@H+]3CCCCC3C2)=C1	REAL300020288007	1	53	0.0	-64.25	424.74	9.76	-54.49
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=C1	REAL300020288007	1	53	0.0	-66.29	420.83	9.95	-56.34
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@H+]3CCCCC3C2)=C1	REAL300020288007	1	53	0.0	-64.25	424.79	9.78	-54.47
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=C1	REAL300020288008	0	50	0.0	-67.44	392.73	9.36	-58.08
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@H+]3CCCCC3C2)=C1	REAL300020288008	1	50	0.0	-69.81	376.81	8.40	-61.41
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=C1	REAL300020288008	1	50	0.0	-67.44	392.69	9.33	-58.11
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@H+]3CCCCC3C2)=C1	REAL300020288008	1	50	0.0	-69.82	376.77	8.39	-61.43
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC([NH+]3CCCCC3)C2)=C1	REAL300020288068	0	53	0.0	-63.08	418.90	9.85	-53.23
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC([NH+]3CCCCC3)C2)=C1	REAL300020288068	1	53	0.0	-63.07	418.84	9.82	-53.25
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC([NH+]3CCCC3)C2)=C1	REAL300020288164	0	53	0.0	-61.59	422.98	9.78	-51.81
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC([NH+]3CCCC3)C2)=C1	REAL300020288164	1	53	0.0	-61.58	422.92	9.76	-51.82
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288176	1	50	0.0	-63.80	411.80	7.10	-56.70
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288195	0	52	0.0	-62.59	403.66	8.85	-53.74
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288195	1	52	0.0	-62.63	403.61	8.84	-53.79
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1C	REAL300020288207	0	52	0.0	-70.11	407.82	9.25	-60.86
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1C	REAL300020288207	1	52	0.0	-66.43	410.19	9.26	-57.17
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1C	REAL300020288208	0	49	0.0	-67.59	385.71	8.86	-58.73
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1C	REAL300020288208	1	49	0.0	-66.63	382.84	8.97	-57.66
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1C	REAL300020288208	1	49	0.0	-67.53	385.70	8.84	-58.69
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1C	REAL300020288208	1	49	0.0	-66.60	382.79	8.94	-57.66
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CCCC3)CC2)=C1	REAL300020288240	0	53	0.0	-61.85	423.53	9.83	-52.02
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](C3CCCC3)CC2)=C1	REAL300020288240	1	53	0.0	-61.84	423.47	9.81	-52.03
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288241	0	52	0.0	-68.31	415.22	9.08	-59.23
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288242	0	49	0.0	-64.69	387.42	8.40	-56.29
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288242	1	49	0.0	-64.73	387.36	8.37	-56.36
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288262	0	52	0.0	-64.16	405.67	9.20	-54.96
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288262	1	52	0.0	-64.17	405.61	9.18	-54.99
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288268	0	52	0.0	-66.99	396.98	9.62	-57.37
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288268	1	52	0.0	-62.16	407.53	9.27	-52.89
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288268	1	52	0.0	-66.96	396.94	9.60	-57.36
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288268	1	52	0.0	-62.13	407.47	9.25	-52.88
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288359	0	52	0.0	-63.13	412.11	9.67	-53.46
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288359	1	52	0.0	-63.19	411.82	9.67	-53.52
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3=CC=CS3)CCC21	REAL300020288522	0	53	0.0	-72.90	417.15	9.64	-63.26
C[N@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3=CC=CS3)CCC21	REAL300020288522	1	53	0.0	-72.09	398.79	8.48	-63.61
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3=CC=CS3)CCC21	REAL300020288522	1	53	0.0	-72.91	417.21	9.65	-63.26
C[N@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3=CC=CS3)CCC21	REAL300020288522	1	53	0.0	-72.06	398.84	8.49	-63.57
C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)CCC21	REAL300020288523	0	50	0.0	-66.52	400.65	8.64	-57.88
C[N@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)CCC21	REAL300020288523	1	50	0.0	-74.62	373.67	8.01	-66.61
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)CCC21	REAL300020288523	1	50	0.0	-66.55	400.59	8.61	-57.94
C[N@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)CCC21	REAL300020288523	1	50	0.0	-74.78	373.59	7.98	-66.80
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC[N@@H+]1C	REAL300020288526	0	52	0.0	-62.70	410.32	8.87	-53.83
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC[N@H+]1C	REAL300020288526	1	52	0.0	-69.27	397.85	9.00	-60.27
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC[N@@H+]1C	REAL300020288526	1	52	0.0	-62.72	410.26	8.85	-53.87
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC[N@H+]1C	REAL300020288526	1	52	0.0	-69.28	397.78	8.98	-60.30
C[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1(C)C	REAL300020288555	0	52	0.0	-69.55	407.82	9.39	-60.16
C[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1(C)C	REAL300020288555	1	52	0.0	-69.76	389.35	8.30	-61.46
C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1(C)C	REAL300020288556	0	49	0.0	-63.72	388.57	8.37	-55.35
C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1(C)C	REAL300020288556	1	49	0.0	-61.34	387.80	8.32	-53.02
C[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1(C)C	REAL300020288556	1	49	0.0	-63.74	388.51	8.35	-55.39
C[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1(C)C	REAL300020288556	1	49	0.0	-61.32	387.75	8.29	-53.03
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288608	0	53	0.0	-69.46	416.05	9.09	-60.37
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288608	1	53	0.0	-65.89	419.33	9.15	-56.74
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288608	1	53	0.0	-69.41	416.11	9.11	-60.30
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288608	1	53	0.0	-65.88	419.39	9.17	-56.71
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288609	0	50	0.0	-63.55	397.75	8.43	-55.12
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288609	1	50	0.0	-72.66	399.36	9.14	-63.52
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288609	1	50	0.0	-63.56	397.70	8.41	-55.15
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288609	1	50	0.0	-72.70	399.31	9.11	-63.59
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1(C)C	REAL300020288655	0	52	0.0	-59.05	407.88	9.22	-49.83
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1(C)C	REAL300020288655	1	52	0.0	-65.65	397.15	9.38	-56.27
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1(C)C	REAL300020288655	1	52	0.0	-59.02	407.83	9.19	-49.83
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1(C)C	REAL300020288655	1	52	0.0	-65.57	397.10	9.36	-56.21
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288877	0	53	0.0	-68.74	418.20	10.28	-58.46
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288877	1	53	0.0	-68.09	402.60	8.87	-59.22
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288878	0	50	0.0	-67.81	399.55	9.78	-58.03
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288878	1	50	0.0	-65.13	384.70	8.21	-56.92
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288878	1	50	0.0	-67.84	399.48	9.77	-58.07
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288878	1	50	0.0	-65.11	384.65	8.19	-56.92
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC[N@@H+]1C1CC1	REAL300020288894	1	53	0.0	-62.43	430.64	10.10	-52.33
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC[N@H+]1C1CC1	REAL300020288894	1	53	0.0	-68.71	415.94	10.09	-58.62
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC[N@@H+]1C1CC1	REAL300020288895	1	50	0.0	-63.67	404.16	9.51	-54.16
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC[N@H+]1C1CC1	REAL300020288895	1	50	0.0	-62.64	399.59	9.48	-53.16
C(CC1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289234	0	57	0.0	-61.88	420.56	8.65	-53.23
C(CC1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289234	1	57	0.0	-65.57	425.07	8.51	-57.06
C(CC1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289234	1	57	0.0	-61.93	420.62	8.66	-53.27
C(CC1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289234	1	57	0.0	-65.61	425.13	8.52	-57.09
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CCOC1	REAL300020289235	0	54	0.0	-60.39	397.19	7.78	-52.61
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CCOC1	REAL300020289235	1	54	0.0	-62.25	409.57	7.67	-54.58
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CCOC1	REAL300020289235	1	54	0.0	-60.42	397.25	7.78	-52.64
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CCOC1	REAL300020289235	1	54	0.0	-62.14	409.62	7.69	-54.45
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289310	0	59	0.0	-66.11	428.79	7.56	-58.55
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289310	1	59	0.0	-66.13	428.85	7.59	-58.54
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020289370	0	59	0.0	-75.97	419.57	6.16	-69.81
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020289370	1	59	0.0	-60.98	426.01	7.84	-53.14
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020289370	1	59	0.0	-75.96	419.63	6.17	-69.79
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020289370	1	59	0.0	-60.95	426.07	7.86	-53.09
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020289371	0	56	0.0	-65.09	404.43	7.22	-57.87
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020289371	1	56	0.0	-65.51	397.46	7.77	-57.74
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020289371	1	56	0.0	-65.13	404.50	7.23	-57.90
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020289371	1	56	0.0	-65.57	397.52	7.80	-57.77
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289519	1	57	0.0	-67.27	429.54	6.04	-61.23
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1CC1CCOC1	REAL300020289523	0	57	0.0	-65.86	429.14	8.12	-57.74
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1CC1CCOC1	REAL300020289523	1	57	0.0	-65.85	429.18	8.14	-57.71
C(CC1=NN=C(N2CC[NH+](C3CC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289524	1	54	0.0	-70.63	400.18	7.07	-63.56
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CC3)CC2)N1CC1CCOC1	REAL300020289525	1	51	0.0	-74.43	378.82	6.98	-67.45
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289550	0	59	0.0	-67.25	437.47	7.85	-59.40
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289550	1	59	0.0	-69.99	435.79	7.88	-62.11
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289550	1	59	0.0	-67.25	437.52	7.87	-59.38
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289550	1	59	0.0	-70.03	435.84	7.90	-62.13
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289578	0	59	0.0	-73.99	437.19	6.46	-67.53
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289578	1	59	0.0	-74.02	437.24	6.47	-67.55
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289579	0	56	0.0	-71.61	415.01	5.72	-65.89
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289579	1	56	0.0	-71.63	415.07	5.75	-65.88
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289604	0	59	0.0	-71.07	436.08	8.07	-63.00
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289604	1	59	0.0	-71.10	436.14	8.09	-63.01
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289605	0	56	0.0	-66.14	414.42	7.32	-58.82
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289605	1	56	0.0	-66.15	414.36	7.30	-58.85
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289609	0	59	0.0	-77.03	416.92	7.76	-69.27
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289609	1	59	0.0	-77.05	416.94	7.78	-69.27
C(CC1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289617	0	57	0.0	-70.78	424.30	7.91	-62.87
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CCOC1	REAL300020289618	0	54	0.0	-63.73	405.76	7.18	-56.55
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CCOC1	REAL300020289618	1	54	0.0	-63.74	405.81	7.21	-56.53
C(CC1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289653	0	57	0.0	-69.11	433.79	8.75	-60.36
C(CC1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289653	1	57	0.0	-69.09	433.85	8.77	-60.32
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CCOC1	REAL300020289654	0	54	0.0	-77.48	401.39	7.71	-69.77
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CCOC1	REAL300020289654	1	54	0.0	-77.60	401.36	7.72	-69.88
C(CC1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289708	0	57	0.0	-67.39	425.37	8.10	-59.29
C(CC1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289708	1	57	0.0	-74.30	409.07	6.90	-67.40
C(CC1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289708	1	57	0.0	-67.41	425.43	8.14	-59.27
C(CC1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289708	1	57	0.0	-74.26	409.13	6.91	-67.35
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CCOC1	REAL300020289709	0	54	0.0	-67.47	399.44	7.47	-60.00
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CCOC1	REAL300020289709	1	54	0.0	-79.40	380.74	6.33	-73.07
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CCOC1	REAL300020289709	1	54	0.0	-67.47	399.40	7.45	-60.02
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CCOC1	REAL300020289709	1	54	0.0	-79.43	380.68	6.33	-73.10
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1CC1CCOC1	REAL300020289792	0	57	0.0	-71.98	408.80	7.89	-64.09
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1CC1CCOC1	REAL300020289792	1	57	0.0	-71.96	408.83	7.89	-64.07
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289799	0	59	0.0	-75.40	417.47	6.78	-68.62
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289799	1	59	0.0	-75.35	417.53	6.80	-68.55
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1CC1CCOC1	REAL300020289923	0	57	0.0	-58.30	421.21	8.24	-50.06
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1CC1CCOC1	REAL300020289923	1	57	0.0	-58.32	421.28	8.27	-50.05
COCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289953	1	57	0.0	-71.42	429.69	5.78	-65.64
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289954	1	54	0.0	-67.25	408.19	5.01	-62.24
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289986	0	59	0.0	-68.64	425.60	7.51	-61.13
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289986	1	59	0.0	-68.59	425.66	7.53	-61.06
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289987	0	56	0.0	-58.98	414.82	6.98	-52.00
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289987	1	56	0.0	-59.03	414.88	7.01	-52.02
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020290006	0	56	0.0	-75.31	402.18	6.47	-68.84
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020290006	1	56	0.0	-69.90	409.81	7.21	-62.69
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020290007	0	53	0.0	-58.23	397.51	6.66	-51.57
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020290007	1	53	0.0	-65.85	386.33	6.42	-59.43
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020290007	1	53	0.0	-58.20	397.46	6.64	-51.56
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020290007	1	53	0.0	-65.85	386.29	6.40	-59.45
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1CC1CCOC1	REAL300020290053	0	57	0.0	-65.05	420.47	7.77	-57.28
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1CC1CCOC1	REAL300020290053	1	57	0.0	-65.02	420.53	7.80	-57.22
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290054	0	56	0.0	-68.73	414.10	7.22	-61.51
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290055	0	53	0.0	-61.29	398.63	6.55	-54.74
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290055	1	53	0.0	-61.22	398.57	6.53	-54.69
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290077	0	59	0.0	-68.42	428.66	7.79	-60.63
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290077	1	59	0.0	-68.50	428.71	7.80	-60.70
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290078	0	56	0.0	-74.26	399.68	7.32	-66.94
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290078	1	56	0.0	-74.26	399.74	7.33	-66.93
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290090	0	59	0.0	-66.43	426.86	8.65	-57.78
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290090	1	59	0.0	-72.89	410.71	6.57	-66.32
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290090	1	59	0.0	-66.43	426.92	8.67	-57.76
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290090	1	59	0.0	-72.90	410.77	6.60	-66.30
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290091	0	56	0.0	-63.15	400.24	8.39	-54.76
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290091	1	56	0.0	-65.50	395.32	6.00	-59.50
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290091	1	56	0.0	-63.15	400.30	8.41	-54.74
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290091	1	56	0.0	-65.45	395.38	6.03	-59.42
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290092	0	59	0.0	-77.17	405.53	6.88	-70.29
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290092	1	59	0.0	-58.17	424.59	7.32	-50.85
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290092	1	59	0.0	-77.19	405.56	6.90	-70.29
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290092	1	59	0.0	-58.13	424.64	7.35	-50.78
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290211	0	59	0.0	-59.16	429.05	7.45	-51.71
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290211	1	59	0.0	-59.19	429.11	7.48	-51.71
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290218	0	59	0.0	-61.47	435.50	8.15	-53.32
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290218	1	59	0.0	-61.43	435.44	8.13	-53.30
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290219	0	56	0.0	-65.38	414.70	7.28	-58.10
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290219	1	56	0.0	-65.31	414.76	7.31	-58.00
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCOC3)CC2)N1CC1CCOC1	REAL300020290256	1	55	0.0	-80.15	403.09	5.50	-74.65
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290411	0	59	0.0	-71.02	409.66	7.58	-63.44
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290411	1	59	0.0	-71.02	409.72	7.59	-63.43
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCC21	REAL300020290458	0	57	0.0	-65.45	427.08	8.23	-57.22
C[N@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCC21	REAL300020290458	1	57	0.0	-72.81	422.60	7.21	-65.60
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCC21	REAL300020290458	1	57	0.0	-65.48	427.14	8.24	-57.24
C[N@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCC21	REAL300020290458	1	57	0.0	-72.82	422.66	7.23	-65.59
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC21	REAL300020290459	0	54	0.0	-82.65	382.53	6.25	-76.40
C[N@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC21	REAL300020290459	1	54	0.0	-77.94	397.10	7.07	-70.87
C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC21	REAL300020290459	1	54	0.0	-82.75	382.57	6.27	-76.48
C[N@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC21	REAL300020290459	1	54	0.0	-77.91	397.08	7.08	-70.83
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC[N@@H+]1C	REAL300020290462	0	59	0.0	-72.34	424.85	7.61	-64.73
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC[N@H+]1C	REAL300020290462	1	59	0.0	-73.79	419.36	7.16	-66.63
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC[N@@H+]1C	REAL300020290462	1	59	0.0	-72.38	424.90	7.62	-64.76
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC[N@H+]1C	REAL300020290462	1	59	0.0	-73.79	419.41	7.17	-66.62
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC[N@@H+]1C	REAL300020290463	0	56	0.0	-69.35	407.84	7.15	-62.20
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC[N@H+]1C	REAL300020290463	1	56	0.0	-67.14	403.37	6.50	-60.64
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC[N@@H+]1C	REAL300020290463	1	56	0.0	-69.30	407.90	7.17	-62.13
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC[N@H+]1C	REAL300020290463	1	56	0.0	-67.11	403.43	6.53	-60.58
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2=CC=C[NH+]=C21	REAL300020290479	1	53	0.0	-62.95	387.59	4.78	-58.17
C[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290504	0	56	0.0	-76.91	396.90	6.44	-70.47
C[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290504	1	56	0.0	-76.89	394.68	6.27	-70.62
C[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290505	0	53	0.0	-81.43	366.23	5.62	-75.81
C[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290505	1	53	0.0	-81.35	367.03	5.64	-75.71
C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290505	1	53	0.0	-81.47	366.26	5.64	-75.83
C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290505	1	53	0.0	-81.34	367.06	5.64	-75.70
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290577	0	57	0.0	-83.88	399.92	5.90	-77.98
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290577	1	57	0.0	-61.73	422.52	7.31	-54.42
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290577	1	57	0.0	-83.89	399.98	5.91	-77.98
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290577	1	57	0.0	-61.72	422.58	7.32	-54.40
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290578	0	54	0.0	-67.23	398.27	6.11	-61.12
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290578	1	54	0.0	-64.16	402.43	7.43	-56.73
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290578	1	54	0.0	-67.23	398.33	6.13	-61.10
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290578	1	54	0.0	-64.18	402.48	7.46	-56.72
CC[N@@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290647	0	59	0.0	-60.52	423.90	7.75	-52.77
CC[N@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290647	1	59	0.0	-68.94	420.81	7.58	-61.36
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290647	1	59	0.0	-60.48	423.96	7.76	-52.72
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290647	1	59	0.0	-68.95	420.86	7.59	-61.36
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290648	0	56	0.0	-63.43	403.31	6.98	-56.45
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290648	1	56	0.0	-78.55	384.89	6.26	-72.29
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290648	1	56	0.0	-63.46	403.37	6.99	-56.47
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290648	1	56	0.0	-78.53	384.92	6.27	-72.26
CN(CCC[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290736	1	57	0.0	-75.89	424.71	5.63	-70.26
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290745	1	55	0.0	-67.78	424.93	8.57	-59.21
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290969	0	57	0.0	-72.90	423.84	8.06	-64.84
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290969	1	57	0.0	-67.57	426.79	8.29	-59.28
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290970	0	54	0.0	-65.08	406.35	7.84	-57.24
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290970	1	54	0.0	-68.80	405.01	6.88	-61.92
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290970	1	54	0.0	-65.09	406.44	7.87	-57.22
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290970	1	54	0.0	-68.75	405.06	6.90	-61.85
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=N[N-]N=N4)N2CC2CCOC2)C3)C1	REAL300020290973	0	58	0.0	-64.95	417.03	7.08	-57.87
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=NN=N[N-]4)N2CC2CCOC2)C3)C1	REAL300020290973	1	58	0.0	-64.93	417.08	7.11	-57.82
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC[N@@H+]1C1CC1	REAL300020290993	1	57	0.0	-69.19	423.68	7.65	-61.54
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC[N@H+]1C1CC1	REAL300020290993	1	57	0.0	-73.62	409.69	7.02	-66.60
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC[N@@H+]1C1CC1	REAL300020290994	0	54	0.0	-64.90	408.85	7.89	-57.01
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC[N@H+]1C1CC1	REAL300020290994	1	54	0.0	-69.29	387.09	6.06	-63.23
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC[N@@H+]1C1CC1	REAL300020290994	1	54	0.0	-64.94	408.90	7.91	-57.03
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC[N@H+]1C1CC1	REAL300020290994	1	54	0.0	-69.29	387.14	6.08	-63.21
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291139	0	59	0.0	-64.65	433.60	7.69	-56.96
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291139	1	59	0.0	-69.72	424.12	7.90	-61.82
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291139	1	59	0.0	-64.61	433.66	7.72	-56.89
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291139	1	59	0.0	-69.71	424.18	7.94	-61.77
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CCCCO1	REAL300020291349	0	57	0.0	-63.31	423.06	8.72	-54.59
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CCCCO1	REAL300020291349	1	57	0.0	-68.03	417.74	9.09	-58.94
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CCCCO1	REAL300020291349	1	57	0.0	-63.34	423.09	8.76	-54.58
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CCCCO1	REAL300020291349	1	57	0.0	-67.99	417.84	9.11	-58.88
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291438	0	59	0.0	-64.49	430.65	8.09	-56.40
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291438	1	59	0.0	-64.85	430.39	8.15	-56.70
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291438	1	59	0.0	-64.47	430.71	8.11	-56.36
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291438	1	59	0.0	-64.87	430.45	8.17	-56.70
C(CC1=NN=C(N2CC[NH+](C3CC3)CC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291535	1	57	0.0	-62.62	434.63	8.68	-53.94
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CC3)CC2)N1CC1CCCCO1	REAL300020291536	1	54	0.0	-64.09	409.66	7.49	-56.60
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291566	0	59	0.0	-78.16	431.85	7.53	-70.63
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291566	1	59	0.0	-78.16	431.92	7.53	-70.63
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291584	0	59	0.0	-60.76	445.67	8.45	-52.31
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291584	1	59	0.0	-60.77	445.73	8.48	-52.29
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CCCCO1	REAL300020291592	0	57	0.0	-69.23	424.13	9.12	-60.11
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CCCCO1	REAL300020291592	1	57	0.0	-69.23	424.17	9.12	-60.11
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CCCCO1	REAL300020291613	0	57	0.0	-67.46	430.96	8.77	-58.69
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CCCCO1	REAL300020291613	1	57	0.0	-67.41	431.02	8.80	-58.61
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CCCCO1	REAL300020291644	0	57	0.0	-63.56	428.14	8.05	-55.51
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CCCCO1	REAL300020291644	1	57	0.0	-69.36	410.44	7.70	-61.66
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CCCCO1	REAL300020291644	1	57	0.0	-63.62	428.20	8.08	-55.54
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CCCCO1	REAL300020291644	1	57	0.0	-69.37	410.50	7.72	-61.65
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291805	1	57	0.0	-61.44	433.65	6.38	-55.06
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291824	0	59	0.0	-56.67	429.85	7.93	-48.74
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291824	1	59	0.0	-56.65	429.92	7.94	-48.71
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291834	0	59	0.0	-75.57	420.24	7.93	-67.64
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291834	1	59	0.0	-63.38	434.82	8.32	-55.06
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291835	0	56	0.0	-63.26	417.93	7.60	-55.66
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291835	1	56	0.0	-64.16	415.36	7.78	-56.38
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291835	1	56	0.0	-63.30	417.86	7.58	-55.72
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291835	1	56	0.0	-64.14	415.30	7.75	-56.39
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291866	0	59	0.0	-67.67	443.00	8.35	-59.32
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291867	0	56	0.0	-58.98	423.05	7.55	-51.43
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291867	1	56	0.0	-59.02	422.99	7.53	-51.49
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291887	0	59	0.0	-58.37	437.18	8.11	-50.26
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291887	1	59	0.0	-58.38	437.24	8.14	-50.24
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291893	0	59	0.0	-66.72	419.19	8.68	-58.04
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291893	1	59	0.0	-59.91	433.58	8.16	-51.75
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291893	1	59	0.0	-66.66	419.25	8.71	-57.95
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291893	1	59	0.0	-59.93	433.64	8.18	-51.75
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291982	0	59	0.0	-60.66	441.59	8.50	-52.16
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291982	1	59	0.0	-60.69	441.65	8.52	-52.17
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCC21	REAL300020292132	0	57	0.0	-78.75	402.27	8.14	-70.61
C[N@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCC21	REAL300020292132	1	57	0.0	-65.46	431.34	8.07	-57.39
C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCC21	REAL300020292132	1	57	0.0	-78.76	402.30	8.14	-70.62
C[N@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCC21	REAL300020292132	1	57	0.0	-65.46	431.40	8.10	-57.36
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC[N@@H+]1C	REAL300020292134	0	59	0.0	-66.45	431.64	8.07	-58.38
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC[N@H+]1C	REAL300020292134	1	59	0.0	-65.51	427.57	7.75	-57.76
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC[N@@H+]1C	REAL300020292134	1	59	0.0	-66.44	431.67	8.11	-58.33
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC[N@H+]1C	REAL300020292134	1	59	0.0	-65.50	427.63	7.75	-57.75
C[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292161	0	59	0.0	-75.61	413.13	7.90	-67.71
C[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292161	1	59	0.0	-69.06	430.11	8.51	-60.55
C[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020292162	0	56	0.0	-59.37	416.52	7.44	-51.93
C[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020292162	1	56	0.0	-65.19	415.05	7.45	-57.74
C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292162	1	56	0.0	-59.35	416.58	7.47	-51.88
C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292162	1	56	0.0	-65.17	415.10	7.47	-57.70
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C[C@]2(C)C1	REAL300020292211	0	57	0.0	-72.60	419.93	7.56	-65.04
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C[C@]2(C)C1	REAL300020292211	1	57	0.0	-71.37	425.01	8.19	-63.18
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C[C@]2(C)C1	REAL300020292211	1	57	0.0	-72.64	419.99	7.57	-65.07
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C[C@]2(C)C1	REAL300020292211	1	57	0.0	-71.33	425.07	8.22	-63.11
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020292253	0	59	0.0	-57.37	433.91	8.24	-49.13
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020292253	1	59	0.0	-64.69	427.34	8.19	-56.50
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292253	1	59	0.0	-57.34	433.96	8.26	-49.08
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292253	1	59	0.0	-64.69	427.38	8.22	-56.47
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292451	0	57	0.0	-67.71	423.70	8.76	-58.95
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292451	1	57	0.0	-66.87	427.59	8.21	-58.66
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292451	1	57	0.0	-67.70	423.77	8.78	-58.92
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292451	1	57	0.0	-66.92	427.65	8.24	-58.68
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC[N@@H+]1C1CC1	REAL300020292465	0	57	0.0	-61.38	432.77	8.40	-52.98
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC[N@H+]1C1CC1	REAL300020292465	1	57	0.0	-67.46	411.11	7.67	-59.79
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC[N@@H+]1C1CC1	REAL300020292465	1	57	0.0	-61.37	432.82	8.44	-52.93
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC[N@H+]1C1CC1	REAL300020292465	1	57	0.0	-67.45	411.15	7.69	-59.76
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020292716	0	56	0.0	-61.64	427.91	7.72	-53.92
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020292716	1	56	0.0	-61.54	427.99	7.54	-54.00
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020292716	1	56	0.0	-61.51	427.99	7.69	-53.82
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020292716	1	56	0.0	-61.53	428.05	7.56	-53.97
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020292805	0	58	0.0	-62.51	425.89	7.39	-55.12
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020292805	1	58	0.0	-62.09	425.64	7.43	-54.66
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020292805	1	58	0.0	-62.60	425.95	7.41	-55.19
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020292805	1	58	0.0	-62.15	425.71	7.44	-54.71
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020292902	1	56	0.0	-67.11	438.07	7.78	-59.33
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020292903	1	53	0.0	-58.36	407.51	7.14	-51.22
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292933	0	58	0.0	-68.05	443.34	6.01	-62.04
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292933	1	58	0.0	-68.08	443.40	6.02	-62.06
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292951	0	58	0.0	-62.79	443.79	7.64	-55.15
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292951	1	58	0.0	-62.81	443.81	7.65	-55.16
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020292959	0	56	0.0	-61.21	432.73	7.47	-53.74
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020292959	1	56	0.0	-61.21	432.79	7.48	-53.73
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020292979	0	56	0.0	-71.14	440.83	7.66	-63.48
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020292979	1	56	0.0	-71.12	440.88	7.68	-63.44
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020293010	0	56	0.0	-59.56	410.98	6.79	-52.77
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020293010	1	56	0.0	-61.06	428.13	7.19	-53.87
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020293010	1	56	0.0	-59.55	411.04	6.81	-52.74
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020293010	1	56	0.0	-61.08	428.19	7.20	-53.88
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293170	1	56	0.0	-62.71	436.47	5.40	-57.31
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020293189	0	58	0.0	-58.69	433.25	6.93	-51.76
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020293189	1	58	0.0	-58.72	433.30	6.94	-51.78
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020293199	0	58	0.0	-66.62	446.99	7.61	-59.01
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020293199	1	58	0.0	-67.89	433.15	7.45	-60.44
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020293200	0	55	0.0	-60.69	421.47	6.64	-54.05
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020293200	1	55	0.0	-57.87	412.90	6.88	-50.99
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020293200	1	55	0.0	-60.74	421.55	6.66	-54.08
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020293200	1	55	0.0	-57.91	412.96	6.90	-51.01
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293231	0	58	0.0	-66.43	442.78	7.31	-59.12
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293232	0	55	0.0	-61.15	421.02	6.68	-54.47
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293232	1	55	0.0	-61.18	421.08	6.70	-54.48
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293252	0	58	0.0	-61.00	436.36	7.24	-53.76
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293252	1	58	0.0	-61.00	436.42	7.26	-53.74
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293258	0	58	0.0	-60.96	434.13	7.40	-53.56
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293258	1	58	0.0	-58.75	416.61	7.05	-51.70
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293258	1	58	0.0	-60.89	434.18	7.42	-53.47
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293258	1	58	0.0	-58.78	416.67	7.07	-51.71
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020293346	0	58	0.0	-66.33	441.91	7.59	-58.74
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020293346	1	58	0.0	-66.33	441.97	7.61	-58.72
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020293493	0	56	0.0	-72.65	434.80	6.97	-65.68
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020293493	1	56	0.0	-72.61	430.40	6.77	-65.84
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020293493	1	56	0.0	-72.59	434.86	6.99	-65.60
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020293493	1	56	0.0	-72.64	430.46	6.79	-65.85
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[N@@H+]1C	REAL300020293495	0	58	0.0	-64.68	434.93	7.38	-57.30
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[N@H+]1C	REAL300020293495	1	58	0.0	-62.97	431.46	6.87	-56.10
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[N@@H+]1C	REAL300020293495	1	58	0.0	-64.71	434.98	7.39	-57.32
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[N@H+]1C	REAL300020293495	1	58	0.0	-62.97	431.53	6.90	-56.07
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020293522	0	58	0.0	-67.41	440.62	7.34	-60.07
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020293522	1	58	0.0	-66.52	420.26	6.71	-59.81
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020293523	0	55	0.0	-69.36	418.62	6.52	-62.84
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020293523	1	55	0.0	-69.61	416.32	6.67	-62.94
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020293523	1	55	0.0	-69.34	418.68	6.55	-62.79
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020293523	1	55	0.0	-69.63	416.38	6.70	-62.93
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020293570	0	56	0.0	-64.33	419.61	7.17	-57.16
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020293570	1	56	0.0	-67.18	422.61	6.74	-60.44
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020293570	1	56	0.0	-64.33	419.66	7.19	-57.14
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020293570	1	56	0.0	-67.19	422.67	6.76	-60.43
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020293609	0	58	0.0	-65.38	437.28	7.14	-58.24
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020293609	1	58	0.0	-60.37	433.55	7.22	-53.15
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020293609	1	58	0.0	-65.41	437.34	7.17	-58.24
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020293609	1	58	0.0	-60.36	433.62	7.24	-53.12
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293804	0	56	0.0	-68.42	421.79	6.63	-61.79
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293804	1	56	0.0	-65.74	428.25	7.82	-57.92
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293804	1	56	0.0	-68.39	421.85	6.66	-61.73
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293804	1	56	0.0	-65.72	428.31	7.84	-57.88
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[N@@H+]1C1CC1	REAL300020293818	0	56	0.0	-65.52	433.30	7.47	-58.05
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[N@H+]1C1CC1	REAL300020293818	1	56	0.0	-66.50	433.27	7.47	-59.03
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[N@@H+]1C1CC1	REAL300020293818	1	56	0.0	-65.52	433.36	7.49	-58.03
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[N@H+]1C1CC1	REAL300020293818	1	56	0.0	-66.52	433.33	7.49	-59.03
C1=CC=C(C[N@H+]2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020293972	0	56	0.0	-73.39	432.00	10.91	-62.48
C1=CC=C(C[N@@H+]2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020293972	1	56	0.0	-69.54	422.10	11.69	-57.85
C1=CC=C(C[N@H+]2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020293972	1	56	0.0	-73.39	432.06	10.93	-62.46
C1=CC=C(C[N@@H+]2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020293972	1	56	0.0	-69.59	422.14	11.70	-57.89
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294152	0	57	0.0	-66.71	430.04	7.16	-59.55
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294152	1	57	0.0	-67.48	411.50	7.67	-59.81
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294152	1	57	0.0	-66.75	430.10	7.18	-59.57
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294152	1	57	0.0	-67.50	411.55	7.68	-59.82
C(CC1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294322	0	53	0.0	-62.85	407.65	9.72	-53.13
C(CC1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294322	1	53	0.0	-62.60	407.99	9.66	-52.94
C(CC1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294322	1	53	0.0	-62.85	407.71	9.73	-53.12
C(CC1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294322	1	53	0.0	-62.59	408.05	9.68	-52.91
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CC1	REAL300020294323	0	50	0.0	-63.44	375.00	9.50	-53.94
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CC1	REAL300020294323	1	50	0.0	-59.99	386.49	8.88	-51.11
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CC1	REAL300020294323	1	50	0.0	-63.48	375.02	9.52	-53.96
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CC1	REAL300020294323	1	50	0.0	-60.02	386.54	8.90	-51.12
C(CC1=NN=C(N2CCC[N@@H+](C3CCCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294324	0	59	0.0	-63.28	438.90	10.86	-52.42
C(CC1=NN=C(N2CCC[N@H+](C3CCCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294324	1	59	0.0	-63.84	434.87	10.53	-53.31
C(CC1=NN=C(N2CCC[N@@H+](C3CCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294324	1	59	0.0	-63.29	438.84	10.84	-52.45
C(CC1=NN=C(N2CCC[N@H+](C3CCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294324	1	59	0.0	-63.82	434.81	10.51	-53.31
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](C3CCCC3)CC2)N1CC1CC1	REAL300020294325	0	56	0.0	-64.55	418.66	10.19	-54.36
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](C3CCCC3)CC2)N1CC1CC1	REAL300020294325	1	56	0.0	-62.31	418.07	9.74	-52.57
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](C3CCCC3)CC2)N1CC1CC1	REAL300020294325	1	56	0.0	-64.58	418.72	10.21	-54.37
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](C3CCCC3)CC2)N1CC1CC1	REAL300020294325	1	56	0.0	-62.26	418.13	9.77	-52.49
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294465	0	58	0.0	-65.01	442.00	9.51	-55.50
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294465	1	58	0.0	-65.04	442.06	9.53	-55.51
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294466	0	55	0.0	-61.62	412.57	9.32	-52.30
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294466	1	55	0.0	-61.62	412.63	9.33	-52.29
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](CC3CCCCC3)CC2)N1CC1CC1	REAL300020294467	0	62	0.0	-69.70	434.73	10.85	-58.85
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](CC3CCCCC3)CC2)N1CC1CC1	REAL300020294467	1	62	0.0	-67.71	456.07	11.62	-56.09
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](CC3CCCCC3)CC2)N1CC1CC1	REAL300020294467	1	62	0.0	-69.71	434.77	10.87	-58.84
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](CC3CCCCC3)CC2)N1CC1CC1	REAL300020294467	1	62	0.0	-67.68	456.12	11.66	-56.02
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020294575	0	55	0.0	-65.33	406.13	8.91	-56.42
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020294575	1	55	0.0	-63.66	402.57	9.35	-54.31
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020294575	1	55	0.0	-65.36	406.19	8.92	-56.44
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020294575	1	55	0.0	-63.60	402.64	9.36	-54.24
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020294576	0	52	0.0	-65.62	382.57	7.16	-58.46
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020294576	1	52	0.0	-67.54	383.86	8.37	-59.17
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020294576	1	52	0.0	-65.64	382.62	7.19	-58.45
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020294576	1	52	0.0	-67.52	383.91	8.40	-59.12
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@H](C[NH+]3CCOCC3)C2)N1CC1CC1	REAL300020294596	1	57	0.0	-61.60	422.51	8.67	-52.93
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294605	0	57	0.0	-68.66	412.05	7.91	-60.75
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294605	1	57	0.0	-70.96	417.39	6.67	-64.29
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294605	1	57	0.0	-68.68	412.11	7.93	-60.75
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294605	1	57	0.0	-70.96	417.44	6.69	-64.27
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)CC1	REAL300020294653	0	58	0.0	-64.55	433.98	7.41	-57.14
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)CC1	REAL300020294653	1	58	0.0	-64.60	434.04	7.43	-57.17
CC1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294669	0	56	0.0	-68.57	432.25	10.74	-57.83
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294669	1	56	0.0	-69.30	413.47	11.06	-58.24
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294680	0	56	0.0	-71.00	428.70	10.97	-60.03
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294680	1	56	0.0	-69.31	413.49	11.07	-58.24
CN(CC(C)(C)C[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294757	1	59	0.0	-61.18	428.73	7.35	-53.83
CC(C1=CSC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294800	1	53	0.0	-61.64	427.48	9.95	-51.69
CCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294887	1	56	0.0	-65.47	438.82	8.38	-57.09
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294888	1	53	0.0	-63.06	417.33	7.60	-55.46
C(CC1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294892	0	56	0.0	-67.14	422.04	10.00	-57.14
C(CC1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294892	1	56	0.0	-67.12	422.10	10.02	-57.10
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1CC1CC1	REAL300020294893	0	53	0.0	-69.32	392.75	9.36	-59.96
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1CC1CC1	REAL300020294893	1	53	0.0	-69.29	392.78	9.38	-59.91
C(CC1=NN=C(N2CC[NH+](C3CC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294894	1	50	0.0	-62.58	395.99	8.97	-53.61
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CC3)CC2)N1CC1CC1	REAL300020294895	1	47	0.0	-65.32	363.47	8.50	-56.82
C1=CC(C2=NN=C(N3CC[NH+](C4CC4)CC3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020294896	1	54	0.0	-69.14	415.50	10.99	-58.15
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294944	0	58	0.0	-68.34	438.13	10.42	-57.92
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294944	1	58	0.0	-69.34	436.68	10.21	-59.13
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294944	1	58	0.0	-68.36	438.19	10.43	-57.93
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294944	1	58	0.0	-69.33	436.74	10.22	-59.11
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294945	0	55	0.0	-65.56	417.86	9.58	-55.98
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294945	1	55	0.0	-72.85	413.91	9.61	-63.24
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294945	1	55	0.0	-65.55	417.92	9.60	-55.95
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294945	1	55	0.0	-72.90	413.97	9.62	-63.28
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295008	0	55	0.0	-71.35	413.16	8.10	-63.25
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295008	1	55	0.0	-71.36	413.22	8.12	-63.24
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295009	0	52	0.0	-71.58	393.00	7.57	-64.01
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295009	1	52	0.0	-71.58	393.04	7.60	-63.98
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295061	0	55	0.0	-64.78	423.47	9.65	-55.13
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295061	1	55	0.0	-64.79	423.52	9.67	-55.12
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295062	0	52	0.0	-62.54	401.82	8.89	-53.65
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295062	1	52	0.0	-62.54	401.76	8.86	-53.68
C(CC1=NN=C(N2CC[NH+](CC3CCCO3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295065	1	57	0.0	-66.88	436.04	8.82	-58.06
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CCCO3)CC2)N1CC1CC1	REAL300020295066	1	54	0.0	-64.98	412.56	7.97	-57.01
CC1=CC=CC(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295067	1	56	0.0	-66.66	443.20	11.04	-55.62
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295071	0	58	0.0	-67.30	422.54	9.89	-57.41
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295071	1	58	0.0	-67.28	422.60	9.91	-57.37
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295072	0	55	0.0	-67.24	401.00	9.11	-58.13
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295072	1	55	0.0	-67.26	401.04	9.13	-58.13
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CCOCC3)CC2)N1CC1CC1	REAL300020295080	0	57	0.0	-67.60	434.36	8.38	-59.22
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CCOCC3)CC2)N1CC1CC1	REAL300020295080	1	57	0.0	-67.62	434.42	8.40	-59.22
C(CC1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295086	0	53	0.0	-64.28	410.81	9.74	-54.54
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CC1	REAL300020295087	0	50	0.0	-64.08	384.35	9.06	-55.02
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CC1	REAL300020295087	1	50	0.0	-64.05	384.41	9.08	-54.97
CC1CCC([NH+]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)CC1	REAL300020295090	0	62	0.0	-64.59	459.57	10.94	-53.65
CC1CCC([NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)CC1	REAL300020295090	1	62	0.0	-64.61	459.63	10.95	-53.66
CC1CCC([NH+]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)CC1	REAL300020295091	0	59	0.0	-67.06	423.99	10.51	-56.55
CC1CCC([NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)CC1	REAL300020295091	1	59	0.0	-67.07	424.03	10.52	-56.55
C(CC1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295143	0	53	0.0	-67.10	408.52	9.68	-57.42
C(CC1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295143	1	53	0.0	-67.14	408.58	9.70	-57.44
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CC1	REAL300020295144	0	50	0.0	-68.56	379.74	9.05	-59.51
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CC1	REAL300020295144	1	50	0.0	-68.51	379.76	9.06	-59.45
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295170	1	59	0.0	-65.54	441.14	8.60	-56.94
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295170	1	59	0.0	-65.90	435.68	8.45	-57.45
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295171	1	56	0.0	-65.31	428.22	7.74	-57.57
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295171	1	56	0.0	-62.75	423.66	7.91	-54.84
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1[NH+]1CCOCC1	REAL300020295172	1	57	0.0	-65.31	425.65	7.89	-57.42
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1[NH+]1CCOCC1	REAL300020295173	1	54	0.0	-61.25	391.20	7.32	-53.93
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295205	0	61	0.0	-69.51	447.49	10.92	-58.59
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295205	1	61	0.0	-69.81	445.58	10.70	-59.11
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295205	1	61	0.0	-69.49	447.55	10.93	-58.56
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295205	1	61	0.0	-69.81	445.64	10.71	-59.10
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295206	0	58	0.0	-70.85	425.94	10.13	-60.72
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295206	1	58	0.0	-71.31	424.05	9.92	-61.39
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295206	1	58	0.0	-70.83	425.99	10.16	-60.67
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295206	1	58	0.0	-71.26	424.08	9.95	-61.31
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295219	0	61	0.0	-66.69	461.06	10.62	-56.07
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295219	1	61	0.0	-66.72	461.11	10.64	-56.08
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295220	0	58	0.0	-68.91	428.56	10.16	-58.75
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295220	1	58	0.0	-68.91	428.59	10.18	-58.73
C(CC1=NN=C(N2CCC3C(CCC[N@@H+]3C3CC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295231	0	60	0.0	-65.22	444.32	10.81	-54.41
C(CC1=NN=C(N2CCC3C(CCC[N@H+]3C3CC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295231	1	60	0.0	-65.36	440.43	10.98	-54.38
C(CC1=NN=C(N2CCC3C(CCC[N@@H+]3C3CC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295231	1	60	0.0	-65.23	444.38	10.82	-54.41
C(CC1=NN=C(N2CCC3C(CCC[N@H+]3C3CC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295231	1	60	0.0	-65.36	440.49	10.99	-54.37
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3C(CCC[N@@H+]3C3CC3)C2)N1CC1CC1	REAL300020295232	0	57	0.0	-67.54	425.68	10.01	-57.53
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3C(CCC[N@H+]3C3CC3)C2)N1CC1CC1	REAL300020295232	1	57	0.0	-65.63	423.86	10.27	-55.36
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3C(CCC[N@@H+]3C3CC3)C2)N1CC1CC1	REAL300020295232	1	57	0.0	-67.55	425.73	10.03	-57.52
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3C(CCC[N@H+]3C3CC3)C2)N1CC1CC1	REAL300020295232	1	57	0.0	-65.64	423.92	10.29	-55.35
CC1CC[NH+](CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)CC1	REAL300020295246	0	62	0.0	-62.96	460.26	11.53	-51.43
CC1CC[NH+](CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)CC1	REAL300020295246	1	62	0.0	-62.92	460.32	11.55	-51.37
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295247	0	62	0.0	-65.34	459.90	11.23	-54.11
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295247	1	62	0.0	-64.93	451.66	11.09	-53.84
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295247	1	62	0.0	-65.35	459.96	11.26	-54.09
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295247	1	62	0.0	-64.94	451.71	11.11	-53.83
C(CC1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295251	0	53	0.0	-66.01	398.00	9.25	-56.76
C(CC1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295251	1	53	0.0	-64.12	407.32	9.42	-54.70
C(CC1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295251	1	53	0.0	-66.01	398.06	9.28	-56.73
C(CC1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295251	1	53	0.0	-64.08	407.37	9.44	-54.64
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CC1	REAL300020295252	0	50	0.0	-65.40	376.56	8.50	-56.90
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CC1	REAL300020295252	1	50	0.0	-65.33	384.53	8.64	-56.69
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CC1	REAL300020295252	1	50	0.0	-65.36	376.50	8.48	-56.88
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CC1	REAL300020295252	1	50	0.0	-65.35	384.48	8.63	-56.72
C(CC1=NN=C(N2CCC([NH+]3CCCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295284	0	59	0.0	-67.70	432.55	10.64	-57.06
C(CC1=NN=C(N2CCC([NH+]3CCCCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295284	1	59	0.0	-67.73	432.61	10.66	-57.07
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCCC3)CC2)N1CC1CC1	REAL300020295285	0	56	0.0	-68.47	410.07	10.10	-58.37
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCCC3)CC2)N1CC1CC1	REAL300020295285	1	56	0.0	-68.48	410.13	10.11	-58.37
C(CC1=NN=C(N2CCC(C[NH+]3CCOCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295293	1	57	0.0	-69.72	433.99	8.37	-61.35
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C[NH+]3CCOCC3)C2)N1CC1CC1	REAL300020295294	1	54	0.0	-72.09	413.29	7.63	-64.46
C(CC1=NN=C(N2CCC(C[NH+]3CCCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295304	0	59	0.0	-66.78	440.65	10.86	-55.92
C(CC1=NN=C(N2CCC(C[NH+]3CCCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295304	1	59	0.0	-66.79	440.71	10.87	-55.92
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C[NH+]3CCCCC3)C2)N1CC1CC1	REAL300020295305	0	56	0.0	-66.93	418.43	10.15	-56.78
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C[NH+]3CCCCC3)C2)N1CC1CC1	REAL300020295305	1	56	0.0	-66.89	418.49	10.16	-56.73
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H](C[NH+]3CCOCC3)C2)N1CC1CC1	REAL300020295351	1	57	0.0	-69.25	432.90	8.54	-60.71
C(CC1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295400	0	56	0.0	-62.95	419.92	10.07	-52.88
C(CC1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295400	1	56	0.0	-62.92	419.97	10.08	-52.84
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1CC1CC1	REAL300020295401	0	53	0.0	-59.58	400.54	9.27	-50.31
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1CC1CC1	REAL300020295401	1	53	0.0	-59.61	400.60	9.30	-50.31
CC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295404	0	56	0.0	-67.60	429.16	11.41	-56.19
C[N@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295412	0	56	0.0	-71.47	429.90	11.02	-60.45
C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295412	1	56	0.0	-71.95	437.65	11.01	-60.94
C[N@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295412	1	56	0.0	-71.53	429.96	11.04	-60.49
C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295412	1	56	0.0	-71.97	437.71	11.04	-60.93
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295426	0	58	0.0	-66.33	440.28	10.34	-55.99
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295426	1	58	0.0	-66.34	440.34	10.35	-55.99
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295427	0	55	0.0	-63.59	404.73	9.09	-54.50
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295427	1	55	0.0	-63.57	404.79	9.12	-54.45
C(CC1=NN=C(N2CC[NH+](C3CC4CCC3C4)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295445	0	60	0.0	-64.31	446.59	11.06	-53.25
C(CC1=NN=C(N2CC[NH+](C3CC4CCC3C4)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295445	1	60	0.0	-64.28	446.53	11.04	-53.24
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CC4CCC3C4)CC2)N1CC1CC1	REAL300020295446	0	57	0.0	-61.54	420.03	10.44	-51.10
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CC4CCC3C4)CC2)N1CC1CC1	REAL300020295446	1	57	0.0	-61.60	420.07	10.47	-51.13
C(CC1=NN=C(N2CCCC([NH+]3CCCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295472	0	59	0.0	-61.78	440.38	10.72	-51.06
C(CC1=NN=C(N2CCCC([NH+]3CCCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295472	1	59	0.0	-61.78	440.43	10.74	-51.04
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC([NH+]3CCCCC3)C2)N1CC1CC1	REAL300020295473	0	56	0.0	-60.46	402.99	10.03	-50.43
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC([NH+]3CCCCC3)C2)N1CC1CC1	REAL300020295473	1	56	0.0	-60.45	403.05	10.04	-50.41
C1=CSC(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295492	1	53	0.0	-67.47	434.09	10.29	-57.18
C1=CSC(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295493	1	50	0.0	-65.21	412.59	9.52	-55.69
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020295518	1	59	0.0	-66.68	449.19	8.60	-58.08
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020295518	1	59	0.0	-65.73	452.19	8.85	-56.88
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020295519	1	56	0.0	-64.49	409.49	8.07	-56.42
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020295519	1	56	0.0	-64.74	424.21	8.21	-56.53
C(CC1=NN=C(N2CC[NH+](CC3CCOC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295596	0	57	0.0	-72.65	434.55	8.51	-64.14
C(CC1=NN=C(N2CC[NH+](CC3CCOC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295596	1	57	0.0	-72.71	434.61	8.53	-64.18
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CCOC3)CC2)N1CC1CC1	REAL300020295597	0	54	0.0	-73.16	407.05	7.87	-65.29
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CCOC3)CC2)N1CC1CC1	REAL300020295597	1	54	0.0	-73.20	407.12	7.88	-65.32
C1=CC(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=CS1	REAL300020295664	1	53	0.0	-68.77	433.17	10.08	-58.69
C1=CC(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=CS1	REAL300020295665	1	50	0.0	-66.91	412.14	9.37	-57.54
C(CC1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295685	0	56	0.0	-61.22	423.64	10.05	-51.17
C(CC1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295685	1	56	0.0	-61.18	423.70	10.07	-51.11
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1CC1CC1	REAL300020295686	0	53	0.0	-60.35	403.87	9.28	-51.07
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1CC1CC1	REAL300020295686	1	53	0.0	-60.39	403.93	9.31	-51.08
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+]1CCOC	REAL300020295692	0	59	0.0	-64.27	433.76	8.68	-55.59
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@H+]1CCOC	REAL300020295692	1	59	0.0	-65.42	440.82	8.76	-56.66
C1=CC=C(CC[NH+]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020295760	0	56	0.0	-67.98	443.28	11.37	-56.61
C1=CC=C(CC[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020295760	1	56	0.0	-67.97	443.34	11.39	-56.58
COCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295764	1	53	0.0	-65.31	416.97	7.41	-57.90
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295765	1	50	0.0	-66.84	387.28	6.94	-59.90
CC(C)OCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295773	1	59	0.0	-65.45	459.09	9.12	-56.33
CC(C)OCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295774	1	56	0.0	-63.18	437.60	8.35	-54.83
C(CC1=NN=C(N2CC[NH+](C3CCOCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295781	0	57	0.0	-66.73	429.61	7.95	-58.78
C(CC1=NN=C(N2CC[NH+](C3CCOCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295781	1	57	0.0	-66.77	429.66	7.96	-58.81
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCOCC3)CC2)N1CC1CC1	REAL300020295782	0	54	0.0	-64.42	408.12	7.16	-57.26
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCOCC3)CC2)N1CC1CC1	REAL300020295782	1	54	0.0	-64.44	408.17	7.19	-57.25
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C[NH+]3CCOCC3)CC2)N1CC1CC1	REAL300020295787	0	57	0.0	-69.82	434.49	8.36	-61.46
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C[NH+]3CCOCC3)CC2)N1CC1CC1	REAL300020295787	1	57	0.0	-69.82	434.54	8.38	-61.44
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295788	0	61	0.0	-74.43	450.49	11.41	-63.02
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295788	1	61	0.0	-68.53	462.32	11.10	-57.43
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295788	1	61	0.0	-74.46	450.55	11.43	-63.03
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295788	1	61	0.0	-68.57	462.37	11.12	-57.45
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C[NH+]3CCCCCC3)CC2)N1CC1CC1	REAL300020295789	0	62	0.0	-71.15	446.89	11.16	-59.99
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C[NH+]3CCCCCC3)CC2)N1CC1CC1	REAL300020295789	1	62	0.0	-71.19	446.94	11.17	-60.02
C1=CSC(CC[NH+]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020295792	0	53	0.0	-66.41	433.96	10.25	-56.16
C1=CSC(CC[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295792	1	53	0.0	-66.43	434.02	10.28	-56.15
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295834	0	55	0.0	-60.88	413.35	8.95	-51.93
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295834	1	55	0.0	-60.92	413.41	8.96	-51.96
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295835	0	52	0.0	-63.44	380.86	8.48	-54.96
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295835	1	52	0.0	-63.43	380.91	8.50	-54.93
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020295874	0	52	0.0	-63.97	392.90	8.97	-55.00
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020295874	1	52	0.0	-63.43	401.40	8.71	-54.72
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020295875	0	49	0.0	-60.99	379.84	7.93	-53.06
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020295875	1	49	0.0	-65.33	365.07	8.12	-57.21
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020295875	1	49	0.0	-60.95	379.78	7.90	-53.05
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020295875	1	49	0.0	-65.26	365.01	8.09	-57.17
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1C	REAL300020295876	0	56	0.0	-69.61	425.73	10.84	-58.77
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1C	REAL300020295876	1	56	0.0	-74.05	406.29	10.10	-63.95
C(CC1=NN=C(N2CC[NH+](C3CCCCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295954	0	59	0.0	-64.11	442.75	10.59	-53.52
C(CC1=NN=C(N2CC[NH+](C3CCCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295954	1	59	0.0	-64.04	442.70	10.58	-53.46
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCCCC3)CC2)N1CC1CC1	REAL300020295955	0	56	0.0	-63.09	414.80	9.92	-53.17
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCCCC3)CC2)N1CC1CC1	REAL300020295955	1	56	0.0	-63.10	414.84	9.94	-53.16
C(CC1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295958	0	56	0.0	-63.87	426.65	10.10	-53.77
C(CC1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295958	1	56	0.0	-63.88	426.71	10.11	-53.77
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1CC1CC1	REAL300020295959	0	53	0.0	-64.57	400.13	9.61	-54.96
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1CC1CC1	REAL300020295959	1	53	0.0	-64.56	400.16	9.63	-54.93
C(CC1=NN=C(N2CC[NH+](CC3CCCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295960	0	62	0.0	-67.27	464.73	11.49	-55.78
C(CC1=NN=C(N2CC[NH+](CC3CCCCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295960	1	62	0.0	-67.28	464.79	11.50	-55.78
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CCCCC3)CC2)N1CC1CC1	REAL300020295961	0	59	0.0	-64.94	443.24	10.71	-54.23
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CCCCC3)CC2)N1CC1CC1	REAL300020295961	1	59	0.0	-64.88	443.29	10.74	-54.14
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295962	0	52	0.0	-62.83	401.12	8.74	-54.09
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295963	0	49	0.0	-60.32	379.63	7.98	-52.34
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295963	1	49	0.0	-60.29	379.57	7.94	-52.35
CC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020295964	0	56	0.0	-68.82	425.90	10.64	-58.18
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295993	0	55	0.0	-64.49	414.27	9.53	-54.96
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295993	1	55	0.0	-64.55	414.32	9.55	-55.00
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295994	0	52	0.0	-65.77	385.88	8.89	-56.88
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295994	1	52	0.0	-65.82	385.94	8.90	-56.92
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC[N@@H+](C2CCC2)C1	REAL300020296010	0	59	0.0	-68.42	432.12	10.33	-58.09
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC[N@H+](C2CCC2)C1	REAL300020296010	1	59	0.0	-64.36	445.17	10.93	-53.43
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+](C2CCC2)C1	REAL300020296010	1	59	0.0	-68.40	432.18	10.35	-58.05
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC[N@H+](C2CCC2)C1	REAL300020296010	1	59	0.0	-64.38	445.23	10.95	-53.43
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[N@@H+](C2CCC2)C1	REAL300020296011	0	56	0.0	-67.89	409.86	9.89	-58.00
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[N@H+](C2CCC2)C1	REAL300020296011	1	56	0.0	-67.88	406.39	9.54	-58.34
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+](C2CCC2)C1	REAL300020296011	1	56	0.0	-67.95	409.91	9.90	-58.05
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@H+](C2CCC2)C1	REAL300020296011	1	56	0.0	-67.88	406.45	9.57	-58.31
C1=CC=C(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020296016	1	56	0.0	-68.60	442.90	11.08	-57.52
C1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020296017	1	53	0.0	-71.68	410.84	10.68	-61.00
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296020	0	55	0.0	-64.01	414.13	9.61	-54.40
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296020	1	55	0.0	-66.42	412.71	9.41	-57.01
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296020	1	55	0.0	-64.03	414.18	9.64	-54.39
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296020	1	55	0.0	-66.42	412.77	9.42	-57.00
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296021	0	52	0.0	-60.64	392.29	8.80	-51.84
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296021	1	52	0.0	-62.74	391.22	8.61	-54.13
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296021	1	52	0.0	-60.67	392.35	8.82	-51.85
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296021	1	52	0.0	-62.73	391.28	8.64	-54.09
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296022	0	58	0.0	-63.03	423.83	9.71	-53.32
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296022	1	58	0.0	-59.46	419.96	9.23	-50.23
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296022	1	58	0.0	-63.04	423.88	9.72	-53.32
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296022	1	58	0.0	-59.52	420.02	9.24	-50.28
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296023	0	55	0.0	-60.80	399.59	9.37	-51.43
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296023	1	55	0.0	-56.94	396.87	8.63	-48.31
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296023	1	55	0.0	-60.81	399.64	9.40	-51.41
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296023	1	55	0.0	-56.90	396.93	8.66	-48.24
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](C3CCOCC3)CC2)N1CC1CC1	REAL300020296024	0	57	0.0	-66.76	412.83	8.73	-58.03
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](C3CCOCC3)CC2)N1CC1CC1	REAL300020296024	1	57	0.0	-64.68	410.29	7.99	-56.69
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](C3CCOCC3)CC2)N1CC1CC1	REAL300020296024	1	57	0.0	-66.79	412.89	8.76	-58.03
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](C3CCOCC3)CC2)N1CC1CC1	REAL300020296024	1	57	0.0	-64.68	410.33	8.01	-56.67
COCC(COC)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296123	1	57	0.0	-66.54	429.89	7.88	-58.66
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020296124	0	56	0.0	-66.57	424.03	11.04	-55.53
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300020296124	1	56	0.0	-65.60	416.08	11.22	-54.38
COCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296174	0	59	0.0	-62.35	445.01	8.16	-54.19
COCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296175	0	56	0.0	-59.46	423.52	7.38	-52.08
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296216	0	59	0.0	-62.19	436.47	8.44	-53.75
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296216	1	59	0.0	-63.30	436.50	8.63	-54.67
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296217	0	56	0.0	-60.27	415.52	7.96	-52.31
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296217	1	56	0.0	-63.71	417.52	7.05	-56.66
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296236	0	58	0.0	-61.11	427.64	9.43	-51.68
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296236	1	58	0.0	-61.10	427.58	9.42	-51.68
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296237	0	55	0.0	-63.67	395.08	8.95	-54.72
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296237	1	55	0.0	-63.63	395.14	8.97	-54.66
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296251	0	55	0.0	-64.71	421.84	9.53	-55.18
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296251	1	55	0.0	-64.73	421.78	9.51	-55.22
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296252	0	52	0.0	-61.08	397.62	8.95	-52.13
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296252	1	52	0.0	-61.13	397.68	8.97	-52.16
COCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296255	1	57	0.0	-64.58	450.96	6.86	-57.72
C1=CC=C(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020296261	1	56	0.0	-68.60	442.90	11.08	-57.52
C1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020296262	1	53	0.0	-71.68	410.84	10.68	-61.00
C(CC1=NN=C(N2CC[NH+](C3CCOC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296332	1	54	0.0	-67.63	417.63	7.55	-60.08
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCOC3)CC2)N1CC1CC1	REAL300020296333	1	51	0.0	-64.78	396.14	6.77	-58.01
C[NH+](C)CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296579	0	59	0.0	-65.92	451.84	9.06	-56.86
C[NH+](C)CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296579	1	59	0.0	-65.91	451.89	9.07	-56.84
C[NH+](C)CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296580	0	56	0.0	-66.26	433.64	8.38	-57.88
C[NH+](C)CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296580	1	56	0.0	-66.37	433.70	8.41	-57.96
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296636	0	58	0.0	-69.72	401.27	8.71	-61.01
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296636	1	58	0.0	-69.73	401.32	8.72	-61.01
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296637	0	55	0.0	-71.51	392.04	8.34	-63.17
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296637	1	55	0.0	-71.49	392.09	8.35	-63.14
CC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296642	0	59	0.0	-65.75	431.18	9.79	-55.96
CC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296642	1	59	0.0	-65.70	431.23	9.81	-55.89
CC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296643	0	56	0.0	-63.31	411.29	9.06	-54.25
CC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296643	1	56	0.0	-63.35	411.35	9.09	-54.26
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296648	0	62	0.0	-65.62	437.22	10.64	-54.98
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296648	1	62	0.0	-65.62	437.28	10.66	-54.96
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296649	0	59	0.0	-63.20	420.79	9.36	-53.84
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296649	1	59	0.0	-63.18	420.84	9.39	-53.79
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296658	0	59	0.0	-73.80	451.46	8.25	-65.55
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296658	1	59	0.0	-73.80	451.53	8.27	-65.53
CC1([NH+]2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296661	0	57	0.0	-68.98	408.02	7.43	-61.55
C[NH+]1CCC(N2C=C(NC3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C=N2)CC1	REAL300020296689	0	56	0.0	-80.83	438.79	10.82	-70.01
C[NH+]1CCC(N2C=C(NC3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C=N2)CC1	REAL300020296689	1	56	0.0	-80.81	438.73	10.80	-70.01
C[NH+]1CCC(N2C=C(NC3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C=N2)CC1	REAL300020296690	0	53	0.0	-83.53	417.60	10.16	-73.37
C[NH+]1CCC(N2C=C(NC3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C=N2)CC1	REAL300020296690	1	53	0.0	-83.57	417.54	10.14	-73.43
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC21	REAL300020296736	0	53	0.0	-70.57	396.66	8.60	-61.97
C[N@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC21	REAL300020296736	1	53	0.0	-68.83	399.52	9.15	-59.68
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC21	REAL300020296736	1	53	0.0	-70.58	396.72	8.62	-61.96
C[N@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC21	REAL300020296736	1	53	0.0	-68.81	399.58	9.16	-59.65
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC21	REAL300020296737	0	50	0.0	-65.42	383.77	8.47	-56.95
C[N@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC21	REAL300020296737	1	50	0.0	-71.24	386.53	8.54	-62.70
C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC21	REAL300020296737	1	50	0.0	-65.49	383.83	8.50	-56.99
C[N@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC21	REAL300020296737	1	50	0.0	-71.27	386.58	8.55	-62.72
CN1CC[NH+](C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)CC1	REAL300020296742	0	58	0.0	-66.84	431.20	7.36	-59.48
CN1CC[NH+](C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)CC1	REAL300020296742	1	58	0.0	-66.86	431.25	7.38	-59.48
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC[N@@H+]1C	REAL300020296747	0	55	0.0	-65.81	416.00	9.26	-56.55
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC[N@H+]1C	REAL300020296747	1	55	0.0	-65.21	411.69	8.90	-56.31
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+]1C	REAL300020296747	1	55	0.0	-65.84	416.06	9.27	-56.57
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC[N@H+]1C	REAL300020296747	1	55	0.0	-65.21	411.75	8.92	-56.29
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[N@@H+]1C	REAL300020296748	0	52	0.0	-70.20	392.07	8.62	-61.58
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[N@H+]1C	REAL300020296748	1	52	0.0	-67.34	388.92	8.10	-59.24
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+]1C	REAL300020296748	1	52	0.0	-70.22	392.13	8.64	-61.58
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@H+]1C	REAL300020296748	1	52	0.0	-67.38	388.98	8.11	-59.27
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296779	0	61	0.0	-70.40	443.97	9.93	-60.47
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296779	1	61	0.0	-70.43	444.03	9.94	-60.49
C1=CN=C(CC[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=N1	REAL300020296780	1	54	0.0	-74.36	422.24	7.89	-66.47
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2=CC=C[NH+]=C21	REAL300020296787	1	52	0.0	-61.95	398.50	7.64	-54.31
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2=CC=C[NH+]=C21	REAL300020296788	1	49	0.0	-61.40	369.07	7.05	-54.35
CC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296830	0	56	0.0	-63.14	429.65	10.70	-52.44
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296833	0	62	0.0	-66.62	425.40	9.90	-56.72
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296833	1	62	0.0	-66.68	425.46	9.92	-56.76
C[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020296834	0	52	0.0	-64.47	392.36	8.81	-55.66
C[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020296834	1	52	0.0	-68.60	381.46	8.20	-60.40
C[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020296835	0	49	0.0	-61.74	372.98	8.07	-53.67
C[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020296835	1	49	0.0	-62.95	355.35	8.07	-54.88
C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020296835	1	49	0.0	-61.80	373.03	8.09	-53.71
C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020296835	1	49	0.0	-63.02	355.43	8.09	-54.93
C[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1(C)C	REAL300020296836	0	56	0.0	-73.97	404.59	9.90	-64.07
C[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1(C)C	REAL300020296836	1	56	0.0	-73.99	404.55	9.91	-64.08
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296887	0	62	0.0	-66.32	434.61	10.47	-55.85
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296887	1	62	0.0	-66.32	434.67	10.48	-55.84
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296888	0	59	0.0	-66.19	416.86	9.83	-56.36
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296888	1	59	0.0	-66.19	416.92	9.84	-56.35
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296968	0	59	0.0	-67.67	422.86	10.13	-57.54
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296968	1	59	0.0	-67.71	422.92	10.14	-57.57
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296969	0	56	0.0	-64.33	404.68	8.63	-55.70
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296969	1	56	0.0	-64.33	404.74	8.65	-55.68
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@]2(C)C1	REAL300020297025	0	53	0.0	-68.70	400.62	8.54	-60.16
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@]2(C)C1	REAL300020297025	1	53	0.0	-69.43	408.09	9.33	-60.10
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@]2(C)C1	REAL300020297025	1	53	0.0	-68.71	400.67	8.56	-60.15
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@]2(C)C1	REAL300020297025	1	53	0.0	-69.42	408.14	9.35	-60.07
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@]2(C)C1	REAL300020297026	0	50	0.0	-66.80	385.98	7.86	-58.94
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@]2(C)C1	REAL300020297026	1	50	0.0	-59.63	383.28	8.01	-51.62
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@]2(C)C1	REAL300020297026	1	50	0.0	-66.78	386.03	7.87	-58.91
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@]2(C)C1	REAL300020297026	1	50	0.0	-59.65	383.34	8.03	-51.62
CC[N@@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020297160	0	55	0.0	-66.11	398.56	8.76	-57.35
CC[N@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020297160	1	55	0.0	-63.18	410.28	9.43	-53.75
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020297160	1	55	0.0	-66.13	398.62	8.77	-57.36
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020297160	1	55	0.0	-63.22	410.34	9.44	-53.78
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020297161	0	52	0.0	-63.71	376.99	7.97	-55.74
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020297161	1	52	0.0	-60.72	373.25	8.68	-52.04
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020297161	1	52	0.0	-63.70	377.05	8.00	-55.70
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020297161	1	52	0.0	-60.70	373.31	8.70	-52.00
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020297240	0	56	0.0	-64.90	434.21	11.04	-53.86
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300020297240	1	56	0.0	-63.11	433.82	11.03	-52.08
C[NH+](C)C1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2C1	REAL300020297270	0	59	0.0	-67.37	442.86	10.29	-57.08
C[NH+](C)C1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2C1	REAL300020297270	1	59	0.0	-67.41	442.91	10.30	-57.11
C[NH+](C)C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2C1	REAL300020297271	0	56	0.0	-72.53	420.06	9.48	-63.05
C[NH+](C)C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2C1	REAL300020297271	1	56	0.0	-72.52	420.11	9.49	-63.03
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[N@H+](CC)CC1	REAL300020297288	0	60	0.0	-63.33	441.38	7.82	-55.51
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[N@@H+](CC)CC1	REAL300020297288	1	60	0.0	-69.92	437.55	7.84	-62.08
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@H+](CC)CC1	REAL300020297288	1	60	0.0	-63.38	441.43	7.84	-55.54
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+](CC)CC1	REAL300020297288	1	60	0.0	-69.88	437.60	7.86	-62.02
CN(CCC[NH+]1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297324	1	56	0.0	-68.51	425.96	8.02	-60.49
CN(CCC[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297325	1	53	0.0	-67.05	410.69	7.35	-59.70
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297339	1	54	0.0	-67.29	427.96	10.99	-56.30
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297340	1	51	0.0	-68.85	399.91	10.38	-58.47
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CC[NH+](C(C)(C)C)CC1	REAL300020297346	0	61	0.0	-61.32	449.69	9.50	-51.82
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CC[NH+](C(C)(C)C)CC1	REAL300020297346	1	61	0.0	-61.28	449.75	9.51	-51.77
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC[NH+](C(C)(C)C)CC1	REAL300020297347	0	58	0.0	-59.10	424.56	8.65	-50.45
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC[NH+](C(C)(C)C)CC1	REAL300020297347	1	58	0.0	-59.12	424.62	8.68	-50.44
C[NH+]1CC23CN(C4=NN=C(CCC5=N[N-]N=N5)N4CC4CC4)CC2(C1)CCCC3	REAL300020297402	0	60	0.0	-69.09	438.26	10.89	-58.20
C[NH+]1CC23CN(C4=NN=C(CCC5=NN=N[N-]5)N4CC4CC4)CC2(C1)CCCC3	REAL300020297402	1	60	0.0	-69.09	438.32	10.90	-58.19
C[NH+]1CC23CN(C4=NN=C(CC5=N[N-]N=N5)N4CC4CC4)CC2(C1)CCCC3	REAL300020297403	0	57	0.0	-68.03	421.84	10.08	-57.95
C[NH+]1CC23CN(C4=NN=C(CC5=NN=N[N-]5)N4CC4CC4)CC2(C1)CCCC3	REAL300020297403	1	57	0.0	-68.02	421.89	10.11	-57.91
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297510	0	55	0.0	-62.83	424.09	8.59	-54.24
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297510	1	55	0.0	-62.88	424.15	8.62	-54.26
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297806	0	53	0.0	-66.69	407.18	9.54	-57.15
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297806	1	53	0.0	-65.92	405.03	9.53	-56.39
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297807	0	50	0.0	-63.17	387.87	8.76	-54.41
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297807	1	50	0.0	-65.69	368.68	8.13	-57.56
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297807	1	50	0.0	-63.16	387.93	8.79	-54.37
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297807	1	50	0.0	-65.70	368.72	8.14	-57.56
C[NH+]1CC23CCCC2(CN(C2=NN=C(CCC4=N[N-]N=N4)N2CC2CC2)C3)C1	REAL300020297811	0	57	0.0	-70.12	422.02	9.44	-60.68
C[NH+]1CC23CCCC2(CN(C2=NN=C(CCC4=NN=N[N-]4)N2CC2CC2)C3)C1	REAL300020297811	1	57	0.0	-70.10	422.08	9.46	-60.64
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=N[N-]N=N4)N2CC2CC2)C3)C1	REAL300020297812	0	54	0.0	-60.81	402.35	8.80	-52.01
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=NN=N[N-]4)N2CC2CC2)C3)C1	REAL300020297812	1	54	0.0	-60.77	402.40	8.83	-51.94
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+]1C1CC1	REAL300020297845	1	53	0.0	-62.53	407.96	9.49	-53.04
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC[N@H+]1C1CC1	REAL300020297845	1	53	0.0	-62.37	404.97	9.37	-53.00
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[N@@H+]1C1CC1	REAL300020297846	0	50	0.0	-62.96	376.15	8.84	-54.12
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[N@H+]1C1CC1	REAL300020297846	1	50	0.0	-59.12	388.18	8.83	-50.29
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+]1C1CC1	REAL300020297846	1	50	0.0	-62.97	376.21	8.86	-54.11
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@H+]1C1CC1	REAL300020297846	1	50	0.0	-59.13	388.24	8.86	-50.27
OCCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297914	1	57	0.0	-67.19	450.20	5.26	-61.93
OCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297915	1	54	0.0	-64.96	428.70	4.48	-60.48
C1=CC(NC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=CC=[NH+]1	REAL300020297942	0	55	0.0	-62.19	439.14	8.29	-53.90
C1=CC(NC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=CC=[NH+]1	REAL300020297942	1	55	0.0	-62.16	439.08	8.28	-53.88
C1=CC(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=CC=[NH+]1	REAL300020297943	0	52	0.0	-67.15	406.57	7.80	-59.35
C1=CC(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=CC=[NH+]1	REAL300020297943	1	52	0.0	-67.17	406.53	7.78	-59.39
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC[C@H]([NH+]3CCOCC3)C2)N1CC1CC1	REAL300020298138	1	57	0.0	-69.51	420.34	8.07	-61.44
CC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020298139	1	56	0.0	-71.65	432.25	11.36	-60.29
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298157	0	58	0.0	-66.40	427.26	9.85	-56.55
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298157	1	58	0.0	-66.32	427.26	9.82	-56.50
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298157	1	58	0.0	-66.38	427.31	9.86	-56.52
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298157	1	58	0.0	-66.29	427.32	9.83	-56.46
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298158	0	55	0.0	-65.61	403.63	9.01	-56.60
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298158	1	55	0.0	-66.48	392.31	9.11	-57.37
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298158	1	55	0.0	-65.63	403.67	9.02	-56.61
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298158	1	55	0.0	-66.51	392.34	9.13	-57.38
C(CC1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298613	0	54	0.0	-66.08	387.52	7.00	-59.08
C(CC1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298613	1	54	0.0	-70.09	389.04	7.10	-62.99
C(CC1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298613	1	54	0.0	-66.12	387.60	7.01	-59.11
C(CC1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298613	1	54	0.0	-70.00	389.09	7.11	-62.89
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1C1CCOC1	REAL300020298614	0	51	0.0	-62.80	366.90	6.47	-56.33
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1C1CCOC1	REAL300020298614	1	51	0.0	-62.72	360.91	6.30	-56.42
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1C1CCOC1	REAL300020298614	1	51	0.0	-62.82	366.95	6.48	-56.34
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1C1CCOC1	REAL300020298614	1	51	0.0	-62.69	360.96	6.32	-56.37
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](C3CCCC3)CC2)N1C1CCOC1	REAL300020298615	0	57	0.0	-66.94	394.85	8.14	-58.80
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](C3CCCC3)CC2)N1C1CCOC1	REAL300020298615	1	57	0.0	-64.80	397.64	6.72	-58.08
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](C3CCCC3)CC2)N1C1CCOC1	REAL300020298615	1	57	0.0	-66.99	394.90	8.14	-58.85
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](C3CCCC3)CC2)N1C1CCOC1	REAL300020298615	1	57	0.0	-64.76	397.70	6.73	-58.03
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298715	0	59	0.0	-64.95	419.64	7.18	-57.77
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298715	1	59	0.0	-64.96	419.71	7.21	-57.75
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298716	0	56	0.0	-64.07	402.73	6.85	-57.22
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298716	1	56	0.0	-64.11	402.77	6.86	-57.25
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020298803	0	56	0.0	-60.92	405.76	6.78	-54.14
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020298803	1	56	0.0	-70.58	393.25	6.69	-63.89
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020298803	1	56	0.0	-60.94	405.82	6.80	-54.14
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020298803	1	56	0.0	-70.58	393.31	6.70	-63.88
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020298804	0	53	0.0	-63.68	372.21	6.67	-57.01
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020298804	1	53	0.0	-60.34	372.70	6.57	-53.77
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020298804	1	53	0.0	-63.67	372.27	6.70	-56.97
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020298804	1	53	0.0	-60.36	372.76	6.59	-53.77
CCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299024	1	57	0.0	-73.86	422.68	5.83	-68.03
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299025	1	54	0.0	-65.21	394.44	5.06	-60.15
C(CC1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299029	0	57	0.0	-72.35	410.23	7.28	-65.07
C(CC1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299029	1	57	0.0	-72.35	410.29	7.31	-65.04
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1C1CCOC1	REAL300020299030	0	54	0.0	-67.96	383.08	6.60	-61.36
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1C1CCOC1	REAL300020299030	1	54	0.0	-67.98	383.15	6.60	-61.38
C(CC1=NN=C(N2CC[NH+](C3CC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299031	1	51	0.0	-63.02	382.42	7.33	-55.69
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CC3)CC2)N1C1CCOC1	REAL300020299032	1	48	0.0	-61.58	352.42	5.69	-55.89
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299067	0	59	0.0	-70.21	426.01	7.58	-62.63
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299067	1	59	0.0	-69.72	426.17	7.58	-62.14
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299067	1	59	0.0	-70.25	426.07	7.60	-62.65
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299067	1	59	0.0	-69.69	426.22	7.59	-62.10
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299068	0	56	0.0	-69.25	401.84	6.99	-62.26
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299068	1	56	0.0	-71.19	404.43	7.17	-64.02
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299068	1	56	0.0	-69.27	401.88	6.99	-62.28
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299068	1	56	0.0	-71.21	404.49	7.19	-64.02
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299112	0	56	0.0	-76.61	407.72	5.54	-71.07
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299112	1	56	0.0	-76.60	407.78	5.56	-71.04
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299113	0	53	0.0	-74.07	382.37	4.61	-69.46
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299113	1	53	0.0	-74.04	382.43	4.62	-69.42
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299145	0	56	0.0	-73.11	407.45	7.10	-66.01
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299145	1	56	0.0	-73.10	407.51	7.11	-65.99
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299146	0	53	0.0	-64.01	378.43	6.35	-57.66
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299146	1	53	0.0	-63.99	378.49	6.35	-57.64
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CCCO3)CC2)N1C1CCOC1	REAL300020299149	1	55	0.0	-67.44	408.22	6.38	-61.06
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299152	0	59	0.0	-72.46	416.85	7.30	-65.16
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299152	1	59	0.0	-72.40	416.91	7.32	-65.08
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299153	0	56	0.0	-69.84	391.21	6.36	-63.48
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299153	1	56	0.0	-69.80	391.26	6.38	-63.42
C(CC1=NN=C(N2CC[NH+](C3CCC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299163	0	54	0.0	-70.91	400.31	7.16	-63.75
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1C1CCOC1	REAL300020299164	0	51	0.0	-68.34	371.91	6.09	-62.25
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1C1CCOC1	REAL300020299164	1	51	0.0	-68.37	371.97	6.09	-62.28
C(CC1=NN=C(N2CC[NH+](CC3CC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299209	0	54	0.0	-73.52	397.39	6.97	-66.55
C(CC1=NN=C(N2CC[NH+](CC3CC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299209	1	54	0.0	-73.59	397.45	6.98	-66.61
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1C1CCOC1	REAL300020299210	0	51	0.0	-64.30	369.08	6.18	-58.12
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1C1CCOC1	REAL300020299210	1	51	0.0	-64.26	369.14	6.20	-58.06
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299228	1	57	0.0	-66.16	413.12	5.63	-60.53
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299228	1	57	0.0	-66.45	411.63	5.43	-61.02
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1[NH+]1CCOCC1	REAL300020299229	1	55	0.0	-74.13	379.93	3.80	-70.33
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299252	0	59	0.0	-70.13	412.37	7.55	-62.58
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299252	1	59	0.0	-68.54	420.82	7.39	-61.15
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299252	1	59	0.0	-70.20	412.43	7.56	-62.64
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299252	1	59	0.0	-68.58	420.88	7.41	-61.17
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299263	0	59	0.0	-65.72	417.49	7.36	-58.36
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299263	1	59	0.0	-65.74	417.54	7.36	-58.38
C(CC1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299286	0	54	0.0	-68.15	386.88	6.41	-61.74
C(CC1=NN=C(N2CC[N@H+]3CCCCC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299286	1	54	0.0	-70.68	382.41	5.86	-64.82
C(CC1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299286	1	54	0.0	-68.11	386.97	6.43	-61.68
C(CC1=NN=C(N2CC[N@H+]3CCCCC3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299286	1	54	0.0	-70.68	382.48	5.88	-64.80
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1C1CCOC1	REAL300020299287	0	51	0.0	-63.89	370.68	5.93	-57.96
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1C1CCOC1	REAL300020299287	1	51	0.0	-68.53	361.59	5.21	-63.32
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1C1CCOC1	REAL300020299287	1	51	0.0	-63.88	370.76	5.93	-57.95
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1C1CCOC1	REAL300020299287	1	51	0.0	-68.55	361.64	5.21	-63.34
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCCC3)CC2)N1C1CCOC1	REAL300020299310	0	57	0.0	-67.76	397.44	7.28	-60.48
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCCC3)CC2)N1C1CCOC1	REAL300020299310	1	57	0.0	-67.77	397.50	7.29	-60.48
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C[NH+]3CCOCC3)C2)N1C1CCOC1	REAL300020299320	1	55	0.0	-82.30	392.87	4.51	-77.79
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C[NH+]3CCCCC3)C2)N1C1CCOC1	REAL300020299326	0	57	0.0	-67.53	404.30	7.45	-60.08
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C[NH+]3CCCCC3)C2)N1C1CCOC1	REAL300020299326	1	57	0.0	-67.49	404.34	7.46	-60.03
C(CC1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299401	0	57	0.0	-65.09	407.83	7.22	-57.87
C(CC1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299401	1	57	0.0	-65.08	407.89	7.24	-57.84
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1C1CCOC1	REAL300020299402	0	54	0.0	-62.97	383.56	6.66	-56.31
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1C1CCOC1	REAL300020299402	1	54	0.0	-63.01	383.61	6.67	-56.34
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299416	0	59	0.0	-66.77	409.48	6.90	-59.87
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299416	1	59	0.0	-66.80	409.54	6.92	-59.88
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299417	0	56	0.0	-75.33	388.82	5.92	-69.41
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299417	1	56	0.0	-75.36	388.87	5.94	-69.42
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CC4CCC3C4)CC2)N1C1CCOC1	REAL300020299430	0	58	0.0	-64.83	411.35	8.73	-56.10
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CC4CCC3C4)CC2)N1C1CCOC1	REAL300020299430	1	58	0.0	-64.86	411.43	8.76	-56.10
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC([NH+]3CCCCC3)C2)N1C1CCOC1	REAL300020299448	0	57	0.0	-60.22	410.77	8.51	-51.71
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC([NH+]3CCCCC3)C2)N1C1CCOC1	REAL300020299448	1	57	0.0	-60.22	410.83	8.54	-51.68
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H](C)O1	REAL300020299478	1	57	0.0	-68.35	411.46	5.30	-63.05
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H](C)O1	REAL300020299478	1	57	0.0	-65.93	416.16	5.23	-60.70
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CCOC3)CC2)N1C1CCOC1	REAL300020299533	0	55	0.0	-70.70	396.01	5.07	-65.63
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CCOC3)CC2)N1C1CCOC1	REAL300020299533	1	55	0.0	-70.64	396.06	5.07	-65.57
C(CC1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299594	0	57	0.0	-64.93	418.00	8.61	-56.32
C(CC1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299594	1	57	0.0	-64.91	418.05	8.62	-56.29
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1C1CCOC1	REAL300020299595	0	54	0.0	-59.67	395.43	6.73	-52.94
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1C1CCOC1	REAL300020299595	1	54	0.0	-59.68	395.47	6.74	-52.94
COCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299647	1	54	0.0	-73.72	401.18	4.88	-68.84
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299648	1	51	0.0	-65.10	372.58	4.10	-61.00
CC(C)OCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299656	1	57	0.0	-65.35	414.72	5.81	-59.54
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCOCC3)CC2)N1C1CCOC1	REAL300020299662	0	55	0.0	-66.22	390.42	4.90	-61.32
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCOCC3)CC2)N1C1CCOC1	REAL300020299662	1	55	0.0	-66.23	390.47	4.91	-61.32
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299694	0	56	0.0	-69.00	397.89	6.43	-62.57
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299694	1	56	0.0	-68.99	397.94	6.45	-62.54
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299695	0	53	0.0	-59.16	374.81	5.67	-53.49
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299695	1	53	0.0	-59.10	374.87	5.70	-53.40
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299725	0	53	0.0	-70.55	385.57	6.21	-64.34
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299725	1	53	0.0	-75.09	375.25	5.83	-69.26
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299726	0	50	0.0	-65.83	364.59	5.82	-60.01
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299726	1	50	0.0	-65.11	364.02	5.66	-59.45
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020299726	1	50	0.0	-65.81	364.56	5.81	-60.00
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020299726	1	50	0.0	-65.09	363.96	5.65	-59.44
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCCCC3)CC2)N1C1CCOC1	REAL300020299783	0	57	0.0	-69.20	401.87	7.15	-62.05
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCCCC3)CC2)N1C1CCOC1	REAL300020299783	1	57	0.0	-69.16	401.94	7.16	-62.00
C(CC1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299784	0	57	0.0	-72.07	411.62	7.60	-64.47
C(CC1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299784	1	57	0.0	-72.03	411.66	7.61	-64.42
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1C1CCOC1	REAL300020299785	0	54	0.0	-69.03	387.19	6.65	-62.38
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1C1CCOC1	REAL300020299785	1	54	0.0	-69.12	387.25	6.66	-62.46
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299786	0	53	0.0	-71.00	385.49	6.23	-64.77
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299787	0	50	0.0	-67.85	360.24	5.30	-62.55
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299787	1	50	0.0	-67.85	360.31	5.31	-62.54
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299813	0	56	0.0	-70.65	399.58	6.80	-63.85
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299813	1	56	0.0	-70.68	399.64	6.80	-63.88
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299814	0	53	0.0	-62.11	374.97	6.06	-56.05
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299814	1	53	0.0	-62.13	375.03	6.06	-56.07
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC[N@@H+](C2CCC2)C1	REAL300020299826	0	57	0.0	-69.27	408.05	7.79	-61.48
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC[N@H+](C2CCC2)C1	REAL300020299826	1	57	0.0	-67.20	400.54	7.54	-59.66
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[N@@H+](C2CCC2)C1	REAL300020299826	1	57	0.0	-69.29	408.10	7.79	-61.50
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[N@H+](C2CCC2)C1	REAL300020299826	1	57	0.0	-67.19	400.60	7.55	-59.64
C1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020299831	1	54	0.0	-67.94	399.71	7.87	-60.07
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299834	0	56	0.0	-71.08	390.92	7.64	-63.44
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299834	1	56	0.0	-68.93	394.88	5.97	-62.96
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299834	1	56	0.0	-71.06	390.99	7.65	-63.41
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299834	1	56	0.0	-68.97	394.94	6.00	-62.97
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299835	0	53	0.0	-69.69	376.64	6.70	-62.99
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299835	1	53	0.0	-64.71	369.47	5.96	-58.75
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299835	1	53	0.0	-69.69	376.69	6.71	-62.98
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299835	1	53	0.0	-64.71	369.52	5.98	-58.73
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299836	0	59	0.0	-68.14	405.41	6.47	-61.67
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299836	1	59	0.0	-61.85	402.11	7.30	-54.55
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299836	1	59	0.0	-68.13	405.47	6.48	-61.65
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299836	1	59	0.0	-61.86	402.17	7.32	-54.54
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299837	0	56	0.0	-61.53	382.55	6.70	-54.83
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299837	1	56	0.0	-64.06	386.23	6.44	-57.62
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299837	1	56	0.0	-61.51	382.61	6.71	-54.80
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299837	1	56	0.0	-64.05	386.29	6.45	-57.60
COCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299951	0	57	0.0	-67.52	404.21	4.72	-62.80
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C	REAL300020299982	0	57	0.0	-66.08	402.06	4.96	-61.12
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C	REAL300020299982	1	57	0.0	-66.88	400.47	4.74	-62.14
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299998	0	59	0.0	-69.27	412.00	6.92	-62.35
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299998	1	59	0.0	-69.25	411.95	6.91	-62.34
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299999	0	56	0.0	-66.26	386.76	5.98	-60.28
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299999	1	56	0.0	-66.21	386.82	5.99	-60.22
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300010	0	56	0.0	-65.55	402.73	6.77	-58.78
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300010	1	56	0.0	-65.56	402.80	6.78	-58.78
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300011	0	53	0.0	-64.50	386.76	6.70	-57.80
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300011	1	53	0.0	-64.48	386.82	6.73	-57.75
C1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020300017	1	54	0.0	-67.94	399.71	7.87	-60.07
C(CC1=NN=C(N2CC[NH+](C3CCOC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300066	1	55	0.0	-76.14	402.32	5.04	-71.10
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCOC3)CC2)N1C1CCOC1	REAL300020300067	1	52	0.0	-66.88	374.07	4.28	-62.60
C[NH+](C)CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300248	0	57	0.0	-68.36	423.05	5.78	-62.58
C[NH+](C)CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300248	1	57	0.0	-68.33	423.10	5.78	-62.55
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300290	0	59	0.0	-66.47	410.42	8.22	-58.25
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300290	1	59	0.0	-66.46	410.48	8.24	-58.22
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300291	0	56	0.0	-69.83	369.25	5.71	-64.12
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300291	1	56	0.0	-69.86	369.30	5.71	-64.15
CC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300296	0	57	0.0	-65.75	397.69	7.50	-58.25
CC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300296	1	57	0.0	-65.78	397.75	7.53	-58.25
C[NH+]1CCC(N2C=C(NC3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C=N2)CC1	REAL300020300326	0	54	0.0	-79.16	412.85	7.50	-71.66
C[NH+]1CCC(N2C=C(NC3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C=N2)CC1	REAL300020300326	1	54	0.0	-79.15	412.79	7.48	-71.67
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC21	REAL300020300356	0	54	0.0	-69.07	388.73	7.12	-61.95
C[N@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC21	REAL300020300356	1	54	0.0	-68.83	393.27	7.40	-61.43
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC21	REAL300020300356	1	54	0.0	-69.08	388.78	7.13	-61.95
C[N@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC21	REAL300020300356	1	54	0.0	-68.81	393.33	7.41	-61.40
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC21	REAL300020300357	0	51	0.0	-73.02	359.35	4.88	-68.14
C[N@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC21	REAL300020300357	1	51	0.0	-67.95	372.92	6.70	-61.25
C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC21	REAL300020300357	1	51	0.0	-73.03	359.40	4.89	-68.14
C[N@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC21	REAL300020300357	1	51	0.0	-67.93	372.97	6.73	-61.20
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC[N@@H+]1C	REAL300020300362	0	56	0.0	-66.86	401.15	7.63	-59.23
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC[N@H+]1C	REAL300020300362	1	56	0.0	-71.64	397.15	7.69	-63.95
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC[N@@H+]1C	REAL300020300362	1	56	0.0	-66.88	401.21	7.65	-59.23
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC[N@H+]1C	REAL300020300362	1	56	0.0	-71.63	397.16	7.70	-63.93
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC[N@@H+]1C	REAL300020300363	0	53	0.0	-62.51	379.62	6.82	-55.69
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC[N@H+]1C	REAL300020300363	1	53	0.0	-71.00	374.23	6.24	-64.76
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[N@@H+]1C	REAL300020300363	1	53	0.0	-62.56	379.68	6.85	-55.71
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[N@H+]1C	REAL300020300363	1	53	0.0	-71.01	374.28	6.25	-64.76
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=C[NH+]=C21	REAL300020300385	1	53	0.0	-64.53	384.26	4.50	-60.03
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=C[NH+]=C21	REAL300020300386	1	50	0.0	-66.12	358.02	4.31	-61.81
C[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300422	0	53	0.0	-68.16	377.83	5.93	-62.23
C[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300422	1	53	0.0	-69.19	378.84	7.00	-62.19
C[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300423	0	50	0.0	-68.50	345.53	4.79	-63.71
C[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300423	1	50	0.0	-66.56	349.99	5.32	-61.24
C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300423	1	50	0.0	-68.50	345.57	4.79	-63.71
C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300423	1	50	0.0	-66.60	350.06	5.32	-61.28
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300505	0	57	0.0	-67.25	398.52	7.68	-59.57
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300505	1	57	0.0	-67.28	398.59	7.71	-59.57
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300539	0	54	0.0	-70.64	390.18	5.76	-64.88
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300539	1	54	0.0	-76.45	388.44	7.03	-69.42
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300539	1	54	0.0	-70.65	390.24	5.78	-64.87
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300539	1	54	0.0	-76.46	388.50	7.05	-69.41
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300540	0	51	0.0	-68.89	369.98	5.55	-63.34
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300540	1	51	0.0	-67.94	363.49	5.79	-62.15
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300540	1	51	0.0	-68.89	370.04	5.56	-63.33
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300540	1	51	0.0	-66.03	360.61	5.91	-60.12
CC[N@@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300638	0	56	0.0	-66.32	392.70	6.44	-59.88
CC[N@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300638	1	56	0.0	-72.25	391.30	6.25	-66.00
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300638	1	56	0.0	-66.31	392.75	6.46	-59.85
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300638	1	56	0.0	-72.25	391.36	6.26	-65.99
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300639	0	53	0.0	-59.71	368.86	6.00	-53.71
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300639	1	53	0.0	-64.95	375.93	6.37	-58.58
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300639	1	53	0.0	-59.67	368.92	6.01	-53.66
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300639	1	53	0.0	-64.93	375.98	6.38	-58.55
C[NH+](C)C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2C1	REAL300020300724	0	57	0.0	-66.30	391.60	7.08	-59.22
C[NH+](C)C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2C1	REAL300020300724	1	57	0.0	-66.34	391.64	7.08	-59.26
CN(CCC[NH+]1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300763	1	57	0.0	-70.13	416.71	5.21	-64.92
CN(CCC[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300764	1	54	0.0	-74.70	399.65	5.06	-69.64
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300775	1	55	0.0	-72.63	413.58	8.29	-64.34
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300776	1	52	0.0	-65.85	386.52	7.54	-58.31
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC[NH+](C(C)(C)C)CC1	REAL300020300779	0	59	0.0	-59.93	411.67	6.83	-53.10
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC[NH+](C(C)(C)C)CC1	REAL300020300779	1	59	0.0	-59.97	411.74	6.84	-53.13
C[NH+]1CC23CN(C4=NN=C(CC5=N[N-]N=N5)N4C4CCOC4)CC2(C1)CCCC3	REAL300020300820	0	58	0.0	-63.16	400.09	6.68	-56.48
C[NH+]1CC23CN(C4=NN=C(CC5=NN=N[N-]5)N4C4CCOC4)CC2(C1)CCCC3	REAL300020300820	1	58	0.0	-63.17	400.15	6.68	-56.49
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301119	0	54	0.0	-72.75	389.29	7.46	-65.29
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301119	1	54	0.0	-69.44	387.97	5.96	-63.48
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301120	0	51	0.0	-68.90	371.47	6.75	-62.15
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301120	1	51	0.0	-70.80	363.55	6.58	-64.22
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301120	1	51	0.0	-68.92	371.52	6.75	-62.17
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301120	1	51	0.0	-70.82	363.59	6.60	-64.22
C[NH+]1CC23CCCC2(CN(C2=NN=C(CCC4=N[N-]N=N4)N2C2CCOC2)C3)C1	REAL300020301123	0	58	0.0	-73.93	413.20	7.59	-66.34
C[NH+]1CC23CCCC2(CN(C2=NN=C(CCC4=NN=N[N-]4)N2C2CCOC2)C3)C1	REAL300020301123	1	58	0.0	-73.97	413.25	7.60	-66.37
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=N[N-]N=N4)N2C2CCOC2)C3)C1	REAL300020301124	0	55	0.0	-74.30	387.72	6.65	-67.65
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=NN=N[N-]4)N2C2CCOC2)C3)C1	REAL300020301124	1	55	0.0	-74.30	387.77	6.66	-67.64
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC[N@@H+]1C1CC1	REAL300020301151	1	54	0.0	-68.57	394.94	7.68	-60.89
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC[N@H+]1C1CC1	REAL300020301151	1	54	0.0	-66.47	389.65	6.78	-59.69
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[N@@H+]1C1CC1	REAL300020301152	1	51	0.0	-61.42	377.51	6.07	-55.35
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[N@H+]1C1CC1	REAL300020301152	1	51	0.0	-66.45	368.56	6.15	-60.30
OCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301201	1	55	0.0	-66.81	405.81	1.95	-64.86
C1=CC(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=CC=[NH+]1	REAL300020301222	0	53	0.0	-68.72	398.29	4.85	-63.87
C1=CC(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=CC=[NH+]1	REAL300020301222	1	53	0.0	-68.76	398.24	4.85	-63.91
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301374	0	59	0.0	-73.03	415.53	7.16	-65.87
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301374	1	59	0.0	-73.09	415.78	7.13	-65.96
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301374	1	59	0.0	-73.00	415.58	7.18	-65.82
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301374	1	59	0.0	-73.13	415.83	7.14	-65.99
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301375	0	56	0.0	-69.91	390.87	6.23	-63.68
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301375	1	56	0.0	-67.38	387.02	6.39	-60.99
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301375	1	56	0.0	-69.89	390.92	6.24	-63.65
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301375	1	56	0.0	-67.35	387.08	6.39	-60.96
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)=NO1	REAL300020301656	0	55	0.0	-74.79	420.73	9.36	-65.43
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[N@H+](C3CC3)CC2)=NO1	REAL300020301656	1	55	0.0	-73.44	419.76	9.14	-64.30
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)=NO1	REAL300020301656	1	55	0.0	-74.79	420.78	9.37	-65.42
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[N@H+](C3CC3)CC2)=NO1	REAL300020301656	1	55	0.0	-73.43	419.82	9.15	-64.28
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)=NO1	REAL300020301657	0	52	0.0	-58.85	413.25	8.64	-50.21
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[N@H+](C3CC3)CC2)=NO1	REAL300020301657	1	52	0.0	-58.47	394.57	8.53	-49.94
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)=NO1	REAL300020301657	1	52	0.0	-58.85	413.31	8.68	-50.17
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[N@H+](C3CC3)CC2)=NO1	REAL300020301657	1	52	0.0	-58.49	394.62	8.55	-49.94
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1C	REAL300020301759	0	54	0.0	-75.49	389.10	8.83	-66.66
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1C	REAL300020301759	1	54	0.0	-75.00	402.68	8.77	-66.23
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020301759	1	54	0.0	-75.48	389.13	8.83	-66.65
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020301759	1	54	0.0	-74.99	402.74	8.78	-66.21
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC([NH+]3CCCC3)CC2)=NO1	REAL300020301870	0	55	0.0	-73.85	424.70	8.87	-64.98
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC([NH+]3CCCC3)CC2)=NO1	REAL300020301870	1	55	0.0	-73.84	424.75	8.90	-64.94
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CC3)CC2)=NO1	REAL300020301871	1	52	0.0	-73.08	415.69	8.67	-64.41
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CC3)CC2)=NO1	REAL300020301872	1	49	0.0	-67.45	399.57	7.77	-59.68
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC([NH2+]C(C)C)CC2)=NO1	REAL300020301907	0	54	0.0	-67.07	423.47	6.90	-60.17
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC([NH2+]C(C)C)CC2)=NO1	REAL300020301907	1	54	0.0	-67.09	423.52	6.91	-60.18
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](CC(C)C)CC2)=NO1	REAL300020301928	0	54	0.0	-76.08	420.42	8.97	-67.11
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](CC(C)C)CC2)=NO1	REAL300020301928	1	54	0.0	-76.09	420.47	8.99	-67.10
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CCC3)CC2)=NO1	REAL300020301938	0	55	0.0	-74.95	431.84	9.45	-65.50
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](C3CCC3)CC2)=NO1	REAL300020301939	0	52	0.0	-68.66	414.22	8.53	-60.13
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CCC3)CC2)=NO1	REAL300020301939	1	52	0.0	-68.69	414.28	8.56	-60.13
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[NH+](CC3CC3)CC2)=NO1	REAL300020301964	0	55	0.0	-75.37	440.92	9.35	-66.02
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[NH+](CC3CC3)CC2)=NO1	REAL300020301964	1	55	0.0	-75.34	440.98	9.37	-65.97
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](CC3CC3)CC2)=NO1	REAL300020301965	0	52	0.0	-72.26	414.27	8.80	-63.46
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](CC3CC3)CC2)=NO1	REAL300020301965	1	52	0.0	-72.24	414.32	8.83	-63.41
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=NO1	REAL300020302001	0	55	0.0	-60.56	431.52	8.79	-51.77
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[N@H+]3CCCCC3C2)=NO1	REAL300020302001	1	55	0.0	-80.01	417.23	8.23	-71.78
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=NO1	REAL300020302001	1	55	0.0	-60.54	431.57	8.80	-51.74
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@H+]3CCCCC3C2)=NO1	REAL300020302001	1	55	0.0	-80.02	417.29	8.25	-71.77
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=NO1	REAL300020302002	0	52	0.0	-75.69	390.93	8.73	-66.96
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@H+]3CCCCC3C2)=NO1	REAL300020302002	1	52	0.0	-80.94	386.67	8.20	-72.74
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=NO1	REAL300020302002	1	52	0.0	-75.71	390.98	8.74	-66.97
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@H+]3CCCCC3C2)=NO1	REAL300020302002	1	52	0.0	-80.95	386.71	8.21	-72.74
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC([NH+]3CCCCC3)C2)=NO1	REAL300020302067	0	55	0.0	-75.18	414.50	9.63	-65.55
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC([NH+]3CCCCC3)C2)=NO1	REAL300020302067	1	55	0.0	-75.21	414.55	9.63	-65.58
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC([NH+]3CCCC3)C2)=NO1	REAL300020302169	0	55	0.0	-67.04	420.24	8.64	-58.40
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC([NH+]3CCCC3)C2)=NO1	REAL300020302169	1	55	0.0	-67.05	420.30	8.67	-58.38
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302182	1	52	0.0	-77.62	413.93	6.78	-70.84
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](C(C)(C)C)CC2)=NO1	REAL300020302204	0	54	0.0	-71.79	410.52	8.27	-63.52
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C(C)(C)C)CC2)=NO1	REAL300020302204	1	54	0.0	-71.81	410.57	8.29	-63.52
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020302217	0	54	0.0	-73.12	420.84	8.41	-64.71
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020302217	1	54	0.0	-75.35	414.94	8.25	-67.10
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020302218	0	51	0.0	-58.12	405.30	7.57	-50.55
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020302218	1	51	0.0	-73.01	388.79	7.63	-65.38
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1C	REAL300020302218	1	51	0.0	-58.12	405.23	7.55	-50.57
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1C	REAL300020302218	1	51	0.0	-73.02	388.74	7.61	-65.41
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](C3CCCC3)CC2)=NO1	REAL300020302251	0	55	0.0	-59.89	428.42	8.94	-50.95
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CCCC3)CC2)=NO1	REAL300020302251	1	55	0.0	-59.84	428.47	8.97	-50.87
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[NH+](C(C)C)CC2)=NO1	REAL300020302252	0	54	0.0	-72.11	422.27	8.09	-64.02
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](C(C)C)CC2)=NO1	REAL300020302253	0	51	0.0	-73.78	394.28	7.82	-65.96
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C(C)C)CC2)=NO1	REAL300020302253	1	51	0.0	-73.82	394.33	7.83	-65.99
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302273	0	54	0.0	-74.10	412.27	8.67	-65.43
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302273	1	54	0.0	-74.13	412.32	8.69	-65.44
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[N@@H+](C(C)C)CC2)=NO1	REAL300020302282	0	54	0.0	-59.71	413.57	8.31	-51.40
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[N@H+](C(C)C)CC2)=NO1	REAL300020302282	1	54	0.0	-69.94	403.05	8.14	-61.80
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[N@@H+](C(C)C)CC2)=NO1	REAL300020302282	1	54	0.0	-59.72	413.61	8.32	-51.40
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[N@H+](C(C)C)CC2)=NO1	REAL300020302282	1	54	0.0	-69.96	403.10	8.17	-61.79
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC[NH+]2CCCCC2)=NO1	REAL300020302381	0	54	0.0	-62.70	422.57	8.45	-54.25
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC[NH+]2CCCCC2)=NO1	REAL300020302381	1	54	0.0	-62.70	422.61	8.47	-54.23
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3C(CC[N@H+]3C)C2)=NO1	REAL300020302558	0	55	0.0	-65.05	429.10	8.45	-56.60
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3C(CC[N@@H+]3C)C2)=NO1	REAL300020302558	1	55	0.0	-83.48	415.59	7.90	-75.58
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3C(CC[N@H+]3C)C2)=NO1	REAL300020302558	1	55	0.0	-65.05	429.15	8.46	-56.59
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3C(CC[N@@H+]3C)C2)=NO1	REAL300020302558	1	55	0.0	-83.46	415.65	7.92	-75.54
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3C(CC[N@H+]3C)C2)=NO1	REAL300020302559	0	52	0.0	-79.75	407.14	8.40	-71.35
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3C(CC[N@@H+]3C)C2)=NO1	REAL300020302559	1	52	0.0	-86.62	385.13	7.85	-78.77
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3C(CC[N@H+]3C)C2)=NO1	REAL300020302559	1	52	0.0	-79.78	407.20	8.43	-71.35
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3C(CC[N@@H+]3C)C2)=NO1	REAL300020302559	1	52	0.0	-86.62	385.18	7.85	-78.77
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@H+](C)[C@@H](C(C)C)C2)=NO1	REAL300020302562	0	54	0.0	-65.39	413.84	8.23	-57.16
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@@H+](C)[C@@H](C(C)C)C2)=NO1	REAL300020302562	1	54	0.0	-75.52	403.80	7.69	-67.83
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@H+](C)[C@@H](C(C)C)C2)=NO1	REAL300020302562	1	54	0.0	-65.39	413.80	8.21	-57.18
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@@H+](C)[C@@H](C(C)C)C2)=NO1	REAL300020302562	1	54	0.0	-75.53	403.74	7.66	-67.87
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@@H+](C)C(C)(C)C2)=NO1	REAL300020302592	0	54	0.0	-59.67	418.62	8.22	-51.45
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@H+](C)C(C)(C)C2)=NO1	REAL300020302592	1	54	0.0	-61.99	420.35	8.27	-53.72
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@@H+](C)C(C)(C)C2)=NO1	REAL300020302593	0	51	0.0	-59.15	395.04	7.51	-51.64
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@H+](C)C(C)(C)C2)=NO1	REAL300020302593	1	51	0.0	-74.13	387.05	7.42	-66.71
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@@H+](C)C(C)(C)C2)=NO1	REAL300020302593	1	51	0.0	-59.13	395.00	7.49	-51.64
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@H+](C)C(C)(C)C2)=NO1	REAL300020302593	1	51	0.0	-74.13	387.00	7.39	-66.74
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302650	0	55	0.0	-77.05	425.76	8.09	-68.96
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302650	1	55	0.0	-62.40	431.96	8.90	-53.50
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302650	1	55	0.0	-77.02	425.82	8.10	-68.92
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302650	1	55	0.0	-62.39	432.01	8.91	-53.48
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302651	0	52	0.0	-64.35	407.22	7.56	-56.79
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302651	1	52	0.0	-73.90	404.21	7.27	-66.63
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302651	1	52	0.0	-64.36	407.28	7.58	-56.78
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302651	1	52	0.0	-73.88	404.27	7.30	-66.58
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1(C)C	REAL300020302698	0	54	0.0	-56.98	412.89	8.11	-48.87
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1(C)C	REAL300020302698	1	54	0.0	-58.83	412.69	8.13	-50.70
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1(C)C	REAL300020302698	1	54	0.0	-57.02	412.93	8.14	-48.88
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1(C)C	REAL300020302698	1	54	0.0	-58.85	412.74	8.16	-50.69
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302933	0	55	0.0	-78.28	422.05	8.25	-70.03
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302933	1	55	0.0	-77.93	422.01	9.21	-68.72
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302934	0	52	0.0	-73.11	400.55	7.46	-65.65
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302934	1	52	0.0	-78.83	391.29	9.16	-69.67
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302934	1	52	0.0	-73.11	400.50	7.44	-65.67
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302934	1	52	0.0	-78.81	391.25	9.16	-69.65
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@H+](C3CC3)C(C)C2)=NO1	REAL300020302950	1	55	0.0	-74.52	420.92	9.10	-65.42
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@@H+](C3CC3)C(C)C2)=NO1	REAL300020302950	1	55	0.0	-73.19	429.26	9.40	-63.79
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@H+](C3CC3)C(C)C2)=NO1	REAL300020302951	1	52	0.0	-72.78	397.79	8.90	-63.88
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@@H+](C3CC3)C(C)C2)=NO1	REAL300020302951	1	52	0.0	-72.52	406.41	8.94	-63.58
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020303142	0	55	0.0	-68.51	414.80	10.05	-58.46
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020303142	1	55	0.0	-69.46	417.63	10.82	-58.64
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020303142	1	55	0.0	-68.52	414.85	10.07	-58.45
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020303142	1	55	0.0	-69.47	417.68	10.83	-58.64
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020303143	0	52	0.0	-69.01	388.84	8.93	-60.08
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020303143	1	52	0.0	-65.94	403.31	9.71	-56.23
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020303143	1	52	0.0	-69.01	388.90	8.95	-60.06
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020303143	1	52	0.0	-65.93	403.36	9.73	-56.20
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303337	0	56	0.0	-68.44	426.42	6.94	-61.50
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303337	1	56	0.0	-68.50	416.92	6.81	-61.69
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303337	1	56	0.0	-68.46	426.48	6.96	-61.50
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303337	1	56	0.0	-68.54	416.98	6.82	-61.72
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303338	0	53	0.0	-67.98	400.98	6.19	-61.79
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303338	1	53	0.0	-66.22	395.40	6.02	-60.20
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303338	1	53	0.0	-67.98	401.03	6.21	-61.77
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303338	1	53	0.0	-66.20	395.46	6.05	-60.15
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020303391	0	55	0.0	-63.24	421.58	9.95	-53.29
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020303391	1	55	0.0	-64.73	415.67	10.06	-54.67
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020303391	1	55	0.0	-63.24	421.63	9.98	-53.26
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020303391	1	55	0.0	-64.76	415.73	10.09	-54.67
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020303506	0	53	0.0	-72.68	414.40	9.61	-63.07
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020303506	1	53	0.0	-63.43	415.83	9.74	-53.69
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020303506	1	53	0.0	-72.72	414.45	9.64	-63.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020303506	1	53	0.0	-63.40	415.88	9.77	-53.63
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020303528	0	49	0.0	-63.71	371.56	8.64	-55.07
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020303528	1	49	0.0	-62.14	375.54	7.83	-54.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020303528	1	49	0.0	-63.72	371.61	8.65	-55.07
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020303528	1	49	0.0	-62.19	375.60	7.85	-54.34
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020303529	0	46	0.0	-60.90	357.37	7.55	-53.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020303529	1	46	0.0	-61.81	341.86	6.78	-55.03
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020303529	1	46	0.0	-60.92	357.43	7.57	-53.35
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020303529	1	46	0.0	-61.80	341.92	6.80	-55.00
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020303530	0	53	0.0	-68.30	411.25	10.40	-57.90
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020303530	1	53	0.0	-66.96	411.33	10.22	-56.74
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020303530	1	53	0.0	-68.29	411.27	10.37	-57.92
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020303530	1	53	0.0	-66.92	411.38	10.21	-56.71
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020303531	0	55	0.0	-64.89	410.23	9.39	-55.50
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020303531	1	55	0.0	-63.33	399.47	9.01	-54.32
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020303531	1	55	0.0	-64.92	410.17	9.37	-55.55
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020303531	1	55	0.0	-63.28	399.41	8.99	-54.29
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020303532	0	52	0.0	-62.75	380.12	8.25	-54.50
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020303532	1	52	0.0	-61.11	378.53	7.80	-53.31
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020303532	1	52	0.0	-62.76	380.18	8.28	-54.48
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020303532	1	52	0.0	-61.08	378.59	7.83	-53.25
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020303609	0	55	0.0	-68.62	431.42	9.43	-59.19
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020303609	1	55	0.0	-68.68	431.47	9.46	-59.22
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020303665	0	55	0.0	-67.62	411.74	9.51	-58.11
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020303665	1	55	0.0	-65.94	422.05	8.75	-57.19
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020303665	1	55	0.0	-67.65	411.80	9.55	-58.10
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020303665	1	55	0.0	-65.99	422.11	8.78	-57.21
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303685	0	54	0.0	-64.77	415.59	8.05	-56.72
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303685	1	54	0.0	-64.82	415.64	8.07	-56.75
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303686	0	51	0.0	-59.61	388.30	7.22	-52.39
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303686	1	51	0.0	-59.60	388.35	7.24	-52.36
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020303687	0	58	0.0	-60.98	410.78	9.79	-51.19
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020303687	1	58	0.0	-65.83	426.12	10.18	-55.65
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020303687	1	58	0.0	-61.00	410.83	9.82	-51.18
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020303687	1	58	0.0	-65.81	426.18	10.21	-55.60
C[N@@H+]1CCCC1C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303787	0	53	0.0	-65.89	413.39	6.78	-59.11
C[N@H+]1CCCC1C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303787	1	53	0.0	-63.19	411.60	6.72	-56.47
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303802	0	55	0.0	-65.01	415.33	9.95	-55.06
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303802	1	55	0.0	-63.57	418.47	10.10	-53.47
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303802	1	55	0.0	-65.04	415.37	9.97	-55.07
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303802	1	55	0.0	-63.55	418.52	10.12	-53.43
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1C	REAL300020303803	0	51	0.0	-64.16	371.27	8.06	-56.10
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1C	REAL300020303803	1	51	0.0	-63.18	380.43	8.05	-55.13
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C	REAL300020303803	1	51	0.0	-64.19	371.33	8.08	-56.11
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C	REAL300020303803	1	51	0.0	-63.19	380.49	8.06	-55.13
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C	REAL300020303804	0	48	0.0	-61.37	354.57	7.25	-54.12
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C	REAL300020303804	1	48	0.0	-59.86	342.93	7.38	-52.48
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C	REAL300020303804	1	48	0.0	-61.38	354.63	7.27	-54.11
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C	REAL300020303804	1	48	0.0	-59.89	342.98	7.40	-52.49
CC[N@@H+]1CC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1C	REAL300020303805	0	55	0.0	-69.56	401.85	9.77	-59.79
CC[N@H+]1CC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1C	REAL300020303805	1	55	0.0	-69.24	397.83	9.98	-59.26
CC[N@@H+]1CC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1C	REAL300020303805	1	55	0.0	-69.56	401.88	9.76	-59.80
CC[N@H+]1CC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1C	REAL300020303805	1	55	0.0	-69.26	397.85	9.97	-59.29
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020303827	1	56	0.0	-67.89	426.69	7.78	-60.11
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020303828	1	53	0.0	-65.24	409.02	7.14	-58.10
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303838	0	56	0.0	-67.74	414.19	7.26	-60.48
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303838	1	56	0.0	-68.02	424.24	6.42	-61.60
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303838	1	56	0.0	-67.78	414.25	7.27	-60.51
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303838	1	56	0.0	-68.06	424.30	6.43	-61.63
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303839	0	53	0.0	-64.55	379.80	6.66	-57.89
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303839	1	53	0.0	-67.98	401.30	5.82	-62.16
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303839	1	53	0.0	-64.55	379.85	6.67	-57.88
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303839	1	53	0.0	-67.97	401.36	5.84	-62.13
CC[NH+]1CCN(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)CC1	REAL300020303897	0	57	0.0	-63.65	429.05	6.65	-57.00
CC[NH+]1CCN(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)CC1	REAL300020303897	1	57	0.0	-63.66	429.10	6.66	-57.00
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)CC1	REAL300020303898	0	54	0.0	-64.44	403.78	6.14	-58.30
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)CC1	REAL300020303898	1	54	0.0	-64.43	403.84	6.15	-58.28
CC1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303915	0	55	0.0	-68.57	427.44	10.31	-58.26
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303915	1	55	0.0	-69.25	427.65	10.32	-58.93
CC1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303916	0	52	0.0	-67.90	415.77	8.76	-59.14
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303916	1	52	0.0	-66.47	401.43	9.56	-56.91
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303926	0	55	0.0	-69.92	432.44	9.38	-60.54
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303926	1	55	0.0	-69.32	427.44	10.31	-59.01
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303927	0	52	0.0	-67.85	415.82	8.74	-59.11
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303927	1	52	0.0	-66.58	401.01	9.52	-57.06
CN(CC(C)(C)C[NH+]1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304007	1	58	0.0	-65.51	418.11	8.07	-57.44
CN(CC(C)(C)C[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304008	1	55	0.0	-64.21	395.89	7.57	-56.64
CC(C1=CSC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304058	1	49	0.0	-61.66	398.39	8.58	-53.08
CCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304159	1	52	0.0	-65.18	409.91	6.85	-58.33
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304160	1	49	0.0	-62.63	387.93	6.25	-56.38
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020304164	0	52	0.0	-65.88	398.02	8.27	-57.61
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020304164	1	52	0.0	-65.93	398.08	8.29	-57.64
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020304165	0	49	0.0	-64.81	376.41	7.69	-57.12
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020304165	1	49	0.0	-64.81	376.47	7.70	-57.11
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020304167	1	46	0.0	-63.09	367.38	7.65	-55.44
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020304168	1	43	0.0	-59.17	336.12	7.02	-52.15
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020304169	1	50	0.0	-68.07	399.01	9.70	-58.37
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020304208	0	56	0.0	-63.50	431.90	8.42	-55.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020304208	1	56	0.0	-63.54	431.95	8.43	-55.11
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304229	0	54	0.0	-68.09	408.25	8.84	-59.25
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304229	1	54	0.0	-68.58	405.40	8.63	-59.95
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304229	1	54	0.0	-68.10	408.30	8.85	-59.25
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304229	1	54	0.0	-68.60	405.46	8.64	-59.96
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304230	0	51	0.0	-66.12	391.55	8.21	-57.91
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304230	1	51	0.0	-68.75	388.69	7.98	-60.77
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304230	1	51	0.0	-66.11	391.61	8.24	-57.87
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304230	1	51	0.0	-68.79	388.75	8.01	-60.78
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304305	0	51	0.0	-68.52	394.70	6.51	-62.01
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304305	1	51	0.0	-68.56	394.75	6.52	-62.04
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304306	0	48	0.0	-69.20	373.59	5.95	-63.25
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304306	1	48	0.0	-69.26	373.65	5.97	-63.29
CC(C)[NH2+]C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304307	0	55	0.0	-74.00	414.45	8.67	-65.33
CC(C)[NH2+]C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304307	1	55	0.0	-73.98	414.47	8.65	-65.33
CC[NH+](CC)CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304327	0	55	0.0	-68.62	423.91	6.94	-61.68
O=C(C[NH+]1CCCC1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304328	0	53	0.0	-70.06	416.73	6.94	-63.12
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304374	0	51	0.0	-64.90	398.55	8.22	-56.68
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304374	1	51	0.0	-64.89	398.61	8.24	-56.65
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304375	0	48	0.0	-62.22	372.45	7.51	-54.71
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304375	1	48	0.0	-62.16	372.51	7.53	-54.63
CC(C)C[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304376	0	55	0.0	-70.93	421.60	10.39	-60.54
CC(C)C[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304376	1	55	0.0	-70.89	421.64	10.39	-60.50
N#CC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020304380	1	50	0.0	-78.93	413.15	9.32	-69.61
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020304381	1	53	0.0	-65.91	409.26	7.22	-58.69
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020304382	1	50	0.0	-64.14	387.42	6.61	-57.53
CC1=CC=CC(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020304383	1	55	0.0	-68.60	436.08	10.26	-58.34
CC1=CC=CC(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020304384	1	52	0.0	-66.56	414.10	9.67	-56.89
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304388	0	54	0.0	-64.55	407.34	8.39	-56.16
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304388	1	54	0.0	-64.55	407.40	8.41	-56.14
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304389	0	51	0.0	-63.74	385.84	7.61	-56.13
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304389	1	51	0.0	-63.76	385.89	7.63	-56.13
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020304397	0	56	0.0	-70.39	431.14	7.73	-62.66
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020304397	1	56	0.0	-70.36	431.08	7.72	-62.64
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020304398	0	53	0.0	-67.31	405.20	7.02	-60.29
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020304398	1	53	0.0	-67.34	405.25	7.03	-60.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020304404	0	49	0.0	-63.63	379.13	8.08	-55.55
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020304405	0	46	0.0	-60.66	362.15	7.37	-53.29
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020304405	1	46	0.0	-60.67	362.21	7.39	-53.28
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020304406	0	53	0.0	-68.77	415.83	10.27	-58.50
CC1CCC([NH+]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)CC1	REAL300020304409	0	58	0.0	-64.72	430.95	9.38	-55.34
CC1CCC([NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)CC1	REAL300020304409	1	58	0.0	-64.77	431.03	9.40	-55.37
CC1CCC([NH+]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)CC1	REAL300020304410	0	55	0.0	-62.72	413.14	8.72	-54.00
CC1CCC([NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)CC1	REAL300020304410	1	55	0.0	-62.74	413.20	8.75	-53.99
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020304469	0	49	0.0	-65.90	390.89	8.33	-57.57
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020304469	1	49	0.0	-65.91	390.95	8.34	-57.57
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020304470	0	46	0.0	-63.98	369.38	7.54	-56.44
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020304470	1	46	0.0	-64.00	369.44	7.57	-56.43
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020304471	0	53	0.0	-71.97	414.52	10.49	-61.48
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020304471	1	53	0.0	-71.93	414.57	10.48	-61.45
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304504	1	55	0.0	-65.72	421.08	6.98	-58.74
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304504	1	55	0.0	-64.86	417.55	7.20	-57.66
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304505	1	52	0.0	-60.73	399.27	6.36	-54.37
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304505	1	52	0.0	-62.32	396.02	6.42	-55.90
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1[NH+]1CCOCC1	REAL300020304506	1	53	0.0	-64.03	406.69	6.65	-57.38
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1[NH+]1CCOCC1	REAL300020304507	1	50	0.0	-65.36	380.07	5.88	-59.48
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)CC1	REAL300020304508	0	57	0.0	-63.43	417.07	6.45	-56.98
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)CC1	REAL300020304508	1	57	0.0	-63.43	417.13	6.47	-56.96
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304547	0	57	0.0	-65.80	428.81	9.30	-56.50
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304547	1	57	0.0	-66.87	426.73	9.32	-57.55
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304547	1	57	0.0	-65.81	428.87	9.31	-56.50
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304547	1	57	0.0	-66.87	426.79	9.34	-57.53
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304548	0	54	0.0	-67.22	406.48	8.91	-58.31
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304548	1	54	0.0	-64.43	406.72	8.74	-55.69
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304548	1	54	0.0	-67.21	406.53	8.92	-58.29
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304548	1	54	0.0	-64.49	406.77	8.74	-55.75
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304559	0	57	0.0	-66.63	432.44	9.07	-57.56
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304559	1	57	0.0	-66.66	432.50	9.08	-57.58
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304560	0	54	0.0	-63.92	410.25	8.49	-55.43
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304560	1	54	0.0	-64.00	410.31	8.51	-55.49
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020304571	0	56	0.0	-63.01	426.04	9.73	-53.28
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020304571	1	56	0.0	-64.50	413.50	9.23	-55.27
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020304571	1	56	0.0	-63.07	426.10	9.75	-53.32
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020304571	1	56	0.0	-64.51	413.56	9.24	-55.27
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020304572	0	53	0.0	-63.00	399.60	8.65	-54.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020304572	1	53	0.0	-62.36	398.88	8.79	-53.57
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020304572	1	53	0.0	-62.99	399.63	8.67	-54.32
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020304572	1	53	0.0	-62.32	398.94	8.81	-53.51
CC1CC[NH+](CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)CC1	REAL300020304584	0	58	0.0	-59.37	438.15	10.09	-49.28
CC1CC[NH+](CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)CC1	REAL300020304584	1	58	0.0	-59.39	438.21	10.11	-49.28
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304585	0	58	0.0	-61.77	434.04	9.98	-51.79
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304585	1	58	0.0	-61.49	425.03	9.60	-51.89
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304585	1	58	0.0	-61.78	434.10	10.00	-51.78
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304585	1	58	0.0	-61.50	425.09	9.63	-51.87
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020304589	0	49	0.0	-63.88	378.54	7.89	-55.99
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020304589	1	49	0.0	-62.91	378.52	7.88	-55.03
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020304589	1	49	0.0	-63.85	378.60	7.91	-55.94
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020304589	1	49	0.0	-62.87	378.58	7.90	-54.97
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020304590	0	46	0.0	-62.24	340.31	6.71	-55.53
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020304590	1	46	0.0	-59.61	357.17	7.09	-52.52
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020304590	1	46	0.0	-62.30	340.36	6.70	-55.60
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020304590	1	46	0.0	-59.65	357.22	7.11	-52.54
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020304591	0	53	0.0	-68.66	408.85	9.99	-58.67
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020304591	1	53	0.0	-67.55	411.12	9.82	-57.73
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020304591	1	53	0.0	-68.66	408.80	10.00	-58.66
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020304591	1	53	0.0	-67.58	411.14	9.82	-57.76
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020304631	0	55	0.0	-64.71	413.94	9.03	-55.68
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020304631	1	55	0.0	-64.67	414.00	9.04	-55.63
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020304632	0	52	0.0	-63.36	392.00	8.43	-54.93
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020304632	1	52	0.0	-63.34	392.05	8.44	-54.90
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020304640	1	53	0.0	-70.86	403.86	6.79	-64.07
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020304641	1	50	0.0	-69.38	381.17	6.33	-63.05
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020304651	0	55	0.0	-63.83	407.62	8.93	-54.90
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020304651	1	55	0.0	-63.82	407.68	8.94	-54.88
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020304652	0	52	0.0	-60.47	385.53	8.39	-52.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020304652	1	52	0.0	-60.47	385.58	8.41	-52.06
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020304708	1	56	0.0	-69.37	416.36	7.24	-62.13
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020304709	1	53	0.0	-68.75	408.97	7.14	-61.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020304756	0	52	0.0	-63.18	396.15	8.50	-54.68
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020304756	1	52	0.0	-63.17	396.21	8.51	-54.66
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020304757	0	49	0.0	-62.64	369.04	7.81	-54.83
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020304757	1	49	0.0	-62.64	369.10	7.84	-54.80
CC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304760	0	55	0.0	-67.86	430.74	10.24	-57.62
CC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304761	0	52	0.0	-66.56	413.00	9.60	-56.96
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304766	0	55	0.0	-62.45	425.53	10.17	-52.28
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304766	1	55	0.0	-62.47	425.59	10.18	-52.29
C[N@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304771	0	55	0.0	-69.05	435.73	10.32	-58.73
C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304771	1	55	0.0	-67.62	424.24	10.20	-57.42
C[N@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304771	1	55	0.0	-69.09	435.79	10.34	-58.75
C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304771	1	55	0.0	-67.63	424.30	10.22	-57.41
C[N@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304772	0	52	0.0	-65.73	404.79	9.55	-56.18
C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304772	1	52	0.0	-67.00	404.23	9.54	-57.46
C[N@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304772	1	52	0.0	-65.77	404.85	9.57	-56.20
C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304772	1	52	0.0	-67.02	404.29	9.57	-57.45
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304788	0	54	0.0	-66.04	405.32	8.65	-57.39
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304788	1	54	0.0	-66.07	405.37	8.66	-57.41
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304789	0	51	0.0	-66.74	378.39	7.96	-58.78
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304789	1	51	0.0	-66.75	378.44	7.99	-58.76
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020304807	0	56	0.0	-65.37	414.74	9.76	-55.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020304807	1	56	0.0	-65.35	414.68	9.75	-55.60
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020304808	0	53	0.0	-59.48	386.11	9.31	-50.17
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020304808	1	53	0.0	-59.41	386.18	9.31	-50.10
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020304841	0	55	0.0	-61.73	421.54	10.07	-51.66
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020304841	1	55	0.0	-61.70	421.28	10.08	-51.62
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020304841	1	55	0.0	-61.72	421.59	10.10	-51.62
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020304841	1	55	0.0	-61.70	421.34	10.10	-51.60
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020304842	0	55	0.0	-61.06	413.25	9.21	-51.85
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020304842	1	55	0.0	-61.05	413.31	9.23	-51.82
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020304843	0	52	0.0	-61.03	395.23	8.54	-52.49
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020304843	1	52	0.0	-61.04	395.29	8.56	-52.48
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020304862	1	49	0.0	-66.56	404.64	8.69	-57.87
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020304863	1	46	0.0	-65.74	387.66	8.09	-57.65
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020304887	1	55	0.0	-66.18	420.65	7.05	-59.13
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020304887	1	55	0.0	-67.26	428.03	7.15	-60.11
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020304888	1	52	0.0	-66.76	404.46	6.50	-60.26
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020304888	1	52	0.0	-66.12	406.95	6.49	-59.63
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020304976	0	53	0.0	-71.05	410.95	6.77	-64.28
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020304976	1	53	0.0	-71.08	411.01	6.79	-64.29
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020304977	0	50	0.0	-68.68	388.98	6.18	-62.50
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020304977	1	50	0.0	-68.68	389.04	6.20	-62.48
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020304990	0	55	0.0	-64.40	426.88	10.23	-54.17
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020304990	1	55	0.0	-62.61	414.65	10.24	-52.37
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020304990	1	55	0.0	-64.45	426.93	10.26	-54.19
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020304990	1	55	0.0	-62.61	414.70	10.24	-52.37
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020305060	1	49	0.0	-68.88	408.25	8.65	-60.23
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020305061	1	46	0.0	-66.57	382.37	7.95	-58.62
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020305086	0	52	0.0	-60.56	399.64	8.56	-52.00
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020305086	1	52	0.0	-60.60	399.70	8.58	-52.02
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020305087	0	49	0.0	-61.07	380.84	7.84	-53.23
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020305087	1	49	0.0	-61.10	380.90	7.86	-53.24
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CCOC	REAL300020305094	0	58	0.0	-64.58	444.08	7.90	-56.68
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@H+]1CCOC	REAL300020305094	1	58	0.0	-64.16	437.28	8.10	-56.06
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CCOC	REAL300020305095	0	55	0.0	-63.22	405.62	6.71	-56.51
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1CCOC	REAL300020305095	1	55	0.0	-61.08	412.96	7.42	-53.66
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020305178	0	55	0.0	-70.08	440.81	10.55	-59.53
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020305178	1	55	0.0	-70.10	440.86	10.57	-59.53
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020305179	0	52	0.0	-66.81	414.98	9.86	-56.95
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020305179	1	52	0.0	-66.79	414.92	9.85	-56.94
COCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305184	1	49	0.0	-65.13	388.06	5.88	-59.25
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305185	1	46	0.0	-62.56	366.15	5.28	-57.28
CC(C)OCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305193	1	55	0.0	-65.21	430.19	7.60	-57.61
CC(C)OCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305194	1	52	0.0	-62.68	408.21	6.99	-55.69
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020305202	0	53	0.0	-67.34	409.05	6.74	-60.60
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020305202	1	53	0.0	-67.35	409.11	6.75	-60.60
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020305203	0	50	0.0	-64.23	378.81	5.81	-58.42
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020305203	1	50	0.0	-64.28	378.86	5.83	-58.45
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020305210	0	56	0.0	-70.23	426.80	7.80	-62.43
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020305211	0	53	0.0	-69.64	404.78	7.11	-62.53
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020305211	1	53	0.0	-69.65	404.84	7.14	-62.51
CCCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305212	0	60	0.0	-68.64	455.03	10.31	-58.33
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305212	1	60	0.0	-68.51	458.87	10.44	-58.07
CCCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305212	1	60	0.0	-68.61	455.09	10.33	-58.28
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305212	1	60	0.0	-68.53	458.93	10.46	-58.07
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305213	0	57	0.0	-67.86	433.30	9.70	-58.16
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305213	1	57	0.0	-67.16	433.02	9.75	-57.41
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305213	1	57	0.0	-67.89	433.36	9.72	-58.17
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305213	1	57	0.0	-67.17	433.08	9.76	-57.41
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020305214	0	58	0.0	-66.06	423.96	9.62	-56.44
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020305214	1	58	0.0	-66.08	424.02	9.63	-56.45
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020305218	0	49	0.0	-66.72	405.37	8.93	-57.79
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020305218	1	49	0.0	-66.74	405.43	8.94	-57.80
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305268	0	51	0.0	-61.10	388.43	7.52	-53.58
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305268	1	51	0.0	-61.11	388.49	7.53	-53.58
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305269	0	48	0.0	-57.98	362.55	6.81	-51.17
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305269	1	48	0.0	-58.04	362.61	6.83	-51.21
CC(C)(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305270	0	55	0.0	-66.27	415.41	9.49	-56.78
CC(C)(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305270	1	55	0.0	-66.18	415.45	9.50	-56.68
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020305314	0	53	0.0	-67.88	420.69	10.09	-57.79
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020305314	1	53	0.0	-67.87	420.76	10.12	-57.75
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C	REAL300020305315	0	48	0.0	-62.33	375.58	7.49	-54.84
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C	REAL300020305315	1	48	0.0	-63.61	362.74	7.32	-56.29
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C	REAL300020305316	0	45	0.0	-58.82	347.98	6.71	-52.11
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C	REAL300020305316	1	45	0.0	-58.77	342.34	6.80	-51.97
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C	REAL300020305316	1	45	0.0	-58.77	347.77	6.69	-52.08
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C	REAL300020305316	1	45	0.0	-58.78	342.28	6.79	-51.99
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1C	REAL300020305317	0	52	0.0	-67.73	402.23	9.45	-58.28
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1C	REAL300020305317	1	52	0.0	-68.35	399.75	9.43	-58.92
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305351	0	55	0.0	-68.49	439.87	10.26	-58.23
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305351	1	55	0.0	-64.21	437.74	10.29	-53.92
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305351	1	55	0.0	-68.46	439.93	10.28	-58.18
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305351	1	55	0.0	-64.23	437.80	10.32	-53.91
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020305411	0	55	0.0	-64.27	417.83	9.16	-55.11
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020305411	1	55	0.0	-64.29	417.78	9.15	-55.14
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020305412	0	52	0.0	-61.93	396.26	8.36	-53.57
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020305412	1	52	0.0	-61.91	396.32	8.39	-53.52
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020305417	0	52	0.0	-63.86	399.40	8.53	-55.33
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020305417	1	52	0.0	-63.87	399.45	8.54	-55.33
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020305418	0	49	0.0	-61.69	380.22	7.88	-53.81
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020305418	1	49	0.0	-61.69	380.28	7.91	-53.78
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020305419	0	58	0.0	-67.06	436.01	10.03	-57.03
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020305419	1	58	0.0	-67.06	436.07	10.04	-57.02
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020305420	0	55	0.0	-65.44	418.31	9.27	-56.17
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020305420	1	55	0.0	-65.44	418.37	9.30	-56.14
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305421	0	48	0.0	-62.70	372.51	7.18	-55.52
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305422	0	45	0.0	-60.21	350.53	6.59	-53.62
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305422	1	45	0.0	-60.18	350.48	6.58	-53.60
CC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305423	0	52	0.0	-68.13	399.21	9.04	-59.09
CC(C)(C)CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305451	0	60	0.0	-56.61	414.56	9.15	-47.46
CC(C)(C)CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305451	1	60	0.0	-56.64	414.62	9.16	-47.48
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305452	0	51	0.0	-62.42	390.18	7.93	-54.49
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305452	1	51	0.0	-62.47	390.23	7.94	-54.53
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305453	0	48	0.0	-59.48	365.03	7.15	-52.33
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305453	1	48	0.0	-59.52	365.08	7.17	-52.35
CCC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305454	0	55	0.0	-68.97	408.56	9.90	-59.07
CCC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305454	1	55	0.0	-68.94	408.59	9.89	-59.05
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020305457	0	56	0.0	-69.97	431.25	7.55	-62.42
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020305458	0	55	0.0	-68.28	415.60	9.81	-58.47
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020305458	1	55	0.0	-65.08	416.76	10.44	-54.64
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020305458	1	55	0.0	-68.35	415.65	9.84	-58.51
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020305458	1	55	0.0	-65.08	416.81	10.45	-54.63
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[N@@H+](C2CCC2)C1	REAL300020305473	0	55	0.0	-65.71	401.50	8.80	-56.91
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[N@H+](C2CCC2)C1	REAL300020305473	1	55	0.0	-65.26	416.46	9.74	-55.52
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@@H+](C2CCC2)C1	REAL300020305473	1	55	0.0	-65.72	401.57	8.81	-56.91
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@H+](C2CCC2)C1	REAL300020305473	1	55	0.0	-65.19	416.52	9.75	-55.44
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+](C2CCC2)C1	REAL300020305474	0	52	0.0	-59.57	390.51	8.29	-51.28
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+](C2CCC2)C1	REAL300020305474	1	52	0.0	-63.85	398.66	8.73	-55.12
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+](C2CCC2)C1	REAL300020305474	1	52	0.0	-59.56	390.56	8.30	-51.26
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+](C2CCC2)C1	REAL300020305474	1	52	0.0	-63.86	398.71	8.76	-55.10
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020305479	1	52	0.0	-68.51	414.66	9.58	-58.93
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020305480	1	49	0.0	-66.46	392.31	8.93	-57.53
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305484	0	51	0.0	-62.00	384.69	8.16	-53.84
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305484	1	51	0.0	-62.03	383.79	7.94	-54.09
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305484	1	51	0.0	-62.03	384.74	8.17	-53.86
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305484	1	51	0.0	-62.02	383.85	7.95	-54.07
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305485	0	48	0.0	-60.77	362.58	7.31	-53.46
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305485	1	48	0.0	-57.38	346.22	6.94	-50.44
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305485	1	48	0.0	-60.78	362.63	7.33	-53.45
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305485	1	48	0.0	-57.36	346.28	6.97	-50.39
CC(C)[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305486	0	55	0.0	-67.37	411.52	10.21	-57.16
CC(C)[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305486	1	55	0.0	-67.24	409.97	10.21	-57.03
CC(C)[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305486	1	55	0.0	-67.41	411.54	10.20	-57.21
CC(C)[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305486	1	55	0.0	-67.34	409.99	10.20	-57.14
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305487	0	54	0.0	-62.63	389.30	8.61	-54.02
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305487	1	54	0.0	-61.56	387.65	7.88	-53.68
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305487	1	54	0.0	-62.66	389.36	8.63	-54.03
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305487	1	54	0.0	-61.63	387.70	7.89	-53.74
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305488	0	51	0.0	-60.12	361.99	7.93	-52.19
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305488	1	51	0.0	-61.35	366.14	7.09	-54.26
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305488	1	51	0.0	-60.10	362.05	7.96	-52.14
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305488	1	51	0.0	-61.40	366.20	7.12	-54.28
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020305489	0	56	0.0	-68.03	417.45	7.49	-60.54
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020305489	1	56	0.0	-68.18	420.51	7.45	-60.73
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020305489	1	56	0.0	-68.02	417.50	7.50	-60.52
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020305489	1	56	0.0	-68.17	420.57	7.46	-60.71
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020305490	0	53	0.0	-65.10	399.25	6.77	-58.33
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020305490	1	53	0.0	-67.20	395.67	6.62	-60.58
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020305490	1	53	0.0	-65.12	399.30	6.79	-58.33
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020305490	1	53	0.0	-67.23	395.72	6.63	-60.60
COCC(COC)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305596	1	56	0.0	-64.56	433.80	6.79	-57.77
COCC(COC)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305597	1	53	0.0	-62.06	411.82	6.21	-55.85
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020305598	0	55	0.0	-65.99	430.48	10.35	-55.64
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020305598	1	55	0.0	-65.97	426.71	10.23	-55.74
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020305599	0	52	0.0	-64.21	409.00	9.57	-54.64
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020305599	1	52	0.0	-63.57	409.96	9.53	-54.04
COCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305655	0	55	0.0	-62.48	416.41	6.60	-55.88
COCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305656	0	52	0.0	-59.34	394.21	6.02	-53.32
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020305659	0	53	0.0	-61.90	416.83	9.82	-52.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020305659	1	53	0.0	-59.52	412.55	9.46	-50.06
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020305703	0	55	0.0	-60.63	415.82	7.06	-53.57
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020305703	1	55	0.0	-62.24	414.17	6.48	-55.76
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020305704	0	52	0.0	-58.26	391.31	6.51	-51.75
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020305704	1	52	0.0	-59.10	392.04	5.69	-53.41
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305725	0	54	0.0	-61.12	399.03	7.87	-53.25
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305725	1	54	0.0	-61.08	398.96	7.86	-53.22
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305726	0	51	0.0	-58.25	376.78	7.28	-50.97
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305726	1	51	0.0	-58.22	376.83	7.30	-50.92
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305740	0	51	0.0	-62.81	392.58	8.30	-54.51
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305740	1	51	0.0	-62.80	392.53	8.29	-54.51
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305741	0	48	0.0	-58.72	376.80	7.38	-51.34
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305741	1	48	0.0	-58.68	376.85	7.40	-51.28
CN(CC[NH+]1CCCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305742	0	55	0.0	-68.66	415.20	10.22	-58.44
CN(CC[NH+]1CCCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305742	1	55	0.0	-68.63	415.22	10.20	-58.43
COCCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305745	1	56	0.0	-66.60	443.54	6.11	-60.49
COCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305746	1	53	0.0	-64.13	421.55	5.51	-58.62
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020305753	1	52	0.0	-68.51	414.66	9.58	-58.93
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020305754	1	49	0.0	-66.46	392.31	8.93	-57.53
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020305829	1	50	0.0	-67.72	392.71	6.12	-61.60
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020305830	1	47	0.0	-65.54	367.34	5.40	-60.14
C[N@H+](CCC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305834	0	55	0.0	-68.25	421.61	10.33	-57.92
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305834	1	55	0.0	-67.28	421.61	10.35	-56.93
C[N@H+](CCC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305834	1	55	0.0	-68.26	421.67	10.36	-57.90
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305834	1	55	0.0	-67.31	421.66	10.38	-56.93
C[NH+](C)CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306099	0	55	0.0	-65.04	431.26	7.43	-57.61
C[NH+](C)CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306099	1	55	0.0	-65.07	431.31	7.44	-57.63
C[NH+](C)CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306100	0	52	0.0	-63.52	413.53	6.76	-56.76
C[NH+](C)CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306100	1	52	0.0	-63.58	413.58	6.79	-56.79
CCC1([NH+]2CCOCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306157	0	56	0.0	-67.68	394.55	6.16	-61.52
CCC1([NH+]2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306157	1	56	0.0	-67.70	394.60	6.18	-61.52
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306162	0	54	0.0	-67.45	386.58	7.49	-59.96
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306162	1	54	0.0	-67.51	386.63	7.50	-60.01
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306163	0	51	0.0	-65.83	367.92	6.92	-58.91
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306163	1	51	0.0	-65.82	367.98	6.95	-58.87
CC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306171	0	55	0.0	-63.57	407.78	8.42	-55.15
CC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306171	1	55	0.0	-63.60	407.83	8.43	-55.17
CC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306172	0	52	0.0	-65.34	374.44	7.73	-57.61
CC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306172	1	52	0.0	-65.37	374.50	7.75	-57.62
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306178	0	58	0.0	-63.29	413.82	8.57	-54.72
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306178	1	58	0.0	-63.30	413.88	8.58	-54.72
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306179	0	55	0.0	-62.26	395.46	7.90	-54.36
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306179	1	55	0.0	-62.25	395.52	7.92	-54.33
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306189	0	58	0.0	-64.47	435.22	7.03	-57.44
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306189	1	58	0.0	-64.49	435.28	7.05	-57.44
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306190	0	55	0.0	-68.02	422.64	6.56	-61.46
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306190	1	55	0.0	-67.99	422.70	6.58	-61.41
CC1([NH+]2CCOCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306194	0	56	0.0	-66.42	410.57	6.56	-59.86
CC1([NH+]2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306195	0	53	0.0	-65.13	392.83	5.91	-59.22
C[NH+]1CCC(N2C=C(NC3=NN=C(CCC4=NN=N[N-]4)N3CCF)C=N2)CC1	REAL300020306228	0	52	0.0	-79.15	412.07	9.35	-69.80
C[NH+]1CCC(N2C=C(NC3=NN=C(CCC4=N[N-]N=N4)N3CCF)C=N2)CC1	REAL300020306228	1	52	0.0	-79.15	412.01	9.34	-69.81
C[NH+]1CCC(N2C=C(NC3=NN=C(CC4=NN=N[N-]4)N3CCF)C=N2)CC1	REAL300020306229	0	49	0.0	-78.75	389.99	8.81	-69.94
C[NH+]1CCC(N2C=C(NC3=NN=C(CC4=N[N-]N=N4)N3CCF)C=N2)CC1	REAL300020306229	1	49	0.0	-78.71	389.93	8.80	-69.91
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC21	REAL300020306278	0	49	0.0	-66.24	376.67	7.32	-58.92
C[N@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC21	REAL300020306278	1	49	0.0	-68.23	366.18	6.97	-61.26
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC21	REAL300020306278	1	49	0.0	-66.21	376.72	7.34	-58.87
C[N@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC21	REAL300020306278	1	49	0.0	-68.31	366.23	6.99	-61.32
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC21	REAL300020306279	0	46	0.0	-65.30	358.94	6.65	-58.65
C[N@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC21	REAL300020306279	1	46	0.0	-65.08	363.59	6.87	-58.21
C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC21	REAL300020306279	1	46	0.0	-65.34	358.99	6.68	-58.66
C[N@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC21	REAL300020306279	1	46	0.0	-65.09	363.65	6.90	-58.19
C[N@@H+]1CCC2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CCC21	REAL300020306280	0	53	0.0	-70.46	407.58	9.81	-60.65
C[N@H+]1CCC2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CCC21	REAL300020306280	1	53	0.0	-73.50	393.37	8.96	-64.54
C[N@@H+]1CCC2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CCC21	REAL300020306280	1	53	0.0	-70.48	407.62	9.80	-60.68
C[N@H+]1CCC2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CCC21	REAL300020306280	1	53	0.0	-73.49	393.39	8.95	-64.54
CN1CC[NH+](C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)CC1	REAL300020306287	0	57	0.0	-65.80	430.50	6.46	-59.34
CN1CC[NH+](C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)CC1	REAL300020306287	1	57	0.0	-65.86	430.56	6.47	-59.39
CN1CC[NH+](C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)CC1	REAL300020306288	0	54	0.0	-65.72	408.11	6.06	-59.66
CN1CC[NH+](C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)CC1	REAL300020306288	1	54	0.0	-65.79	408.16	6.07	-59.72
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[N@@H+]1C	REAL300020306295	0	51	0.0	-66.60	374.73	7.71	-58.89
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[N@H+]1C	REAL300020306295	1	51	0.0	-64.06	387.02	7.53	-56.53
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@@H+]1C	REAL300020306295	1	51	0.0	-66.60	374.79	7.72	-58.88
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@H+]1C	REAL300020306295	1	51	0.0	-64.11	387.07	7.54	-56.57
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+]1C	REAL300020306296	0	48	0.0	-62.04	369.03	6.96	-55.08
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+]1C	REAL300020306296	1	48	0.0	-61.98	361.21	6.74	-55.24
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1C	REAL300020306296	1	48	0.0	-62.08	369.09	6.99	-55.09
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1C	REAL300020306296	1	48	0.0	-61.93	361.26	6.76	-55.17
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC[N@@H+]1C	REAL300020306297	0	55	0.0	-71.53	412.58	9.84	-61.69
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC[N@H+]1C	REAL300020306297	1	55	0.0	-71.28	403.52	9.53	-61.75
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC[N@@H+]1C	REAL300020306297	1	55	0.0	-71.56	412.59	9.85	-61.71
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC[N@H+]1C	REAL300020306297	1	55	0.0	-71.34	403.50	9.53	-61.81
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306333	0	60	0.0	-62.22	448.92	10.50	-51.72
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306333	1	60	0.0	-62.27	448.97	10.52	-51.75
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306334	0	57	0.0	-66.06	424.00	8.32	-57.74
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306334	1	57	0.0	-66.07	424.06	8.34	-57.73
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020306335	1	50	0.0	-68.67	403.47	6.17	-62.50
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2=CC=C[NH+]=C21	REAL300020306342	1	48	0.0	-58.89	379.88	5.66	-53.23
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2=CC=C[NH+]=C21	REAL300020306343	1	45	0.0	-46.79	351.19	5.73	-41.06
CC(C)(C)OCCC[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306378	0	58	0.0	-66.13	445.06	7.99	-58.14
CC(C)(C)OCCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306378	1	58	0.0	-66.16	445.12	8.00	-58.16
CCC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020306381	1	55	0.0	-66.44	435.20	10.37	-56.07
CC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306387	0	55	0.0	-64.67	429.59	10.22	-54.45
CC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306388	0	52	0.0	-61.34	407.61	9.63	-51.71
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306391	0	58	0.0	-62.50	410.04	8.80	-53.70
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306391	1	58	0.0	-62.51	410.10	8.82	-53.69
C[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306392	0	48	0.0	-66.47	349.95	6.62	-59.85
C[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306392	1	48	0.0	-62.73	369.82	7.22	-55.51
C[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306393	0	45	0.0	-62.20	344.99	6.55	-55.65
C[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306393	1	45	0.0	-60.49	348.26	6.42	-54.07
C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306393	1	45	0.0	-62.23	345.05	6.57	-55.66
C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306393	1	45	0.0	-60.48	348.32	6.45	-54.03
C[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1(C)C	REAL300020306394	0	52	0.0	-72.16	382.04	8.68	-63.48
C[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1(C)C	REAL300020306394	1	52	0.0	-67.51	396.85	9.20	-58.31
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306451	0	58	0.0	-63.72	419.88	9.21	-54.51
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306451	1	58	0.0	-63.70	419.94	9.23	-54.47
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306452	0	55	0.0	-62.32	401.36	8.53	-53.79
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306452	1	55	0.0	-62.34	401.41	8.55	-53.79
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306545	0	55	0.0	-65.70	404.51	8.70	-57.00
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306545	1	55	0.0	-65.70	404.57	8.72	-56.98
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306546	0	52	0.0	-65.56	371.86	7.23	-58.33
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306546	1	52	0.0	-65.56	371.92	7.26	-58.30
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@]2(C)C1	REAL300020306611	0	49	0.0	-66.42	378.19	7.33	-59.09
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@]2(C)C1	REAL300020306611	1	49	0.0	-66.02	375.06	7.74	-58.28
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@]2(C)C1	REAL300020306611	1	49	0.0	-66.43	378.25	7.35	-59.08
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@]2(C)C1	REAL300020306611	1	49	0.0	-66.00	375.11	7.76	-58.24
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@]2(C)C1	REAL300020306612	0	46	0.0	-62.67	356.74	6.55	-56.12
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@]2(C)C1	REAL300020306612	1	46	0.0	-64.02	352.49	6.88	-57.14
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@]2(C)C1	REAL300020306612	1	46	0.0	-62.70	356.79	6.58	-56.12
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@]2(C)C1	REAL300020306612	1	46	0.0	-64.05	352.55	6.90	-57.15
C[N@@H+]1C[C@@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)C[C@]2(C)C1	REAL300020306613	0	53	0.0	-70.84	406.04	9.27	-61.57
C[N@H+]1C[C@@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)C[C@]2(C)C1	REAL300020306613	1	53	0.0	-71.07	407.99	9.85	-61.22
C[N@@H+]1C[C@@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)C[C@]2(C)C1	REAL300020306613	1	53	0.0	-70.81	406.07	9.27	-61.54
C[N@H+]1C[C@@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)C[C@]2(C)C1	REAL300020306613	1	53	0.0	-71.10	408.02	9.84	-61.26
CC[N@@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306759	0	51	0.0	-60.62	386.91	8.05	-52.57
CC[N@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306759	1	51	0.0	-61.68	383.17	7.92	-53.76
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306759	1	51	0.0	-60.62	386.97	8.06	-52.56
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306759	1	51	0.0	-61.66	383.22	7.93	-53.73
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306760	0	48	0.0	-58.38	366.07	7.05	-51.33
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306760	1	48	0.0	-58.72	362.22	7.10	-51.62
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306760	1	48	0.0	-58.37	366.12	7.08	-51.29
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306760	1	48	0.0	-58.65	362.27	7.12	-51.53
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1(C)C	REAL300020306761	0	55	0.0	-66.81	411.15	10.00	-56.81
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1(C)C	REAL300020306761	1	55	0.0	-66.36	411.47	9.86	-56.50
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1(C)C	REAL300020306761	1	55	0.0	-66.80	411.12	10.00	-56.80
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1(C)C	REAL300020306761	1	55	0.0	-66.37	411.44	9.87	-56.50
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020306849	0	55	0.0	-66.36	425.96	10.43	-55.93
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020306849	1	55	0.0	-67.47	420.31	9.73	-57.74
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020306850	0	52	0.0	-64.38	405.14	9.62	-54.76
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020306850	1	52	0.0	-63.84	409.87	9.45	-54.39
C[NH+](C)C1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2C1	REAL300020306884	0	55	0.0	-67.30	407.87	8.75	-58.55
C[NH+](C)C1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2C1	REAL300020306884	1	55	0.0	-67.27	407.93	8.77	-58.50
C[NH+](C)C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2C1	REAL300020306885	0	52	0.0	-69.32	387.12	7.99	-61.33
C[NH+](C)C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2C1	REAL300020306885	1	52	0.0	-69.37	387.18	8.01	-61.36
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[N@H+](CC)CC1	REAL300020306903	0	59	0.0	-65.46	420.49	6.82	-58.64
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[N@@H+](CC)CC1	REAL300020306903	1	59	0.0	-65.87	420.36	6.77	-59.10
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@H+](CC)CC1	REAL300020306903	1	59	0.0	-65.46	420.55	6.83	-58.63
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@@H+](CC)CC1	REAL300020306903	1	59	0.0	-65.89	420.42	6.78	-59.11
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+](CC)CC1	REAL300020306904	0	56	0.0	-66.62	402.55	6.17	-60.45
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+](CC)CC1	REAL300020306904	1	56	0.0	-59.96	383.32	8.53	-51.43
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+](CC)CC1	REAL300020306904	1	56	0.0	-66.63	402.61	6.19	-60.44
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+](CC)CC1	REAL300020306904	1	56	0.0	-60.02	383.37	8.55	-51.47
CN(CCC[NH+]1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306942	1	52	0.0	-67.83	398.78	6.49	-61.34
CN(CCC[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306943	1	49	0.0	-68.67	389.82	5.78	-62.89
COC(=O)[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]1C[N@H+](C)CC2	REAL300020306951	0	52	0.0	-75.45	390.10	6.89	-68.56
COC(=O)[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]1C[N@@H+](C)CC2	REAL300020306951	1	52	0.0	-74.83	410.19	7.27	-67.56
COC(=O)[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]1C[N@H+](C)CC2	REAL300020306951	1	52	0.0	-75.44	390.16	6.91	-68.53
COC(=O)[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]1C[N@@H+](C)CC2	REAL300020306951	1	52	0.0	-74.86	410.26	7.30	-67.56
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306958	1	50	0.0	-64.67	401.42	9.28	-55.39
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306959	1	47	0.0	-64.37	379.47	8.68	-55.69
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC[NH+](C(C)(C)C)CC1	REAL300020306967	0	57	0.0	-61.00	423.25	8.04	-52.96
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC[NH+](C(C)(C)C)CC1	REAL300020306967	1	57	0.0	-61.03	423.30	8.05	-52.98
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC[NH+](C(C)(C)C)CC1	REAL300020306968	0	54	0.0	-61.91	401.73	7.25	-54.66
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC[NH+](C(C)(C)C)CC1	REAL300020306968	1	54	0.0	-61.98	401.79	7.28	-54.70
C[NH+]1CC23CN(C4=NN=C(CCC5=N[N-]N=N5)N4CCF)CC2(C1)CCCC3	REAL300020307028	0	56	0.0	-66.90	410.75	9.33	-57.57
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FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020307863	1	56	0.0	-64.20	420.32	7.69	-56.51
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CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307885	0	54	0.0	-64.68	406.92	8.26	-56.42
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307885	1	54	0.0	-65.11	402.60	8.29	-56.82
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307885	1	54	0.0	-64.72	406.97	8.28	-56.44
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307885	1	54	0.0	-65.14	402.66	8.30	-56.84
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307886	0	51	0.0	-63.88	385.41	7.50	-56.38
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307886	1	51	0.0	-64.51	380.68	7.71	-56.80
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307886	1	51	0.0	-63.92	385.47	7.52	-56.40
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307886	1	51	0.0	-64.53	380.74	7.73	-56.80
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020308823	1	59	0.0	-64.16	449.79	7.81	-56.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020308824	0	56	0.0	-66.15	424.47	7.28	-58.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020308824	1	56	0.0	-66.18	424.52	7.30	-58.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020308840	0	54	0.0	-68.04	436.46	9.90	-58.14
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CSC=C2)CC1	REAL300020308973	1	51	0.0	-63.65	411.13	9.45	-54.20
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCC)CC1	REAL300020309064	1	51	0.0	-63.50	408.69	7.39	-56.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020309068	0	54	0.0	-65.89	418.72	9.41	-56.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020309068	1	54	0.0	-65.86	418.78	9.43	-56.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020309069	0	51	0.0	-65.65	397.11	8.83	-56.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020309069	1	51	0.0	-65.65	397.17	8.85	-56.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020309070	1	48	0.0	-63.05	388.07	8.80	-54.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020309071	1	45	0.0	-60.32	361.33	8.13	-52.19
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020309072	1	52	0.0	-67.67	419.71	10.83	-56.84
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020309104	0	58	0.0	-65.57	452.60	9.56	-56.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020309104	1	58	0.0	-65.56	452.66	9.58	-55.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020309124	0	56	0.0	-68.54	428.94	9.98	-58.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020309124	1	56	0.0	-68.96	426.09	9.77	-59.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020309124	1	56	0.0	-68.60	428.99	10.00	-58.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020309124	1	56	0.0	-68.96	426.15	9.78	-59.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020309125	0	53	0.0	-66.76	412.24	9.35	-57.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020309125	1	53	0.0	-69.26	409.38	9.12	-60.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020309125	1	53	0.0	-66.77	412.30	9.38	-57.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020309125	1	53	0.0	-69.27	409.44	9.15	-60.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020309192	0	53	0.0	-68.82	415.19	7.63	-61.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020309192	1	53	0.0	-68.83	415.25	7.64	-61.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020309193	0	50	0.0	-68.74	393.26	7.02	-61.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020309193	1	50	0.0	-68.68	393.32	7.03	-61.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300020309209	0	55	0.0	-70.24	437.42	8.08	-62.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020309248	0	53	0.0	-64.79	419.24	9.37	-55.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020309248	1	53	0.0	-64.81	419.30	9.38	-55.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020309249	0	50	0.0	-63.05	393.10	8.66	-54.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020309249	1	50	0.0	-63.04	393.15	8.68	-54.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020309252	1	55	0.0	-65.75	429.95	8.36	-57.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020309253	1	52	0.0	-64.76	408.11	7.75	-57.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020309254	1	54	0.0	-67.07	434.55	10.83	-56.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020309258	0	56	0.0	-64.80	428.03	9.53	-55.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020309258	1	56	0.0	-64.81	428.09	9.55	-55.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020309259	0	53	0.0	-64.35	406.53	8.73	-55.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020309259	1	53	0.0	-64.29	406.59	8.76	-55.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020309267	0	58	0.0	-70.11	451.83	8.88	-61.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020309267	1	58	0.0	-70.12	451.78	8.86	-61.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020309268	0	55	0.0	-68.05	425.85	8.16	-59.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020309268	1	55	0.0	-68.00	425.90	8.18	-59.82
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020309274	0	51	0.0	-63.68	399.82	9.21	-54.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020309275	0	48	0.0	-61.51	382.85	8.52	-52.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020309275	1	48	0.0	-61.54	382.91	8.53	-53.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020309278	0	60	0.0	-64.65	451.65	10.53	-54.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020309278	1	60	0.0	-64.63	451.71	10.54	-54.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020309279	0	57	0.0	-62.69	433.84	9.87	-52.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020309279	1	57	0.0	-62.70	433.89	9.89	-52.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020309332	0	51	0.0	-65.73	411.60	9.47	-56.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020309332	1	51	0.0	-65.73	411.65	9.49	-56.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020309333	0	48	0.0	-63.95	390.07	8.69	-55.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020309333	1	48	0.0	-63.99	390.13	8.71	-55.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020309360	1	57	0.0	-65.54	441.79	8.11	-57.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020309360	1	57	0.0	-64.93	438.23	8.34	-56.59
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020309361	1	54	0.0	-61.12	419.96	7.52	-53.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020309361	1	54	0.0	-62.55	416.72	7.56	-54.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020309362	1	55	0.0	-64.46	418.95	7.68	-56.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020309363	1	52	0.0	-65.13	400.76	7.03	-58.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020309364	0	59	0.0	-65.27	437.75	7.60	-57.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020309364	1	59	0.0	-65.23	437.81	7.61	-57.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020309397	0	59	0.0	-66.45	449.47	10.45	-56.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020309397	1	59	0.0	-67.44	447.42	10.47	-56.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020309397	1	59	0.0	-66.45	449.53	10.46	-55.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020309397	1	59	0.0	-67.48	447.47	10.48	-57.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020309398	0	56	0.0	-68.79	427.17	10.04	-58.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020309398	1	56	0.0	-66.14	427.41	9.88	-56.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020309398	1	56	0.0	-68.79	427.22	10.06	-58.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020309398	1	56	0.0	-66.17	427.47	9.90	-56.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020309411	0	59	0.0	-66.69	453.13	10.21	-56.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020309411	1	59	0.0	-66.68	453.18	10.23	-56.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020309412	0	56	0.0	-64.75	430.90	9.64	-55.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020309412	1	56	0.0	-64.77	430.95	9.65	-55.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020309423	0	58	0.0	-63.39	446.73	10.88	-52.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020309423	1	58	0.0	-64.72	434.19	10.37	-54.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020309423	1	58	0.0	-63.40	446.79	10.89	-52.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020309423	1	58	0.0	-64.72	434.24	10.38	-54.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020309424	0	55	0.0	-63.52	420.29	9.78	-53.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020309424	1	55	0.0	-63.04	419.58	9.93	-53.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020309424	1	55	0.0	-63.62	420.34	9.81	-53.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020309424	1	55	0.0	-62.99	419.64	9.96	-53.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020309438	0	60	0.0	-62.95	459.53	11.08	-51.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020309438	1	60	0.0	-62.94	459.59	11.10	-51.84
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020309439	0	60	0.0	-61.91	454.72	11.12	-50.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020309439	1	60	0.0	-61.30	448.60	10.63	-50.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020309439	1	60	0.0	-61.90	454.77	11.15	-50.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020309439	1	60	0.0	-61.36	448.65	10.65	-50.71
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020309443	0	51	0.0	-63.82	399.23	9.04	-54.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020309443	1	51	0.0	-62.97	399.21	9.03	-53.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020309443	1	51	0.0	-63.83	399.29	9.05	-54.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020309443	1	51	0.0	-62.96	399.27	9.04	-53.92
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020309676	1	54	0.0	-58.02	413.09	9.63	-48.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020309695	1	51	0.0	-66.46	425.32	9.84	-56.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020309696	1	48	0.0	-65.66	408.34	9.23	-56.43
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020309876	1	51	0.0	-68.74	428.95	9.80	-58.94
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020309975	0	54	0.0	-67.45	435.57	10.99	-56.46
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020310005	1	55	0.0	-70.38	425.53	8.27	-62.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020310006	0	62	0.0	-69.19	475.71	11.46	-57.73
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020310007	1	59	0.0	-69.42	454.06	10.86	-58.56
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020310182	0	54	0.0	-63.84	420.09	9.67	-54.17
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020310183	0	51	0.0	-61.91	398.12	9.08	-52.83
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020310184	0	60	0.0	-66.89	456.70	11.17	-55.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020310184	1	60	0.0	-66.87	456.76	11.19	-55.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020310185	0	57	0.0	-64.58	434.78	10.56	-54.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020310185	1	57	0.0	-64.57	434.84	10.58	-53.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020310186	0	50	0.0	-62.68	393.20	8.33	-54.35
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020311082	0	60	0.0	-63.11	430.74	9.93	-53.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020311082	1	60	0.0	-63.06	430.79	9.96	-53.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020311083	0	50	0.0	-66.57	370.62	7.76	-58.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020311083	1	50	0.0	-62.80	390.51	8.38	-54.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020311084	0	47	0.0	-62.29	365.74	7.72	-54.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020311084	1	47	0.0	-60.74	369.00	7.60	-53.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020311084	1	47	0.0	-62.27	365.68	7.69	-54.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020311084	1	47	0.0	-60.74	368.95	7.57	-53.17
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020311085	0	54	0.0	-71.86	402.82	9.77	-62.09
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020311136	0	60	0.0	-63.99	440.57	10.36	-53.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020311136	1	60	0.0	-64.00	440.63	10.37	-53.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020311137	0	57	0.0	-62.85	422.09	9.67	-53.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020311137	1	57	0.0	-62.87	422.15	9.71	-53.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020311221	0	57	0.0	-65.78	425.20	9.85	-55.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020311221	1	57	0.0	-65.77	425.25	9.86	-55.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020311222	0	54	0.0	-66.08	392.59	8.37	-57.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020311222	1	54	0.0	-66.10	392.65	8.39	-57.71
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020311279	0	51	0.0	-67.98	396.23	8.30	-59.68
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020311279	1	51	0.0	-66.54	390.87	8.72	-57.82
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020311279	1	51	0.0	-67.95	396.29	8.31	-59.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020311279	1	51	0.0	-66.54	390.93	8.73	-57.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020311280	0	48	0.0	-70.27	372.03	7.79	-62.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020311280	1	48	0.0	-66.36	368.85	8.18	-58.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020311280	1	48	0.0	-70.25	372.08	7.81	-62.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020311280	1	48	0.0	-66.37	368.91	8.20	-58.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020311416	0	53	0.0	-60.71	404.33	8.89	-51.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020311416	1	53	0.0	-61.73	403.85	9.06	-52.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020311416	1	53	0.0	-60.71	404.38	8.90	-51.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020311416	1	53	0.0	-61.66	403.91	9.08	-52.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020311417	0	50	0.0	-58.59	386.77	8.20	-50.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020311417	1	50	0.0	-59.14	382.91	8.24	-50.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020311417	1	50	0.0	-58.54	386.83	8.22	-50.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020311417	1	50	0.0	-59.13	382.96	8.27	-50.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020311495	0	54	0.0	-65.42	426.17	10.84	-54.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020311495	1	54	0.0	-62.75	424.06	10.79	-51.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020311526	0	57	0.0	-68.12	428.56	9.89	-58.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020311526	1	57	0.0	-68.11	428.61	9.90	-58.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020311527	0	54	0.0	-70.15	407.82	9.14	-61.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020311527	1	54	0.0	-70.13	407.87	9.16	-60.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020311544	0	58	0.0	-66.65	423.25	7.31	-59.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020311544	1	58	0.0	-60.71	403.15	9.66	-51.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020311544	1	58	0.0	-66.68	423.31	7.34	-59.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020311544	1	58	0.0	-60.78	403.21	9.68	-51.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020311580	1	54	0.0	-68.21	419.49	7.63	-60.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020311581	1	51	0.0	-68.80	410.51	6.92	-61.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020311589	0	54	0.0	-76.41	419.28	8.12	-68.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020311589	1	54	0.0	-61.92	426.11	8.45	-53.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020311589	1	54	0.0	-76.42	419.34	8.15	-68.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020311589	1	54	0.0	-61.93	426.16	8.47	-53.46
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020311596	1	52	0.0	-65.33	422.11	10.42	-54.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020311597	1	49	0.0	-66.29	400.16	9.82	-56.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020311603	0	59	0.0	-60.95	443.94	9.18	-51.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020311603	1	59	0.0	-60.94	443.99	9.19	-51.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020311604	0	56	0.0	-62.01	422.42	8.40	-53.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020311604	1	56	0.0	-62.01	422.48	8.42	-53.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020311659	0	58	0.0	-67.07	431.44	10.45	-56.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020311659	1	58	0.0	-67.04	431.49	10.47	-56.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020311660	0	55	0.0	-68.95	404.37	9.75	-59.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020311660	1	55	0.0	-68.97	404.43	9.77	-59.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020311773	0	53	0.0	-71.21	425.46	8.48	-62.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020311773	1	53	0.0	-71.21	425.54	8.51	-62.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020312076	0	51	0.0	-65.48	406.23	9.37	-56.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020312076	1	51	0.0	-64.62	402.46	8.91	-55.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020312077	0	48	0.0	-65.20	377.70	8.84	-56.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020312077	1	48	0.0	-63.74	384.62	8.24	-55.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020312077	1	48	0.0	-65.25	377.75	8.87	-56.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020312077	1	48	0.0	-63.76	384.69	8.28	-55.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020312081	0	55	0.0	-67.16	412.00	9.26	-57.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020312081	1	55	0.0	-67.18	412.05	9.27	-57.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020312082	0	52	0.0	-61.96	386.70	8.54	-53.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020312082	1	52	0.0	-61.95	386.75	8.56	-53.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020312117	1	51	0.0	-61.68	396.60	9.05	-52.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020312117	1	51	0.0	-60.86	405.16	9.30	-51.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020312118	0	48	0.0	-60.66	384.06	8.57	-52.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020312118	1	48	0.0	-59.30	383.59	8.50	-50.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020312118	1	48	0.0	-60.69	384.12	8.60	-52.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020312118	1	48	0.0	-59.31	383.64	8.52	-50.79
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020312188	1	55	0.0	-66.97	441.97	4.88	-62.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020312189	1	52	0.0	-65.36	420.07	4.27	-61.09
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020312217	0	53	0.0	-62.40	431.13	7.88	-54.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020312217	1	53	0.0	-62.40	431.08	7.86	-54.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020312218	0	50	0.0	-62.75	409.27	7.28	-55.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020312218	1	50	0.0	-62.75	409.22	7.26	-55.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020312421	1	58	0.0	-64.31	441.00	8.83	-55.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020312422	1	55	0.0	-58.43	407.83	8.02	-50.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020312423	1	54	0.0	-67.01	434.15	10.77	-56.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020312441	0	56	0.0	-64.92	427.61	9.41	-55.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020312441	1	56	0.0	-65.42	423.29	9.43	-55.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020312441	1	56	0.0	-64.95	427.66	9.42	-55.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020312441	1	56	0.0	-65.44	423.35	9.44	-56.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020312442	0	53	0.0	-64.41	406.10	8.63	-55.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020312442	1	53	0.0	-65.71	401.37	8.86	-56.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020312442	1	53	0.0	-64.40	406.16	8.66	-55.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020312442	1	53	0.0	-65.69	401.43	8.87	-56.82